Editorial

5 pages, 204 KiB

Open AccessEditorial

Editorial for Special Issue “High-Pressure Physical and Chemical Behaviors of Minerals and Rocks”

by Lidong Dai and Haiying Hu

Minerals 2023, 13(4), 477; https://doi.org/10.3390/min13040477 - 28 Mar 2023

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The eighth “From Atom to Earth” symposium on high-pressure science and earth science was held at the Key Laboratory of High-temperature and High-pressure Study of the Earth’s Interior, Institute of Geochemistry, Chinese Academy of Sciences (IGCAS), the People’s Republic of China, from 2 [...] Read more.

The eighth “From Atom to Earth” symposium on high-pressure science and earth science was held at the Key Laboratory of High-temperature and High-pressure Study of the Earth’s Interior, Institute of Geochemistry, Chinese Academy of Sciences (IGCAS), the People’s Republic of China, from 2 to 5 July 2021 [...] Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

Research

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13 pages, 2450 KiB

Open AccessArticle

Equation of State, Compressibility, and Vibrational Properties of Brucite over Wide Pressure and Temperature Ranges: Atomistic Computer Simulations with the Modified ClayFF Classical Force Field

by Evgeny V. Tararushkin, Vasily V. Pisarev and Andrey G. Kalinichev

Minerals 2023, 13(3), 408; https://doi.org/10.3390/min13030408 - 15 Mar 2023

Cited by 4 | Viewed by 1503

Abstract

The behavior of brucite over wide ranges of temperatures and pressures is of great interest for fundamental geochemistry and geophysics. Brucite layers and their octahedral Mg(OH)₆ structural units constitute an important structural part of layered dense magnesium hydrous silