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Mineral Physics—In Memory of Orson Anderson
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Mineral Physics—In Memory of Orson Anderson

A special issue of Minerals (ISSN 2075-163X). This special issue belongs to the section "Crystallography and Physical Chemistry of Minerals & Nanominerals".

Deadline for manuscript submissions: closed (31 January 2020) | Viewed by 157685

Printed Edition Available!
A printed edition of this Special Issue is available here.

Special Issue Editor

Prof. Dr. Robert Cooper Liebermann

E-Mail Website
Guest Editor
Department of Geosciences and Mineral Physics Institute, Stony Brook University, Stony Brook, NY 11794-2100, USA
Interests: elasticity of minerals at high pressure and temperature; ultrasonic interferometry; multi-anvil, high-pressure apparatus; synchrotron X-radiation

Special Issue Information

Dear Colleagues,

This Special Issue is dedicated to Professor Orson L. Anderson on the occasion of his 95th birthday. This Special Issue is planned to include a representative group of experimental and theoretical papers in the field of mineral physics (and also rock physics).

Mineral physics is the study of mineralogical problems through the application of condensed matter physics. In reality, mineral physicists use not only physics, but also solid-state chemistry; they study not only minerals, but all materials related to natural minerals (e.g., structural analogs, but also glasses, melts and fluids).

We welcome contributions from all practitioners of this scientific discipline.

Please confirm your interest in submitting a paper directly to the Guest Editor.

Prof. Dr. Robert Cooper Liebermann
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Minerals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

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Editorial

Jump to: Research, Review

8 pages, 1383 KiB  
Editorial
Cornell’s Role in Developing Synchrotron Radiation for Mineral Physics
by William A. Bassett
Minerals 2020, 10(6), 514; https://doi.org/10.3390/min10060514 - 01 Jun 2020
Viewed by 1708
Abstract
The newly invented diamond anvil cell (DAC) in 1960, and the newly constructed Cornell High Energy Synchrotron Source (CHESS) in 1979 were a perfect match, as CHESS could provide such an intense X-ray beam with such extraordinary properties that a whole new approach [...] Read more.
The newly invented diamond anvil cell (DAC) in 1960, and the newly constructed Cornell High Energy Synchrotron Source (CHESS) in 1979 were a perfect match, as CHESS could provide such an intense X-ray beam with such extraordinary properties that a whole new approach to mineral physics research became possible. The very high intensity of the X-ray beam from CHESS made it possible to make real-time observations of crystal structures during phase transitions for the first time. For instance, the olivine-spinel transition, important for understanding deep focus earthquakes can be shown to take place first by the displacive shift of oxygen layers supporting shear stress as most likely earthquake trigger followed by the diffusion of the cations to their positions in the spinel structure. X-ray emission spectra of high-pressure, high-temperature samples also made it possible to determine phase compositions, as well as the structures of complex ions in solution. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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9 pages, 3596 KiB  
Editorial
The Takahashi–Bassett Era of Mineral Physics at Rochester in the 1960s
by William A. Bassett
Minerals 2020, 10(4), 344; https://doi.org/10.3390/min10040344 - 12 Apr 2020
Viewed by 1971
Abstract
The late Taro Takahashi earned a particularly well-deserved reputation for his research at Lamont Geological Observatory on carbon dioxide and its transfer between the atmosphere and the oceans. However, his accomplishments in Mineral Physics, the field embracing the high-pressure–high-temperature properties of materials, has [...] Read more.
The late Taro Takahashi earned a particularly well-deserved reputation for his research at Lamont Geological Observatory on carbon dioxide and its transfer between the atmosphere and the oceans. However, his accomplishments in Mineral Physics, the field embracing the high-pressure–high-temperature properties of materials, has received less attention in spite of his major contributions to this emerging field focused on the interiors of Earth and other planets. In 1963, I was thrilled when he was offered a faculty position in the Geology Department at the University of Rochester, where I had recently joined the faculty. Taro and I worked together for the next 10 years with our talented students exploring the blossoming field just becoming known as Mineral Physics, the name introduced by Orson Anderson and Ed Schreiber, who were also engaged in measuring physical properties at high pressures and temperatures. While their specialty was ultrasonic velocities in minerals subjected to high pressures and temperatures, ours was the determination of crystal structures, compressibilities, and densities of such minerals as iron, its alloys, and silicate minerals, especially those synthesized at high-pressure, such as silicates with the spinel structure. These were materials expected to be found in the Earth’s interior and could therefore provide background for the interpretation of geophysical observations. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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8 pages, 2160 KiB  
Editorial
The Birth of Mineral Physics at the ANU in the 1970s
by Robert Cooper Liebermann
Minerals 2020, 10(2), 163; https://doi.org/10.3390/min10020163 - 12 Feb 2020
Cited by 3 | Viewed by 2234
Abstract
In 1970, I established the first mineral physics laboratory in Australia at the Australian National University (ANU) under the auspices of A.E. (Ted) Ringwood. Over the next six years, we published 25 research papers in peer-reviewed journals, many of them in collaboration with [...] Read more.
In 1970, I established the first mineral physics laboratory in Australia at the Australian National University (ANU) under the auspices of A.E. (Ted) Ringwood. Over the next six years, we published 25 research papers in peer-reviewed journals, many of them in collaboration with graduate students, Ian Jackson and Leonie Jones. This research was focused on measurements of sound velocities in minerals (and their structural analogues) at high pressures and temperatures, as well as studies of melting and elastic shear instabilities in materials and applications of these experimental data to interpreting seismic models of the Earth’s interior. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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20 pages, 6435 KiB  
Editorial
My Career as a Mineral Physicist at Stony Brook: 1976–2019
by Robert Cooper Liebermann
Minerals 2019, 9(12), 761; https://doi.org/10.3390/min9120761 - 07 Dec 2019
Cited by 4 | Viewed by 3309
Abstract
In 1976, I took up a faculty position in the Department of Geosciences of Stony Brook University. Over the next half century, in collaboration with graduate students from the U.S., China and Russia and postdoctoral colleagues from Australia, France and Japan, we pursued [...] Read more.
In 1976, I took up a faculty position in the Department of Geosciences of Stony Brook University. Over the next half century, in collaboration with graduate students from the U.S., China and Russia and postdoctoral colleagues from Australia, France and Japan, we pursued studies of the elastic properties of minerals (and their structural analogues) at high pressures and temperatures. In the 1980s, together with Donald Weidner, we established the Stony Brook High Pressure Laboratory and the Mineral Physics Institute. In 1991, in collaboration with Alexandra Navrotsky at Princeton University and Charles Prewitt at the Geophysical Laboratory, we founded the NSF Science and Technology Center for High Pressure Research. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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Research

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12 pages, 1838 KiB  
Article
Effects of Composition, Pressure, and Temperature on the Elastic Properties of SiO2–TiO2 Glasses: An Integrated Ultrasonic and Brillouin Study
by Murli H. Manghnani, Quentin Williams, Teruyuki Matsui, Peter C. Schultz and Charles R. Kurkjian
Minerals 2020, 10(5), 481; https://doi.org/10.3390/min10050481 - 25 May 2020
Cited by 4 | Viewed by 2455
Abstract
We have systematically investigated the elastic properties (ρ, VP, VS, K, μ and σ) of eight SiO2–TiO2 glasses, varying in composition from 1.3 to 14.7 wt% TiO2, as a function [...] Read more.
We have systematically investigated the elastic properties (ρ, VP, VS, K, μ and σ) of eight SiO2–TiO2 glasses, varying in composition from 1.3 to 14.7 wt% TiO2, as a function of pressure up to 0.5 GPa by the pulse superposition (PSP) ultrasonic technique, and two compositions (1.3 and 9.4 wt% TiO2) up to ~5.7 GPa by Brillouin scattering in a diamond anvil cell. The parameters were also measured after annealing to 1020 °C. Composition–elasticity relationships, except for K and σ, are more or less linear; the annealing simply makes the relationships more uniform (less scatter). There is excellent agreement between the ultrasonic and Brillouin measurements at ambient and high pressure. The pressure-induced anomalous elastic behavior (negative dVP/dP and dK/dP) becomes more negative (more compressible) with the increasing TiO2 content. Correspondingly, the acoustic Grüneisen parameters become more negative with increases in the TiO2 content, reaching a minimum near ~8–10 wt% TiO2. The comparison of the low- and high-pressure ultrasonic and Brillouin VP and VS in two glasses (1.3 and 9.4 wt% TiO2) shows excellent agreement, defining the reversible elastic behavior at low pressures and irreversible behavior at higher pressures (≥5.7 GPa) well. This result is consistent with our previous high-pressure Raman study showing an irreversible structural change in a similar pressure range. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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9 pages, 1224 KiB  
Article
Single Crystal Elastic Properties of Hemimorphite, a Novel Hydrous Silicate
by Yingzhe Li and Jay D. Bass
Minerals 2020, 10(5), 425; https://doi.org/10.3390/min10050425 - 10 May 2020
Cited by 2 | Viewed by 2288
Abstract
Hemimorphite, with the chemical formula Zn4Si2O7(OH)2·H2O, contains two different types of structurally bound hydrogen: molecular water and hydroxyl. The elastic properties of single-crystal hemimorphite have been determined by Brillouin spectroscopy at ambient conditions, [...] Read more.
Hemimorphite, with the chemical formula Zn4Si2O7(OH)2·H2O, contains two different types of structurally bound hydrogen: molecular water and hydroxyl. The elastic properties of single-crystal hemimorphite have been determined by Brillouin spectroscopy at ambient conditions, yielding tight constraints on all nine single-crystal elastic moduli (Cij). The Voigt–Reuss–Hill (VRH) averaged isotropic aggregate elastic moduli are KS (VRH) = 74(3) GPa and μ (VRH) = 27(2) GPa, for the adiabatic bulk modulus and shear modulus, respectively. The average of the Hashin–Shtrickman (HS) bounds are Ks (HS) = 74.2(7) GPa and and μ (HS) = 26.5(6) GPa. Hemimorphite displays a high degree of velocity anisotropy. As a result, differences between upper and lower bounds on aggregate properties are large and the main source of uncertainty in Ks and μ. The HS average P wave velocity is VP = 5.61(4) km/s, and the HS S-wave velocity is VS = 2.77(3) km/s. The high degree of elastic anisotropy among the on-diagonal longitudinal and pure shear moduli of hemimorphite are largely explained by its distinctive crystal structure. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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19 pages, 1608 KiB  
Article
Seismic Wave Speeds Derived from Nuclear Resonant Inelastic X-ray Scattering for Comparison with Seismological Observations
by Brent Delbridge and Miaki Ishii
Minerals 2020, 10(4), 331; https://doi.org/10.3390/min10040331 - 08 Apr 2020
Cited by 2 | Viewed by 3595
Abstract
Nuclear resonant inelastic X-ray scattering (NRIXS) experiments have been applied to Earth materials, and the Debye speed is often related to the material’s seismic wave speeds. However, for anisotropic samples, the Debye speed extracted from NRIXS measurements is not equal to the Debye [...] Read more.
Nuclear resonant inelastic X-ray scattering (NRIXS) experiments have been applied to Earth materials, and the Debye speed is often related to the material’s seismic wave speeds. However, for anisotropic samples, the Debye speed extracted from NRIXS measurements is not equal to the Debye speed obtained using the material’s isotropic seismic wave speeds. The latter provides an upper bound for the Debye speed of the material. Consequently, the acoustic wave speeds estimated from the Debye speed extracted from NRIXS (Nuclear Resonant Inelastic X-ray Scattering) measurements are underestimated compared to the material’s true seismic wave speeds. To illustrate the differences, the effects of various assumptions used to estimate the Debye speed, as well as seismic wave speeds, are examined with iron alloys at Earth’s inner core conditions. For the case of pure iron, the variation of the crystal orientation relative to the incoming X-ray beam causes a 40 % variation in the measured Debye speed, and leads to 3% and 31% underestimation in the compressional and shear wave speeds, respectively. Based upon various iron alloys, the error in the inferred seismic shear wave speed strongly depends upon the strength of anisotropy that can be quantified. We can also derive Debye speeds based upon seismological observations such as the PREM (Preliminary Reference Earth Model) and inner core anisotropy model. We show that these seismically derived Debye speeds are upper bounds for Debye speeds obtained from NRIXS experiments and that interpretation of the Debye speeds from the NRIXS measurements in terms of seismic wave speeds should be done with utmost caution. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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12 pages, 2804 KiB  
Article
Stability and Solid Solutions of Hydrous Alumino-Silicates in the Earth’s Mantle
by Wendy R. Panero and Razvan Caracas
Minerals 2020, 10(4), 330; https://doi.org/10.3390/min10040330 - 08 Apr 2020
Cited by 4 | Viewed by 3019
Abstract
The degree to which the Earth’s mantle stores and cycles water in excess of the storage capacity of nominally anhydrous minerals is dependent upon the stability of hydrous phases under mantle-relevant pressures, temperatures, and compositions. Two hydrous phases, phase D and phase H, [...] Read more.
The degree to which the Earth’s mantle stores and cycles water in excess of the storage capacity of nominally anhydrous minerals is dependent upon the stability of hydrous phases under mantle-relevant pressures, temperatures, and compositions. Two hydrous phases, phase D and phase H, are stable to the pressures and temperatures of the Earth’s lower mantle, suggesting that the Earth’s lower mantle may participate in the cycling of water. We build on our prior work of density functional theory calculations on phase H with the stability, structure, and bonding of hydrous phases D, and we predict the aluminum partitioning with H in the Al 2 O 3 -SiO 2 -MgO-H 2 O system. We address the solid solutions through a statistical sampling of site occupancy and calculation of the partition function from the grand canonical ensemble. We show that each phase has a wide solid solution series between MgSi 2 O 6 H 2 -Al 2 SiO 6 H 2 and MgSiO 4 H 2 -2 δ AlOOH + SiO 2 , in which phase H is more aluminum rich than phase D at a given bulk composition. We predict that the addition of Al to both phases D and H stabilizes each phase to higher temperatures through additional configurational entropy. While we have shown that phase H does not exhibit symmetric hydrogen bonding at high pressure, we report here that phase D undergoes a gradual increase in the number of symmetric H-bonds beginning at ∼30 GPa, and it is only ∼50% complete at 60 GPa. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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7 pages, 768 KiB  
Article
High-Pressure Raman and Infrared Spectroscopic Study of Prehnite
by Nancy L. Ross, Theresa A. Detrie and Zhenxian Liu
Minerals 2020, 10(4), 312; https://doi.org/10.3390/min10040312 - 31 Mar 2020
Cited by 8 | Viewed by 2469
Abstract
High-pressure Raman and infrared spectra of a natural sample of prehnite, with a chemical composition of Ca2(Al0.74,Fe0.26)2Si3O10(OH)2, are presented. Analyses of the spectra indicate that prehnite undergoes a reversible [...] Read more.
High-pressure Raman and infrared spectra of a natural sample of prehnite, with a chemical composition of Ca2(Al0.74,Fe0.26)2Si3O10(OH)2, are presented. Analyses of the spectra indicate that prehnite undergoes a reversible structural change between 6 and 8 GPa that is most likely associated with a subtle alteration in the orientation and/or deformation of the polyhedra comprising the framework of the structure. At pressures in excess of ~11 GPa, the high-pressure spectra indicate that prehnite undergoes a reversible phase transition involving the collapse of the framework structure. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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Graphical abstract

14 pages, 2207 KiB  
Article
Structure and Behavior of the Ni End-Member Schreibersite Ni3P under Compression to 50 GPa
by Sasithorn Chornkrathok, Dongzhou Zhang and Przemyslaw Dera
Minerals 2020, 10(4), 306; https://doi.org/10.3390/min10040306 - 30 Mar 2020
Cited by 3 | Viewed by 2425
Abstract
To better understand the potential presence of light element alloys of Fe and Ni in the Earth’s interior, the crystal structure and compressional behavior of the Ni-P binary compound, schreibersite (Ni3P), have been investigated using synchrotron X-ray diffraction experiments. Both powder [...] Read more.
To better understand the potential presence of light element alloys of Fe and Ni in the Earth’s interior, the crystal structure and compressional behavior of the Ni-P binary compound, schreibersite (Ni3P), have been investigated using synchrotron X-ray diffraction experiments. Both powder and two single-crystal samples of synthetic Ni3P (in different orientations with respect to the loading axis of the diamond anvil cell) were compressed up to approximately 50 GPa at ambient temperature. The compressional data obtained for Ni3P were fitted with a 3rd order Birch–Murnaghan equation of state. All data indicated that the c/a ratio of unit cell parameters remained approximately constant up to about 30 GPa but then increased progressively with pressure, exhibiting a second slight discontinuity at approximately 40 GPa. The changes in unit cell parameters at ~30 GPa and ~40 GPa suggested discontinuous changes in magnetic ordering. Moreover, the threshold of these subtle discontinuities is sensitive to the stress state and orientation of the crystal in the diamond anvil cell. This study is the first report on the compressional behavior of both powder and single-crystal schreibersite at high-pressure (up to 50 GPa). It offers insights into the effects of Ni3P components on the compressional behavior of the Earth’s core. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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13 pages, 6602 KiB  
Article
Incorporation of Incompatible Strontium and Barium Ions into Calcite (CaCO3) through Amorphous Calcium Carbonate
by Ayaka Saito, Hiroyuki Kagi, Shiho Marugata, Kazuki Komatsu, Daisuke Enomoto, Koji Maruyama and Jun Kawano
Minerals 2020, 10(3), 270; https://doi.org/10.3390/min10030270 - 17 Mar 2020
Cited by 18 | Viewed by 4591
Abstract
Calcite is a ubiquitous mineral in nature. Heavy alkaline-earth elements with large ionic radii such as Sr2+ and Ba2+ are highly incompatible to calcite. Our previous study clarified that incompatible Sr2+ ions can be structurally incorporated into calcite through crystallization [...] Read more.
Calcite is a ubiquitous mineral in nature. Heavy alkaline-earth elements with large ionic radii such as Sr2+ and Ba2+ are highly incompatible to calcite. Our previous study clarified that incompatible Sr2+ ions can be structurally incorporated into calcite through crystallization from amorphous calcium carbonate (ACC). In this study, we synthesized Sr-doped calcite with Sr/(Sr + Ca) up to 30.7 ± 0.6 mol% and Ba-doped calcite with Ba/(Ba + Ca) up to 68.6 ± 1.8 mol%. The obtained Ba-doped calcite samples with Ba concentration higher than Ca can be interpreted as Ca-containing barium carbonates with the calcite structure which have not existed so far because barium carbonate takes the aragonite structure. X-ray diffraction (XRD) patterns of the Sr-doped and Ba-doped calcite samples obtained at room temperature showed that reflection 113 gradually weakened with increasing Sr/(Sr + Ca) or Ba/(Ba + Ca) ratios. The reflection 113 disappeared at Ba/(Ba + Ca) higher than 26.8 ± 1.6 mol%. Extinction of reflection 113 was reported for pure calcite at temperatures higher than 1240 K, which was attributed to the rotational (dynamic) disorder of CO32− in calcite. Our Molecular Dynamics (MD) simulation on Ba-doped calcite clarified that the CO32− ions in Ba-doped calcites are in the static disorder at room temperature. The CO32− ions are notable tilted and displaced from the equilibrium position of pure calcite. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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14 pages, 4754 KiB  
Article
Thermoelastic Properties of K0.7Na0.3AlSi3O8 Hollandite and NaAlSi2O6 Jadeite: Implication for the Fate of the Subducted Continental Crust in the Deep Mantle
by Steeve Gréaux, Youmo Zhou, Yoshio Kono, Akihiro Yamada, Yuji Higo and Tetsuo Irifune
Minerals 2020, 10(3), 261; https://doi.org/10.3390/min10030261 - 13 Mar 2020
Cited by 1 | Viewed by 2392
Abstract
The thermoelastic properties of K0.7Na0.3AlSi3O8 hollandite and NaAlSi2O6 jadeite, synthesized from a (K, Na)-felspar (microcline), were investigated by a combination of in situ energy dispersive synchrotron X-ray radiation and multi-anvil techniques at high [...] Read more.
The thermoelastic properties of K0.7Na0.3AlSi3O8 hollandite and NaAlSi2O6 jadeite, synthesized from a (K, Na)-felspar (microcline), were investigated by a combination of in situ energy dispersive synchrotron X-ray radiation and multi-anvil techniques at high pressure (P) and temperature (T) up to 21 GPa and 1700 K. The second-order phase transformation was found to occur in hollandite at ~16 GPa from tetragonal I/4m (hollandite-I) to monoclinic I2/m (hollandite-II), which confirms the previous report that the incorporation of Na in the hollandite structure decreases the transformation pressure. Fitting the pressure–volume–temperature data to the Birch–Murnaghan equation of state yielded estimates of the thermoelastic parameters for jadeite as well as the K0.7Na0.3AlSi3O8 hollandite-I and -II phases, which indicate that the incorporation of Na is likely to decrease the bulk moduli of both hollandite phases. The obtained thermoelastic parameters were combined with those of other mantle minerals reported previously to estimate the density of continental materials along an average mantle geotherm. Based on our results, continental crust and sediment become, respectively, 11% and 15% denser than the pyrolitic mantle at pressure >10 GPa, suggesting that once pulled down to the critical depth of ~300 km, the continental portions of the slab can subduct further into the deep mantle, down to the lowermost part of the mantle transition region. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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13 pages, 2521 KiB  
Article
Melting Curve of Potassium Chloride from in situ Ionic Conduction Measurements
by Dongyuan Zhou, Junjie Dong, Yanhan Si, Feng Zhu and Jie Li
Minerals 2020, 10(3), 250; https://doi.org/10.3390/min10030250 - 09 Mar 2020
Cited by 8 | Viewed by 6926
Abstract
We report experimental constraints on the melting curve of potassium chloride (KCl) between 3.2 and 9 GPa from in situ ionic conduction measurements using a multi-anvil apparatus. On the basis of concurrent measurements of KCl and sodium chloride (NaCl) at 1 bar using [...] Read more.
We report experimental constraints on the melting curve of potassium chloride (KCl) between 3.2 and 9 GPa from in situ ionic conduction measurements using a multi-anvil apparatus. On the basis of concurrent measurements of KCl and sodium chloride (NaCl) at 1 bar using the differential thermal analysis (DTA) method and Pt sphere marker, we show that the peak rate of increase in ionic current with temperature upon heating coincides with latent heat ledge and fall of Pt sphere, thus establishing the criterion for melting detection from ionic conduction measurements. Applying this criterion to high pressures, we found that the melting point of KCl rose steeply with increasing pressure to exceed 2443 ± 100 K at 9 GPa. Fitting the results of this study together with existing data at pressures below 4 GPa and above 20 GPa, we obtained the Simon’s melting equation for KCl in the simple cubic B2 structure between 1.8 and 50 GPa: T m = 1323 ( P − 1.87 2.2 ( 1 ) + 1 ) 1 2.7 ( 1 ) , where T is in K and P is in GPa. Starting at 1 bar, the melting point of KCl increases at an average rate of ~150 K/GPa to cross that of Pt near 9 GPa. The highly refractory nature of KCl makes it a sensitive pressure calibrant for the large-volume pressure at moderate pressures and a potential sample container for experiments at moderate pressures and very high temperatures. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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14 pages, 8151 KiB  
Article
Picosecond Acoustics Technique to Measure the Sound Velocities of Fe-Si Alloys and Si Single-Crystals at High Pressure
by Eric Edmund, Michel Gauthier, Daniele Antonangeli, Simon Ayrinhac, Silvia Boccato, Thibault Deletang, Marc Morand, Yiuri Garino, Paraskevas Parisiades and Frédéric Decremps
Minerals 2020, 10(3), 214; https://doi.org/10.3390/min10030214 - 27 Feb 2020
Cited by 4 | Viewed by 2359
Abstract
We describe here a time resolved pump-probe laser technique—picosecond interferometry—which has been combined with diamond anvil cells (DAC). This method enables the measurement of the longitudinal sound velocity up to Mbar pressure for any kind of material (solids, liquids, metals, insulators). We also [...] Read more.
We describe here a time resolved pump-probe laser technique—picosecond interferometry—which has been combined with diamond anvil cells (DAC). This method enables the measurement of the longitudinal sound velocity up to Mbar pressure for any kind of material (solids, liquids, metals, insulators). We also provide a description of picosecond acoustics data analysis in order to determine the complete set of elastic constants for single crystals. To illustrate such capabilities, results are given on the pressure dependence of the acoustic properties for prototypical cases: polycrystal (hcp-Fe-5 wt% Si up to 115 GPa) and single-crystal (Si up to 10 GPa). Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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16 pages, 4673 KiB  
Article
Thermal Analysis, Compressibility, and Decomposition of Synthetic Bastnäsite-(La) to Lanthanum Oxyfluoride
by Richard L. Rowland II, Barbara Lavina, Kathleen E. Vander Kaaden, Lisa R. Danielson and Pamela C. Burnley
Minerals 2020, 10(3), 212; https://doi.org/10.3390/min10030212 - 27 Feb 2020
Cited by 4 | Viewed by 3233
Abstract
Understanding basic material properties of rare earth element (REE) bearing minerals such as their phase stability and equations of state can assist in understanding how economically viable deposits might form. Bastnäsite is the most commonly mined REE bearing mineral. We synthesized the lanthanum-fluoride [...] Read more.
Understanding basic material properties of rare earth element (REE) bearing minerals such as their phase stability and equations of state can assist in understanding how economically viable deposits might form. Bastnäsite is the most commonly mined REE bearing mineral. We synthesized the lanthanum-fluoride end member, bastnäsite-(La) (LaCO3F), and investigated its thermal behavior and decomposition products from 298 K to 1173 K under ambient pressure conditions through thermogravimetric analysis, differential scanning calorimetry, evolved gas analysis, and high temperature powder X-ray diffraction. We also investigated the compressibility of bastnäsite-(La) via single crystal X-ray diffraction in diamond anvil cells at an ambient temperature up to 11.3 GPa and from 4.9 GPa to 7.7 GPa up to 673 K. At ambient pressure, bastnäsite-(La) was stable up to 598 K in air, where it decomposed into CO2 and tetragonal γ-LaOF. Above 948 K, cubic α-LaOF is stable. High temperature X-ray diffraction data were used to fit the Fei thermal equation of state and the thermal expansion coefficient α298 for all three materials. Bastnäsite-(La) was fit from 298 K to 723 K with V0 = 439.82 Å3, α298 = 4.32 × 10−5 K−1, a0 = −1.68 × 10−5 K−1, a1 = 8.34 × 10−8 K−1, and a2 = 3.126 K−1. Tetragonal γ-LaOF was fit from 723 K to 948 K with V0 = 96.51 Å3, α298 = 2.95×10−4 K−1, a0 = −2.41×10−5 K−1, a1 = 2.42×10−7 K−1, and a2 = 41.147 K−1. Cubic α-LaOF was fit from 973 K to 1123 K with V0 = 190.71 Å3, α298 = −1.12×10−5 K−1, a0 = 2.36×10−4 K−1, a1 = −1.73 × 10−7 K−1, and a2 = −17.362 K−1. An ambient temperature third order Birch–Murnaghan equation of state was fit with V0 = 439.82 Å3, K0 = 105 GPa, and K’ = 5.58. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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21 pages, 3323 KiB  
Article
The Elastic Properties of β-Mg2SiO4 Containing 0.73 wt.% of H2O to 10 GPa and 600 K by Ultrasonic Interferometry with Synchrotron X-Radiation
by Gabriel D. Gwanmesia, Matthew L. Whitaker, Lidong Dai, Alwin James, Haiyan Chen, Richard S. Triplett and Nao Cai
Minerals 2020, 10(3), 209; https://doi.org/10.3390/min10030209 - 26 Feb 2020
Cited by 4 | Viewed by 2611
Abstract
We measured the elastic velocities of a synthetic polycrystalline β-Mg2SiO4 containing 0.73 wt.% H2O to 10 GPa and 600 K using ultrasonic interferometry combined with synchrotron X-radiation. Third-order Eulerian finite strain analysis of the high P and T [...] Read more.
We measured the elastic velocities of a synthetic polycrystalline β-Mg2SiO4 containing 0.73 wt.% H2O to 10 GPa and 600 K using ultrasonic interferometry combined with synchrotron X-radiation. Third-order Eulerian finite strain analysis of the high P and T data set yielded Kso = 161.5(2) GPa, Go = 101.6(1) GPa, and (∂Ks/∂P)T = 4.84(4), (∂G/∂P)T = 1.68(2) indistinguishable from Kso = 161.1(3) GPa, Go = 101.4(1) GPa, and (∂Ks/∂P)T = 4.93(4), (∂G/∂P)T = 1.73(2) from the linear fit. The hydration of the wadsleyite by 0.73 wt.% decreases Ks and G moduli by 5.3% and 8.6%, respectively, but no measurable effect was noted for (∂Ks/∂P)T and (∂G/∂P)T. The temperature derivatives of the Ks and G moduli from the finite strain analysis (∂KS/∂T)P = −0.013(2) GPaK−1, (∂G/∂T)P = −0.015(0.4) GPaK−1, and the linear fit (∂KS/∂T)P = −0.015(1) GPaK−1, (∂G/∂T)P = −0.016(1) GPaK−1 are in agreement, and both data sets indicating the |(∂G/∂T)P| to be greater than |(∂KS/∂T)P|. Calculations yield ∆Vp(α-β) = 9.88% and ∆VS(α-β) = 8.70% for the hydrous β-Mg2SiO4 and hydrous α-Mg2SiO4, implying 46–52% olivine volume content in the Earth’s mantle to satisfy the seismic velocity contrast ∆Vs = ∆VP = 4.6% at the 410 km depth. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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16 pages, 7082 KiB  
Article
X-ray Laue Microdiffraction and Raman Spectroscopic Investigation of Natural Silicon and Moissanite
by Camelia Veronica Stan, Earl Francis O’Bannon III, Pavel Mukhin, Nobumichi Tamura and Larissa Dobrzhinetskaya
Minerals 2020, 10(3), 204; https://doi.org/10.3390/min10030204 - 25 Feb 2020
Cited by 2 | Viewed by 2793
Abstract
Moissanite, SiC, is an uncommon accessory mineral that forms under low oxygen fugacity. Here, we analyze natural SiC from a Miocene tuff-sandstone using synchrotron Laue microdiffraction and Raman spectroscopy, in order to better understand the SiC phases and formation physics. The studied crystals [...] Read more.
Moissanite, SiC, is an uncommon accessory mineral that forms under low oxygen fugacity. Here, we analyze natural SiC from a Miocene tuff-sandstone using synchrotron Laue microdiffraction and Raman spectroscopy, in order to better understand the SiC phases and formation physics. The studied crystals of SiC consist of 4H- and 6H-SiC domains, formed from either, continuous growth or, in one case, intergrown, together with native Si. The native Si is polycrystalline, with a large crystal size relative to the analytical beam dimensions (>1–2 μm). We find that the intergrown region shows low distortion or dislocation density in SiC, but these features are comparatively high in Si. The distortion/deformation observed in Si may have been caused by a mismatch in the coefficients of thermal expansion of the two materials. Raman spectroscopic measurements are discussed in combination with our Laue microdiffraction results. Our results suggest that these SiC grains likely grew from an igneous melt. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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11 pages, 2208 KiB  
Article
Development of a Stress Sensor for In-Situ High-Pressure Deformation Experiments Using Radial X-Ray Diffraction
by Jennifer Girard, Reynold E. Silber, Anwar Mohiuddin, Haiyan Chen and Shun-ichiro Karato
Minerals 2020, 10(2), 166; https://doi.org/10.3390/min10020166 - 13 Feb 2020
Cited by 5 | Viewed by 2148
Abstract
We developed a stress sensor for in-situ deformation experiments using synchrotron radial X-ray diffraction. This stress sensor provided nearly diffraction-plane-independent stress that, when used in series with a sample, reduced the uncertainty of the average stress estimation acting on a sample. Here, we [...] Read more.
We developed a stress sensor for in-situ deformation experiments using synchrotron radial X-ray diffraction. This stress sensor provided nearly diffraction-plane-independent stress that, when used in series with a sample, reduced the uncertainty of the average stress estimation acting on a sample. Here, we present the results of a study where pyrope was used as a stress sensor. Using a Deformation-DIA (D-DIA) high-pressure deformation apparatus, pyrope, olivine and alumina were deformed in the same run/cell assembly placed in series along the compression direction. Deformation experiments were conducted at pressures between 4 and 5 GPa and temperatures between 730 and 1273 K with strain-rates between 10−5 and 10−6 s−1. Stresses estimated from various (hkl) planes in pyrope were nearly the same; i.e., pyrope is plastically isotropic with ≤10 % variation with (hkl). However, stresses from various (hkl) planes in olivine and alumina varied by approximately a factor of 3. Comparisons between average stresses inferred from pyrope and those from different diffraction planes in olivine and alumina showed that the average stress in these materials evolved from low-end stress, estimated from various (hkl) planes at small strain, to high-end stress at a large strain. This suggests that the rate-controlling slip system in these materials changes from the soft to the hard slip system with strain. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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11 pages, 1705 KiB  
Article
A Synchrotron Mössbauer Spectroscopy Study of a Hydrated Iron-Sulfate at High Pressures
by Tyler Perez, Gregory J. Finkelstein, Olivia Pardo, Natalia V. Solomatova and Jennifer M. Jackson
Minerals 2020, 10(2), 146; https://doi.org/10.3390/min10020146 - 08 Feb 2020
Cited by 3 | Viewed by 3863
Abstract
Szomolnokite is a monohydrated ferrous iron sulfate mineral, FeSO4·H2O, where the ferrous iron atoms are in octahedral coordination with four corners shared with SO4 and two with H2O groups. While somewhat rare on Earth, szomolnokite has [...] Read more.
Szomolnokite is a monohydrated ferrous iron sulfate mineral, FeSO4·H2O, where the ferrous iron atoms are in octahedral coordination with four corners shared with SO4 and two with H2O groups. While somewhat rare on Earth, szomolnokite has been detected on the surface of Mars along with several other hydrated sulfates and is suggested to occur near the surface of Venus. Previous measurements have characterized the local environment of the iron atoms in szomolnokite using Mössbauer spectroscopy at a range of temperatures and 1 bar. Our study represents a step towards understanding the electronic environment of iron in szomolnokite under compression at 300 K. Using a hydrostatic helium pressure-transmitting medium, we explored the pressure dependence of iron’s site-specific behavior in a synthetic szomolnokite powdered sample up to 95 GPa with time-domain synchrotron Mössbauer spectroscopy. At 1 bar, the Mössbauer spectrum is well described by two Fe2+-like sites and no ferric iron, consistent with select conventional Mössbauer spectra evaluations. At pressures below 19 GPa, steep gradients in the hyperfine parameters are most likely due to a structural phase transition. At 19 GPa, a fourth site is required to explain the time spectrum with increasing fractions of a low quadrupole splitting site, which could indicate the onset of another transition. Above 19 GPa we present three different models, including those with a high- to low-spin transition, that provide reasonable scenarios of electronic environment changes of the iron in szomolnokite with pressure. We summarize the complex range of Fe2+ spin transition characteristics at high-pressures by comparing szomolnokite with previous studies on ferrous-iron bearing phases. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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13 pages, 1187 KiB  
Article
High-Pressure Sound Velocity Measurements of Liquids Using In Situ Ultrasonic Techniques in a Multianvil Apparatus
by Zhicheng Jing, Tony Yu, Man Xu, Julien Chantel and Yanbin Wang
Minerals 2020, 10(2), 126; https://doi.org/10.3390/min10020126 - 31 Jan 2020
Cited by 14 | Viewed by 3515
Abstract
Sound velocity and equation of state of liquids provide important constraints on the generation, presence, and transport of silicate and metallic melts in the Earth’s interior. Unlike their solid counterparts, these properties of liquids pose great technical challenges to high-pressure measurements and are [...] Read more.
Sound velocity and equation of state of liquids provide important constraints on the generation, presence, and transport of silicate and metallic melts in the Earth’s interior. Unlike their solid counterparts, these properties of liquids pose great technical challenges to high-pressure measurements and are poorly constrained. Here we present the technical developments that have been made at the GSECARS beamline 13-ID-D of the Advanced Photon Source for the past several years for determination of sound velocity of liquids using the ultrasonic techniques in a 1000-ton Kawai-type multianvil apparatus. Temperature of the sound velocity measurements has been extended to ~2400 K at 4 GPa and ~2000 K at 8 GPa to enable studies of liquids with very high melting temperatures, such as the silicate liquids. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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13 pages, 2953 KiB  
Article
A New Reference for the Thermal Equation of State of Iron
by Francesca Miozzi, Jan Matas, Nicolas Guignot, James Badro, Julien Siebert and Guillaume Fiquet
Minerals 2020, 10(2), 100; https://doi.org/10.3390/min10020100 - 24 Jan 2020
Cited by 19 | Viewed by 3511
Abstract
The high-pressure, high-temperature behavior of iron was investigated to 140 GPa and 3500 K with in situ synchrotron X-ray diffraction. Iron samples were compressed in diamond-anvil cells and heated up with the double-sided laser-heating system installed at the high-pressure ID27 of the European [...] Read more.
The high-pressure, high-temperature behavior of iron was investigated to 140 GPa and 3500 K with in situ synchrotron X-ray diffraction. Iron samples were compressed in diamond-anvil cells and heated up with the double-sided laser-heating system installed at the high-pressure ID27 of the European Synchrotron Radiation Facility (ESRF). Three different structures, namely α-bcc, γ-fcc or ε-hcp Fe were identified as a function of pressure and temperature in the domain we explored. At pressures above 90 GPa, it is clearly shown that ε-iron is the single stable solid phase up to 160 GPa at high temperatures. The analysis of the P-V-T relationship allows us to propose a reliable experimental thermal equation of state (EoS) for iron. We also show that the addition of low pressure points to our EoS refinement yields more robust constrain on the determination of the reference volume V0 of the ε-hcp structure, which has important implications on the final parametrization of the equation of state. The extrapolation of the proposed EoS to core pressure conditions indicates that a pure iron core would have an excess of density of 3% compared to the PREM density profile. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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13 pages, 4328 KiB  
Article
Study on the High-Pressure Behavior of Goethite up to 32 GPa Using X-Ray Diffraction, Raman, and Electrical Impedance Spectroscopy
by Ruilian Tang, Jiuhua Chen, Qiaoshi Zeng, Yan Li, Xue Liang, Bin Yang and Yu Wang
Minerals 2020, 10(2), 99; https://doi.org/10.3390/min10020099 - 23 Jan 2020
Cited by 6 | Viewed by 3250
Abstract
Goethite is a major iron-bearing sedimentary mineral on Earth. In this study, we conducted in situ high-pressure x-ray diffraction, Raman, and electrical impedance spectroscopy measurements of goethite using a diamond anvil cell (DAC) at room temperature and high pressures up to 32 GPa. [...] Read more.
Goethite is a major iron-bearing sedimentary mineral on Earth. In this study, we conducted in situ high-pressure x-ray diffraction, Raman, and electrical impedance spectroscopy measurements of goethite using a diamond anvil cell (DAC) at room temperature and high pressures up to 32 GPa. We observed feature changes in both the Raman spectra and electrical resistance at about 5 and 11 GPa. However, the x-ray diffraction patterns show no structural phase transition in the entire pressure range of the study. The derived pressure-volume (P-V) data show a smooth compression curve with no clear evidence of any second-order phase transition. Fitting the volumetric data to the second-order Birch–Murnaghan equation of state yields V0 = 138.9 ± 0.5 Å3 and K0 = 126 ± 5 GPa. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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12 pages, 3471 KiB  
Article
Axial Compressibility and Thermal Equation of State of Hcp Fe–5wt% Ni–5wt% Si
by Eric Edmund, Francesca Miozzi, Guillaume Morard, Eglantine Boulard, Alisha Clark, Frédéric Decremps, Gaston Garbarino, Volodymyr Svitlyk, Mohamed Mezouar and Daniele Antonangeli
Minerals 2020, 10(2), 98; https://doi.org/10.3390/min10020098 - 23 Jan 2020
Cited by 8 | Viewed by 2603
Abstract
Knowledge of the elastic properties and equations of state of iron and iron alloys are of fundamental interest in Earth and planetary sciences as they are the main constituents of telluric planetary cores. Here, we present results of X-ray diffraction measurements on a [...] Read more.
Knowledge of the elastic properties and equations of state of iron and iron alloys are of fundamental interest in Earth and planetary sciences as they are the main constituents of telluric planetary cores. Here, we present results of X-ray diffraction measurements on a ternary Fe–Ni–Si alloy with 5 wt% Ni and 5 wt% Si, quasi-hydrostatically compressed at ambient temperature up to 56 GPa, and under simultaneous high pressure and high temperature conditions, up to 74 GPa and 1750 K. The established pressure dependence of the c/a axial ratio at ambient temperature and the pressure–volume–temperature (P–V–T) equation of state are compared with previous work and literature studies. Our results show that Ni addition does not affect the compressibility and axial compressibility of Fe–Si alloys at ambient temperature, but we suggest that ternary Fe–Ni–Si alloys might have a reduced thermal expansion in respect to pure Fe and binary Fe–Si alloys. In particular, once the thermal equations of state are considered together with velocity measurements, we conclude that elements other than Si and Ni have to be present in the Earth’s inner core to account for both density and seismic velocities. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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24 pages, 1132 KiB  
Article
Local-Basis-Function Equation of State for Ice VII–X to 450 GPa at 300 K
by J. Michael Brown and Baptiste Journaux
Minerals 2020, 10(2), 92; https://doi.org/10.3390/min10020092 - 21 Jan 2020
Cited by 6 | Viewed by 2490
Abstract
Helmholtz energy of ice VII–X is determined in a pressure regime extending to 450 GPa at 300 K using local-basis-functions in the form of b-splines. The new representation for the equation of state is embedded in a physics-based inverse theory framework of parameter [...] Read more.
Helmholtz energy of ice VII–X is determined in a pressure regime extending to 450 GPa at 300 K using local-basis-functions in the form of b-splines. The new representation for the equation of state is embedded in a physics-based inverse theory framework of parameter estimation. Selected pressures as a function of volume from 14 prior experimental studies and two theoretical studies constrain the behavior of Helmholtz energy. Separately measured bulk moduli, not used to construct the representation, are accurately replicated below about 20 GPa and above 60 GPa. In the intermediate range of pressure, the experimentally determined moduli are larger and have greater scatter than values predicted using the Helmholtz representation. Although systematic error in the determination of elastic moduli is possible and likely, the alternative hypothesis is a slow relaxation time associated with changes in proton mobility or the ice VII to X transition. A correlation is observed between anomalies in the pressure derivative of the predicted bulk modulus and previously suggested higher-order phase transitions. Improved determinations of elastic properties at high pressure would allow refinement of the current equation of state. More generally, the current method of data assimilation is broadly applicable to other materials in high-pressure studies and for investigations of planetary interiors. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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13 pages, 1421 KiB  
Article
X-ray and Neutron Study on the Structure of Hydrous SiO2 Glass up to 10 GPa
by Satoru Urakawa, Toru Inoue, Takanori Hattori, Asami Sano-Furukawa, Shinji Kohara, Daisuke Wakabayashi, Tomoko Sato, Nobumasa Funamori and Ken-ichi Funakoshi
Minerals 2020, 10(1), 84; https://doi.org/10.3390/min10010084 - 20 Jan 2020
Cited by 9 | Viewed by 3777
Abstract
The structure of hydrous amorphous SiO2 is fundamental in order to investigate the effects of water on the physicochemical properties of oxide glasses and magma. The hydrous SiO2 glass with 13 wt.% D2O was synthesized under high-pressure and high-temperature [...] Read more.
The structure of hydrous amorphous SiO2 is fundamental in order to investigate the effects of water on the physicochemical properties of oxide glasses and magma. The hydrous SiO2 glass with 13 wt.% D2O was synthesized under high-pressure and high-temperature conditions and its structure was investigated by small angle X-ray scattering, X-ray diffraction, and neutron diffraction experiments at pressures of up to 10 GPa and room temperature. This hydrous glass is separated into two phases: a major phase rich in SiO2 and a minor phase rich in D2O molecules distributed as small domains with dimensions of less than 100 Å. Medium-range order of the hydrous glass shrinks compared to the anhydrous SiO2 glass by disruption of SiO4 linkage due to the formation of Si–OD deuterioxyl, while the response of its structure to pressure is almost the same as that of the anhydrous SiO2 glass. Most of D2O molecules are in the small domains and hardly penetrate into the void space in the ring consisting of SiO4 tetrahedra. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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8 pages, 981 KiB  
Article
Riesite, a New High Pressure Polymorph of TiO2 from the Ries Impact Structure
by Oliver Tschauner, Chi Ma, Antonio Lanzirotti and Matthew G. Newville
Minerals 2020, 10(1), 78; https://doi.org/10.3390/min10010078 - 18 Jan 2020
Cited by 22 | Viewed by 4544
Abstract
This paper describes riesite, a new high-pressure polymorph of TiO2 from the Ries impact structure, Germany. Riesite occurs in shock-induced melt veins within xenoliths of bedrock in suevite. It is structurally closely related to srilankite from which it differs by having two [...] Read more.
This paper describes riesite, a new high-pressure polymorph of TiO2 from the Ries impact structure, Germany. Riesite occurs in shock-induced melt veins within xenoliths of bedrock in suevite. It is structurally closely related to srilankite from which it differs by having two distinct cation sites rather than one and through its monoclinic symmetry. It is indicative that riesite forms only upon release from the shock state upon back transformation from akaogiite. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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15 pages, 2803 KiB  
Article
Compressional Behavior of Hydrous Orthoenstatite: Insight into the Nature of LVZ under Continental Plate
by Florian Tian-Siang Hua, Przemyslaw Dera and Jennifer Kung
Minerals 2020, 10(1), 71; https://doi.org/10.3390/min10010071 - 16 Jan 2020
Cited by 2 | Viewed by 2780
Abstract
A suite of hydrous orthoenstatite crystals were synthesized at 5–7 GPa and 1100–1300 °C, corresponding to the mid upper mantle conditions in continental regions. The synthetic crystals presented a clear, inclusion-free, and euhedral form with a size range from 100 to a few [...] Read more.
A suite of hydrous orthoenstatite crystals were synthesized at 5–7 GPa and 1100–1300 °C, corresponding to the mid upper mantle conditions in continental regions. The synthetic crystals presented a clear, inclusion-free, and euhedral form with a size range from 100 to a few hundred microns. The Al- and water content of crystals were less than 2 wt. % and ranging from ~500 ppm to 1000 ppm, respectively, characterized by Raman and IR spectroscopy, electron microscopy, and SIMS. The analysis shows that the capability of water incorporation for this suite of hydrous orthoenstatite is correlated to the Al-content in the crystal structure. To understand how the detailed crystal structure reflects the influence of water and Al, single crystal X ray diffraction analysis was performed for this suite of hydrous orthoenstatite. By comparing the results obtained at ambient conditions, we find that for low-level of Al-content, <2 wt. %, the Al3+ cation tends to occupy one of tetrahedral sites (TB) only. Analysis of the X ray diffraction results under high pressure indicates that the elasticity of orthoenstatites is insensitive to the presence of low-level water and Al. We use this finding to evaluate the velocity profile at the mid upper mantle of continental regions to compare with seismic observation. The comparison indicates that the cause of the low velocity zone in continental regions originates from the geotherm profile rather than the effect of water on the elasticity of mantle phases. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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12 pages, 952 KiB  
Article
The Bridgmanite–Akimotoite–Majorite Triple Point Determined in Large Volume Press and Laser-Heated Diamond Anvil Cell
by Britany L. Kulka, Jonathan D. Dolinschi, Kurt D. Leinenweber, Vitali B. Prakapenka and Sang-Heon Shim
Minerals 2020, 10(1), 67; https://doi.org/10.3390/min10010067 - 15 Jan 2020
Cited by 3 | Viewed by 3702
Abstract
The bridgmanite–akimotoite–majorite (Bm–Ak–Mj or BAM) triple point in MgSiO3 has been measured in large-volume press (LVP; COMPRES 8/3 assembly) and laser-heated diamond anvil cell (LHDAC). For the LVP data, we calculated pressures from the calibration provided for the assembly. For the LHDAC [...] Read more.
The bridgmanite–akimotoite–majorite (Bm–Ak–Mj or BAM) triple point in MgSiO3 has been measured in large-volume press (LVP; COMPRES 8/3 assembly) and laser-heated diamond anvil cell (LHDAC). For the LVP data, we calculated pressures from the calibration provided for the assembly. For the LHDAC data, we conducted in situ determination of pressure at high temperature using the Pt scale at synchrotron. The measured temperatures of the triple point are in good agreement between LVP and LHDAC at 1990–2000 K. However, the pressure for the triple point determined from the LVP is 3.9 ± 0.6 GPa lower than that from the LHDAC dataset. The BAM triple point determined through these experiments will provide an important reference point in the pressure–temperature space for future high-pressure experiments and will allow mineral physicists to compare the pressure–temperature conditions measured in these two different experimental methods. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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11 pages, 1423 KiB  
Article
Ab Initio Thermoelasticity of Liquid Iron-Nickel-Light Element Alloys
by Hiroki Ichikawa and Taku Tsuchiya
Minerals 2020, 10(1), 59; https://doi.org/10.3390/min10010059 - 09 Jan 2020
Cited by 16 | Viewed by 2996
Abstract
The earth’s core is thought to be composed of Fe-Ni alloy including substantially large amounts of light elements. Although oxygen, silicon, carbon, nitrogen, sulfur, and hydrogen have been proposed as candidates for the light elements, little is known about the amount and the [...] Read more.
The earth’s core is thought to be composed of Fe-Ni alloy including substantially large amounts of light elements. Although oxygen, silicon, carbon, nitrogen, sulfur, and hydrogen have been proposed as candidates for the light elements, little is known about the amount and the species so far, primarily because of the difficulties in measurements of liquid properties under the outer core pressure and temperature condition. Here, we carry out massive ab initio computations of liquid Fe-Ni-light element alloys with various compositions under the whole outer core P, T condition in order to quantitatively evaluate their thermoelasticity. Calculated results indicate that Si and S have larger effects on the density of liquid iron than O and H, but the seismological reference values of the outer core can be reproduced simultaneously by any light elements except for C. In order to place further constraints on the outer core chemistry, other information, in particular melting phase relations of iron light elements alloys at the inner core-outer core boundary, are necessary. The optimized best-fit compositions demonstrate that the major element composition of the bulk earth is expected to be CI chondritic for the Si-rich core with the pyrolytic mantle or for the Si-poor core and the (Mg,Fe)SiO3-dominant mantle. But the H-rich core likely causes a distinct Fe depletion for the bulk Earth composition. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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12 pages, 4029 KiB  
Article
First Principles Calculation of the Stability of Iron Bearing Carbonates at High Pressure Conditions
by Jun Tsuchiya, Risa Nishida and Taku Tsuchiya
Minerals 2020, 10(1), 54; https://doi.org/10.3390/min10010054 - 08 Jan 2020
Cited by 4 | Viewed by 2438
Abstract
Carbonate minerals such as ferromagnesite (Mg,Fe)CO 3 are suggested to be a possible major deep-carbon host in the lower mantle, because ferromagnesite is possibly stabilized by Fe spin crossover under pressure. However, the behavior of Fe-bearing carbonates under lower mantle pressure conditions has [...] Read more.
Carbonate minerals such as ferromagnesite (Mg,Fe)CO 3 are suggested to be a possible major deep-carbon host in the lower mantle, because ferromagnesite is possibly stabilized by Fe spin crossover under pressure. However, the behavior of Fe-bearing carbonates under lower mantle pressure conditions has not been suitably examined thus far. Thus, in this study, we investigate the high-pressure stability of ferromagnesite and possible high-pressure structures with the chemical composition of (Mg 0.833 Fe 0.167 )CO 3 via first principles calculation using internally consistent local density approximation with Hubbard parameter (LDA+U) method, which can more accurately account for the electronic state of Fe than the LDA and generalized gradient approximation (GGA) approaches. The enthalpy values obtained via our calculations suggest that (Mg 0.833 Fe 0.167 )CO 3 undergoes phase transition from the R 3 ¯ c structure (high spin) to the P 1 ¯ (high spin) at 50 GPa, and to C2/m (high-spin) structure above 80 GPa, under static 0 K conditions. Therefore, no spin transitions in these carbonate minerals is expected under the lower mantle pressure conditions. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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10 pages, 1782 KiB  
Article
Casting Octahedra for Reproducible Multi-Anvil Experiments by 3D-Printed Molds
by Yingxin Liu, Haijian Li, Xiaojing Lai, Feng Zhu, Robert P. Rapp and Bin Chen
Minerals 2020, 10(1), 4; https://doi.org/10.3390/min10010004 - 18 Dec 2019
Cited by 2 | Viewed by 2675
Abstract
Making consistent and precise octahedral pressure media is crucial for reproducible high-pressure experiments in the multi-anvil press. Here we report a new approach of casting octahedra using 3D-printed molds, and pressure calibrations for octahedra both with and without pre-existing gaskets (“fins”). The 3D-printed [...] Read more.
Making consistent and precise octahedral pressure media is crucial for reproducible high-pressure experiments in the multi-anvil press. Here we report a new approach of casting octahedra using 3D-printed molds, and pressure calibrations for octahedra both with and without pre-existing gaskets (“fins”). The 3D-printed molds for casting octahedra from either Ceramacast 584-OF or 646 cement improve the reproducibility of the octahedra and allow for a pre-existing central hole (for the high-pressure cell assembly) in the final cast product. Pressure and temperature calibrations of the octahedra have been performed based on phase transitions in bismuth (Bi) and silica (SiO2), respectively, in order to determine the efficiency and reproducibility of pressure generation and thermal insulation for cast octahedra designed for use with 18/12, 14/8, and 10/5 multi-anvil assemblies. The pressure-generating efficiency of the 14/8 and 10/5 octahedra with pre-existing gaskets, cast from the 584-OF cement, is similar to that of the corresponding COMPRES (Consortium for Materials Properties Research in Earth Sciences) octahedra, and more efficient than pre-cast octahedra made from the same material but lacking pre-existing gaskets. The efficiency of pre-gasketed 18/12 octahedra made of the 646 cement is markedly lower than those of the 584 cement. However, the 18/12 large-volume octahedra, cast (with fins) from the ZrO2-based 646 cement, also provides efficient thermal insulation. Casting octahedral solid pressure media for multi-anvil experiments using 3D-printed “injection” molds is a low-cost and low failure-rate alternative for conducting reproducible experiments at high pressure in the multi-anvil apparatus. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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10 pages, 2736 KiB  
Article
Ultimate Mechanical Properties of Forsterite
by Karine Gouriet, Philippe Carrez and Patrick Cordier
Minerals 2019, 9(12), 787; https://doi.org/10.3390/min9120787 - 14 Dec 2019
Cited by 12 | Viewed by 3512
Abstract
The ultimate mechanical properties, as characterized here by the ideal strengths of Mg2SiO4 forsterite, have been calculated using first-principles calculations and generalized gradient approximation under tensile and shear loading. The ideal tensile strengths (ITS) and ideal shear strengths (ISS) are [...] Read more.
The ultimate mechanical properties, as characterized here by the ideal strengths of Mg2SiO4 forsterite, have been calculated using first-principles calculations and generalized gradient approximation under tensile and shear loading. The ideal tensile strengths (ITS) and ideal shear strengths (ISS) are computed by applying homogeneous strain increments along high-symmetry directions ([100], [010], and [001]) and low index shear plane ((100), (010), and (001)) of the orthorhombic lattice. We show that the ultimate mechanical properties of forsterite are highly anisotropic, with ITS ranging from 12.1 GPa along [010] to 29.3 GPa along [100], and ISS ranging from 5.6 GPa for simple shear deformation along (100) to 11.5 GPa for shear along (010). Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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12 pages, 842 KiB  
Article
Evaluating the Role of Iron-Rich (Mg,Fe)O in Ultralow Velocity Zones
by Vasilije V. Dobrosavljevic, Wolfgang Sturhahn and Jennifer M. Jackson
Minerals 2019, 9(12), 762; https://doi.org/10.3390/min9120762 - 08 Dec 2019
Cited by 9 | Viewed by 2695
Abstract
The composition of ultralow velocity zones (ULVZs) remains an open question, despite advances in both seismology and experimental work. We investigate the hypothesis of iron-rich (Mg,Fe)O (magnesiowüstite) as a cause of ULVZ seismic signatures. We report new quasi-hydrostatic X-ray diffraction measurements to constrain [...] Read more.
The composition of ultralow velocity zones (ULVZs) remains an open question, despite advances in both seismology and experimental work. We investigate the hypothesis of iron-rich (Mg,Fe)O (magnesiowüstite) as a cause of ULVZ seismic signatures. We report new quasi-hydrostatic X-ray diffraction measurements to constrain the equation of state of (Mg0.06Fe0.94)O with fit parameters V0 = 9.860 ± 0.007 Å3, K0T = 155.3 ± 2.2 GPa, K’0T = 3.79 ± 0.11, as well as synchrotron Mössbauer spectroscopy measurements to characterize the high-pressure magnetic and spin state of magnesiowüstite. We combine these results with information from previous studies to calculate the elastic behavior at core–mantle boundary conditions of magnesiowüstite, as well as coexisting bridgmanite and calcium silicate perovskite. Forward models of aggregate elastic properties are computed, and from these, we construct an inverse model to determine the proportions of magnesiowüstite that best reproduce ULVZ observations within estimated mutual uncertainties. We find that the presence of magnesiowüstite can explain ULVZ observations exhibiting 1:2 VP:VS reduction ratios relative to the Preliminary Reference Earth Model (PREM), as well as certain 1:3 VP:VS reductions within estimated uncertainty bounds. Our work quantifies the viability of compositionally distinct ULVZs containing magnesiowüstite and contributes to developing a framework for a methodical approach to evaluating ULVZ hypotheses. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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19 pages, 1584 KiB  
Article
A Simple Derivation of the Birch–Murnaghan Equations of State (EOSs) and Comparison with EOSs Derived from Other Definitions of Finite Strain
by Tomoo Katsura and Yoshinori Tange
Minerals 2019, 9(12), 745; https://doi.org/10.3390/min9120745 - 30 Nov 2019
Cited by 108 | Viewed by 12270
Abstract
Eulerian finite strain of an elastically isotropic body is defined using the expansion of squared length and the post-compression state as reference. The key to deriving second-, third- and fourth-order Birch–Murnaghan equations-of-state (EOSs) is not requiring a differential to describe the dimensions of [...] Read more.
Eulerian finite strain of an elastically isotropic body is defined using the expansion of squared length and the post-compression state as reference. The key to deriving second-, third- and fourth-order Birch–Murnaghan equations-of-state (EOSs) is not requiring a differential to describe the dimensions of a body owing to isotropic, uniform, and finite change in length and, therefore, volume. Truncation of higher orders of finite strain to express the Helmholtz free energy is not equal to ignoring higher-order pressure derivatives of the bulk modulus as zero. To better understand the Eulerian scheme, finite strain is defined by taking the pre-compressed state as the reference and EOSs are derived in both the Lagrangian and Eulerian schemes. In the Lagrangian scheme, pressure increases less significantly upon compression than the Eulerian scheme. Different Eulerian strains are defined by expansion of linear and cubed length and the first- and third-power Eulerian EOSs are derived in these schemes. Fitting analysis of pressure-scale-free data using these equations indicates that the Lagrangian scheme is inappropriate to describe P-V-T relations of MgO, whereas three Eulerian EOSs including the Birch–Murnaghan EOS have equivalent significance. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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9 pages, 494 KiB  
Article
Thermal Equation of State of Fe3C to 327 GPa and Carbon in the Core
by Suguru Takahashi, Eiji Ohtani, Daijo Ikuta, Seiji Kamada, Tatsuya Sakamaki, Naohisa Hirao and Yasuo Ohishi
Minerals 2019, 9(12), 744; https://doi.org/10.3390/min9120744 - 30 Nov 2019
Cited by 4 | Viewed by 3542
Abstract
The density and sound velocity structure of the Earth’s interior is modeled on seismological observations and is known as the preliminary reference Earth model (PREM). The density of the core is lower than that of pure Fe, which suggests that the Earth’s core [...] Read more.
The density and sound velocity structure of the Earth’s interior is modeled on seismological observations and is known as the preliminary reference Earth model (PREM). The density of the core is lower than that of pure Fe, which suggests that the Earth’s core contains light elements. Carbon is one plausible light element that may exist in the core. We determined the equation of state (EOS) of Fe3C based on in situ high-pressure and high-temperature X-ray diffraction experiments using a diamond anvil cell. We obtained the P–V data of Fe3C up to 327 GPa at 300 K and 70–180 GPa up to around 2300 K. The EOS of nonmagnetic (NM) Fe3C was expressed by two models using two different pressure scales and the third-order Birch–Murnaghan EOS at 300 K with the Mie–Grüneisen–Debye EOS under high-temperature conditions. The EOS can be expressed with parameters of V0 = 148.8(±1.0) Å3, K0 = 311.1(±17.1) GPa, K0′ = 3.40(±0.1), γ0 = 1.06(±0.42), and q = 1.92(±1.73), with a fixed value of θ0 = 314 K using the KBr pressure scale (Model 1), and V0 = 147.3(±1.0) Å3, K0 = 323.0(±16.6) GPa, K0′ = 3.43(±0.09), γ0 = 1.37(±0.33), and q = 0.98(±1.01), with a fixed value of θ0 = 314 K using the MgO pressure scale (Model 2). The density of Fe3C under inner core conditions (assuming P = 329 GPa and T = 5000 K) calculated from the EOS is compatible with the PREM inner core. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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13 pages, 4408 KiB  
Article
Viscoelastic Behaviour from Complementary Forced-Oscillation and Microcreep Tests
by Ian Jackson
Minerals 2019, 9(12), 721; https://doi.org/10.3390/min9120721 - 21 Nov 2019
Cited by 6 | Viewed by 2435
Abstract
There is an important complementarity between experimental methods for the study of high-temperature viscoelasticity in the time and frequency domains that has not always been fully exploited. Here, we show that the parallel processing of forced-oscillation data and microcreep records, involving the consistent [...] Read more.
There is an important complementarity between experimental methods for the study of high-temperature viscoelasticity in the time and frequency domains that has not always been fully exploited. Here, we show that the parallel processing of forced-oscillation data and microcreep records, involving the consistent use of either Andrade or extended Burgers creep function models, yields a robust composite modulus-dissipation dataset spanning a broader range of periods than either technique alone. In fitting this dataset, the alternative Andrade and extended Burgers models differ in their partitioning of strain between the anelastic and viscous contributions. The extended Burgers model is preferred because it involves a finite range of anelastic relaxation times and, accordingly, a well-defined anelastic relaxation strength. The new strategy offers the prospect of better constraining the transition between transient and steady-state creep or, equivalently, between anelastic and viscous behaviour. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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15 pages, 1470 KiB  
Article
Effect of Carbon on the Volume of Solid Iron at High Pressure: Implications for Carbon Substitution in Iron Structures and Carbon Content in the Earth’s Inner Core
by Jing Yang, Yingwei Fei, Xiaojun Hu, Eran Greenberg and Vitali B. Prakapenka
Minerals 2019, 9(12), 720; https://doi.org/10.3390/min9120720 - 20 Nov 2019
Cited by 15 | Viewed by 3390
Abstract
Understanding the effect of carbon on the density of hcp (hexagonal-close-packed) Fe-C alloys is essential for modeling the carbon content in the Earth’s inner core. Previous studies have focused on the equations of state of iron carbides that may not be applicable to [...] Read more.
Understanding the effect of carbon on the density of hcp (hexagonal-close-packed) Fe-C alloys is essential for modeling the carbon content in the Earth’s inner core. Previous studies have focused on the equations of state of iron carbides that may not be applicable to the solid inner core that may incorporate carbon as dissolved carbon in metallic iron. Carbon substitution in hcp-Fe and its effect on the density have never been experimentally studied. We investigated the compression behavior of Fe-C alloys with 0.31 and 1.37 wt % carbon, along with pure iron as a reference, by in-situ X-ray diffraction measurements up to 135 GPa for pure Fe, and 87 GPa for Fe-0.31C and 109 GPa for Fe-1.37C. The results show that the incorporation of carbon in hcp-Fe leads to the expansion of the lattice, contrary to the known effect in body-centered cubic (bcc)-Fe, suggesting a change in the substitution mechanism or local environment. The data on axial compressibility suggest that increasing carbon content could enhance seismic anisotropy in the Earth’s inner core. The new thermoelastic parameters allow us to develop a thermoelastic model to estimate the carbon content in the inner core when carbon is incorporated as dissolved carbon hcp-Fe. The required carbon contents to explain the density deficit of Earth’s inner core are 1.30 and 0.43 wt % at inner core boundary temperatures of 5000 K and 7000 K, respectively. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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14 pages, 3788 KiB  
Article
A Paris-Edinburgh Cell for High-Pressure and High-Temperature Structure Studies on Silicate Liquids Using Monochromatic Synchrotron Radiation
by Tony Yu, Clemens Prescher, Young Jay Ryu, Feng Shi, Eran Greenberg, Vitali Prakapenka, Peter Eng, Joanne Stubbs, Yoshio Kono, Guoyin Shen, Heather Watson, Mark L. Rivers, Stephen R. Sutton and Yanbin Wang
Minerals 2019, 9(11), 715; https://doi.org/10.3390/min9110715 - 19 Nov 2019
Cited by 7 | Viewed by 5224
Abstract
A Paris-Edinburgh press combined with a multi-channel collimator assembly has been commissioned at the GeoSoilEnviro Center for Advanced Radiation Sources (GSECARS) beamline for monochromatic X-ray scattering, with an emphasis on studying low-Z liquids, especially silicate liquids at high pressure. The Paris-Edinburgh press is [...] Read more.
A Paris-Edinburgh press combined with a multi-channel collimator assembly has been commissioned at the GeoSoilEnviro Center for Advanced Radiation Sources (GSECARS) beamline for monochromatic X-ray scattering, with an emphasis on studying low-Z liquids, especially silicate liquids at high pressure. The Paris-Edinburgh press is mounted on a general-purpose diffractometer, with a pixel array detector mounted on the detector arm. The incident monochromatic undulator beam with energies up to 60 keV is focused both horizontally and vertically to a beam size about 30 × 30 µm. With this setup, background scattering from the surrounding pressure media is completely removed at 2θ angles above 10° for samples larger than 1.05 mm in diameter. Thirty minutes is typically sufficient to collect robust X-ray scattering signals from a 1.6 mm diameter amorphous silicate sample. Cell assemblies for the standard Paris-Edinburgh anvils have been developed and pressures and temperatures up to 7 GPa and 2300 K, respectively, have been maintained steadily over hours. We have also developed a cupped-toroidal Drickamer anvil to further increase pressure and temperature capabilities. The cupped-toroidal Drickamer anvil combines features of a modified Drickamer anvil and the traditional Paris-Edinburgh anvil. Pressures up to 12 GPa have been generated at temperatures up to 2100 K. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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9 pages, 8784 KiB  
Article
Cracked, Porous Rocks and Fluids: Moon and Earth Paradox
by Jan V.M. Borgomano, Jérôme Fortin and Yves Guéguen
Minerals 2019, 9(11), 693; https://doi.org/10.3390/min9110693 - 09 Nov 2019
Cited by 1 | Viewed by 2436
Abstract
Elastic wave velocities are key parameters in geosciences. In seismology at a large scale, or in seismic exploration at a more local and shallower scale, they were the main source of information for a long time. At the time of the Apollo mission, [...] Read more.
Elastic wave velocities are key parameters in geosciences. In seismology at a large scale, or in seismic exploration at a more local and shallower scale, they were the main source of information for a long time. At the time of the Apollo mission, Anderson explained the unexpected result of very low velocities in Moon surface rocks by an intense cracking resulting from meteoritic impacts. Yet, it was also known that the Q factor was high. This could appear as a paradox. In the shallow layers of the Earth, rocks are porous. These shallow layers are of major importance in the Earth since they contain fluids. This is why velocities are higher and Q values lower in the Earth’s shallow layers than in the Moon’s shallow layers. Cracks have a determining effect on elastic properties because they are very compliant. Fluids also play a key role. Combining poroelasticity and effective elasticity, two independent theories much developed since the time of the Apollo mission, makes it possible to revisit the contrasting results observed in the Moon case and in the Earth case. Experimental results obtained on cracked synthetic glass show that dry cracks result in a strong decrease in velocity. On the other hand, saturated porous limestones exhibit a strong frequency-dependent attenuation when thermally cracked. The presence of fluid is the key factor. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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9 pages, 1192 KiB  
Article
Hydrogen Effect on the Sound Velocities of Upper Mantle Omphacite
by Wade Mans, Jin S. Zhang, Ming Hao, Joseph R. Smyth, Dongzhou Zhang, Gregory J. Finkelstein and Przemyslaw Dera
Minerals 2019, 9(11), 690; https://doi.org/10.3390/min9110690 - 08 Nov 2019
Cited by 2 | Viewed by 2693
Abstract
Clinopyroxene (Cpx) is commonly believed to be the best structural water (hydrogen) carrier among all major upper mantle nominally anhydrous minerals (NAMs). In this study, we have measured the single-crystal elastic properties of a Cpx, a natural omphacite with ~710 ppm water at [...] Read more.
Clinopyroxene (Cpx) is commonly believed to be the best structural water (hydrogen) carrier among all major upper mantle nominally anhydrous minerals (NAMs). In this study, we have measured the single-crystal elastic properties of a Cpx, a natural omphacite with ~710 ppm water at ambient pressure (P) and temperature (T) conditions. Utilizing the single-crystal X-ray diffraction (XRD) and electron microprobe data, the unit cell parameters and density were determined as a = 9.603(9) Å, b = 8.774(3) Å, c = 5.250(2) Å, β = 106.76(5)o, V = 255.1(4) Å3, and ρ = 3.340(6) g/cm3. We performed Brillouin spectroscopy experiments on four single crystals along a total of 52 different crystallographic directions. The best-fit single-crystal elastic moduli (Cijs), bulk and shear moduli were determined as: C11 = 245(1) GPa, C22 = 210(2) GPa, C33 = 249.6(9) GPa, C44 = 75.7(9) GPa, C55 = 71.2(5) GPa, C66 = 76(1) GPa, C12 = 85(2) GPa, C13 = 70(1) GPa, C23 = 66(2) GPa, C15 = 8.0(6) GPa, C25 = 6(1) GPa, C35 = 34.7(6) GPa, and C46 = 8.7(7) GPa, KS0 = 125(3) GPa, and G0 = 75(2) GPa, respectively. Compared with the anticipated elastic properties of an anhydrous omphacite with the same chemical composition, our results indicate that the incorporation of ~710 ppm structural water has no resolvable effect on the aggregate elastic properties of omphacite, although small differences (up to ~9 GPa) were observed in C13, C25, C44, and C66. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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8 pages, 257 KiB  
Article
Equations of State of Simple Solids (Including Pb, NaCl and LiF) Compressed in Helium or Neon in the Mbar Range
by Agnès Dewaele
Minerals 2019, 9(11), 684; https://doi.org/10.3390/min9110684 - 05 Nov 2019
Cited by 17 | Viewed by 3646
Abstract
The equations of state measured under ambient temperature in the Mbar range are reviewed, focusing on experiments using diamond anvils cells with a quasi-hydrostatic pressure transmitting medium (helium or neon) and coupled with X-ray diffraction. Equations of state (EoS) parameters are listed with [...] Read more.
The equations of state measured under ambient temperature in the Mbar range are reviewed, focusing on experiments using diamond anvils cells with a quasi-hydrostatic pressure transmitting medium (helium or neon) and coupled with X-ray diffraction. Equations of state (EoS) parameters are listed with an unified pressure metrology for all data. This metrology is based on the efforts made in the 2000s to update the ruby luminescence pressure scale, after the collection of original data. To complete this database, unpublished P-V data for lead (Pb), sodium chloride (NaCl) and lithium fluoride (LiF) are also provided with the same metrology. Systematic effects of the pressure metrology on the EoS parameters are discussed. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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9 pages, 1706 KiB  
Article
Validation of Digital Rock Physics Algorithms
by Rongrong Lin and Leon Thomsen
Minerals 2019, 9(11), 669; https://doi.org/10.3390/min9110669 - 31 Oct 2019
Viewed by 2272
Abstract
With a detailed microscopic image of a rock sample, one can determine the corresponding 3-D grain geometry, forming a basis to calculate the elastic properties numerically. The issues which arise in such a calculation include those associated with image resolution, the registration of [...] Read more.
With a detailed microscopic image of a rock sample, one can determine the corresponding 3-D grain geometry, forming a basis to calculate the elastic properties numerically. The issues which arise in such a calculation include those associated with image resolution, the registration of the digital numerical grid with the digital image, and grain anisotropy. Further, there is a need to validate the numerical calculation via experiment or theory. Because of the geometrical complexity of the rock, the best theoretical test employs the Hashin–Shtrikman result that, for an aggregate of two isotropic components with equal shear moduli, the bulk modulus is uniquely determined, independent of the micro-geometry. Similarly, for an aggregate of two isotropic components with a certain combination of elastic moduli defined herein, the Hashin–Shtrikman formulae give a unique result for the shear modulus, independent of the micro-geometry. For a porous, saturated rock, the solid incompressibility may be calculated via an “unjacketed” test, independent of the micro-geometry. Any numerical algorithm proposed for digital rock physics computation should be validated by successfully confirming these theoretical predictions. Using these tests, we validate a previously published staggered-grid finite difference damped time-stepping algorithm to calculate the static properties of digital rock models. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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9 pages, 266 KiB  
Article
Equations of State for the Deep Earth: Some Fundamental Considerations
by Frank D. Stacey
Minerals 2019, 9(10), 636; https://doi.org/10.3390/min9100636 - 17 Oct 2019
Cited by 9 | Viewed by 3077
Abstract
None of the 40+ equations that have been proposed to describe material properties at the pressures of the Earth’s core and mantle have escaped serious criticism. In this paper, some basic algebraic and thermodynamic constraints are reviewed, with the conclusion that the next [...] Read more.
None of the 40+ equations that have been proposed to describe material properties at the pressures of the Earth’s core and mantle have escaped serious criticism. In this paper, some basic algebraic and thermodynamic constraints are reviewed, with the conclusion that the next step should be a re-examination of the relationship between the dependence of the bulk modulus, K, on pressure, P, that is K ′ ≡ d K / d P , and the normalized (dimensionless) pressure, P / K . A linear relationship between 1 / K ′ and P / K terminating at the infinite pressure asymptote, at which these quantities become equal, has been used for analysing properties at extreme pressure, but may be inadequate for calculations requiring precise derivatives of an equation of state. A new analysis indicates that d ( 1 / K ′ ) / d ( P / K ) increases with compression (or P / K ), but there are, at present, no reliable equations representing this. Relationships between higher derivatives of K and the thermodynamic Grüneisen parameter offer the prospect of a resolution of the problem and hence a new generation of fundamentally-based equations of state. Although an earlier conclusion that a completely general ‘universal’ equation is not possible, in principle, is confirmed in this study, the fundamental relationships present strong constraints for the forms of other proposed equations. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
12 pages, 2062 KiB  
Article
High-Pressure and High-Temperature Phase Transitions in Fe2TiO4 and Mg2TiO4 with Implications for Titanomagnetite Inclusions in Superdeep Diamonds
by Masaki Akaogi, Taisuke Tajima, Masaki Okano and Hiroshi Kojitani
Minerals 2019, 9(10), 614; https://doi.org/10.3390/min9100614 - 06 Oct 2019
Cited by 10 | Viewed by 3143
Abstract
Phase transitions of Mg2TiO4 and Fe2TiO4 were examined up to 28 GPa and 1600 °C using a multianvil apparatus. The quenched samples were examined by powder X-ray diffraction. With increasing pressure at high temperature, spinel-type Mg2 [...] Read more.
Phase transitions of Mg2TiO4 and Fe2TiO4 were examined up to 28 GPa and 1600 °C using a multianvil apparatus. The quenched samples were examined by powder X-ray diffraction. With increasing pressure at high temperature, spinel-type Mg2TiO4 decomposes into MgO and ilmenite-type MgTiO3 which further transforms to perovskite-type MgTiO3. At ~21 GPa, the assemblage of MgTiO3 perovskite + MgO changes to 2MgO + TiO2 with baddeleyite (or orthorhombic I)-type structure. Fe2TiO4 undergoes transitions similar to Mg2TiO4 with pressure: spinel-type Fe2TiO4 dissociates into FeO and ilmenite-type FeTiO3 which transforms to perovskite-type FeTiO3. Both of MgTiO3 and FeTiO3 perovskites change to LiNbO3-type phases on release of pressure. In Fe2TiO4, however, perovskite-type FeTiO3 and FeO combine into calcium titanate-type Fe2TiO4 at ~15 GPa. The formation of calcium titanate-type Fe2TiO4 at high pressure may be explained by effects of crystal field stabilization and high spin–low spin transition in Fe2+ in the octahedral sites of calcium titanate-type Fe2TiO4. It is inferred from the determined phase relations that some of Fe2TiO4-rich titanomagnetite inclusions in diamonds recently found in São Luiz, Juina, Brazil, may be originally calcium titanate-type Fe2TiO4 at pressure above ~15 GPa in the transition zone or lower mantle and transformed to spinel-type in the upper mantle conditions. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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11 pages, 1274 KiB  
Article
Limits to the Validity of Thermal-Pressure Equations of State
by Ross J. Angel, Francesca Miozzi and Matteo Alvaro
Minerals 2019, 9(9), 562; https://doi.org/10.3390/min9090562 - 17 Sep 2019
Cited by 15 | Viewed by 2933
Abstract
Thermal-pressure Equations of State (EoS) such as the Mie-Grüneisen-Debye (MGD) model depend on several assumptions, including the quasi-harmonic approximation (QHA) and a simplified phonon density of states. We show how the QHA is violated by materials exhibiting anisotropic thermal pressure. We also show [...] Read more.
Thermal-pressure Equations of State (EoS) such as the Mie-Grüneisen-Debye (MGD) model depend on several assumptions, including the quasi-harmonic approximation (QHA) and a simplified phonon density of states. We show how the QHA is violated by materials exhibiting anisotropic thermal pressure. We also show that at pressures lower than those of the isochor of the reference volume, the static pressure may become sufficiently negative to make the compressional part of the EoS invalid. This limit is sensitive to the combined effects of the EoS parameters K’0, q and the Grüneisen parameter γ0. Large values of q, which correspond to a rapid decrease in phonon mode frequencies with increasing volume, can also lead to the bulk modulus becoming zero at high pressures and temperatures that are not particularly extreme for planetary geotherms. The MGD EoS therefore has an extremely limited P and T regime over which it is both valid and has physically-meaningful properties. Outside of this range, additional terms should be included in the thermal pressure that represents the physical properties of the solid. Or, alternatively, ‘isothermal’ EoS in which the temperature variation of the elastic properties is explicitly modeled without reference to a physical model can be used. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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9 pages, 1831 KiB  
Article
Phase Relations in MAFSH System up to 21 GPa: Implications for Water Cycles in Martian Interior
by Chaowen Xu and Toru Inoue
Minerals 2019, 9(9), 559; https://doi.org/10.3390/min9090559 - 16 Sep 2019
Cited by 4 | Viewed by 2473
Abstract
To elucidate the water cycles in iron-rich Mars, we investigated the phase relation of a water-undersaturated (2 wt.%) analog of Martian mantle in simplified MgO-Al2O3-FeO-SiO2-H2O (MAFSH) system between 15 and 21 GPa at 900–1500 °C [...] Read more.
To elucidate the water cycles in iron-rich Mars, we investigated the phase relation of a water-undersaturated (2 wt.%) analog of Martian mantle in simplified MgO-Al2O3-FeO-SiO2-H2O (MAFSH) system between 15 and 21 GPa at 900–1500 °C using a multi-anvil apparatus. Results showed that phase E coexisting with wadsleyite or ringwoodite was at least stable at 15–16.5 GPa and below 1050 °C. Phase D coexisted with ringwoodite at pressures higher than 16.5 GPa and temperatures below 1100 °C. The transition pressure of the loop at the wadsleyite-ringwoodite boundary shifted towards lower pressure in an iron-rich system compared with a hydrous pyrolite model of the Earth. Some evidence indicates that water once existed on the Martian surface on ancient Mars. The water present in the hydrous crust might have been brought into the deep interior by the convecting mantle. Therefore, water might have been transported to the deep Martian interior by hydrous minerals, such as phase E and phase D, in cold subduction plates. Moreover, it might have been stored in wadsleyite or ringwoodite after those hydrous materials decomposed when the plates equilibrated thermally with the surrounding Martian mantle. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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Review

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22 pages, 15362 KiB  
Review
Complex Geophysical Investigations under Extreme P,T–Conditions at Zentralinstitut für Physik der Erde (ZIPE) (1970–1990)
by Hans J. Mueller and Heiner Vollstädt
Minerals 2020, 10(5), 412; https://doi.org/10.3390/min10050412 - 06 May 2020
Viewed by 1865
Abstract
The development of the geophysical high pressure research in the former German Democratic Republic (GDR) is described here. The GDR was a German state established in 1949 at the territory of the Soviet occupation zone. The different experimental investigations under extreme pressure and [...] Read more.
The development of the geophysical high pressure research in the former German Democratic Republic (GDR) is described here. The GDR was a German state established in 1949 at the territory of the Soviet occupation zone. The different experimental investigations under extreme pressure and temperature conditions and their industrial applications, including the pilot manufacture of synthetic diamonds are explained. A review of the research topics pursued including experiments on lunar material and Earth core/mantle material is described. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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18 pages, 11970 KiB  
Review
The Orson Anderson Era of Mineral Physics at Lamont in the 1960s
by Robert Cooper Liebermann
Minerals 2019, 9(6), 342; https://doi.org/10.3390/min9060342 - 04 Jun 2019
Cited by 4 | Viewed by 3928
Abstract
From 1964 to the early 1970s, Orson Anderson led a research program at the Lamont Geological Observatory in the newly-emerging field of “mineral physics”. In collaboration with colleagues Edward Schreiber and Naohiro Soga, Orson exploited the techniques of physical acoustics to study the [...] Read more.
From 1964 to the early 1970s, Orson Anderson led a research program at the Lamont Geological Observatory in the newly-emerging field of “mineral physics”. In collaboration with colleagues Edward Schreiber and Naohiro Soga, Orson exploited the techniques of physical acoustics to study the behavior of the sound velocities of minerals at elevated pressures and temperatures. This research program also included semi-empirical studies of the relationships between the bulk modulus and the molar volume of solids, the use of lattice dynamics to calculate the elastic moduli of cubic structures as a function of pressure to predict instabilities, and theoretical investigations of the Lagrangian and Eulerian formulations of finite strain equations of state. Full article
(This article belongs to the Special Issue Mineral Physics—In Memory of Orson Anderson)
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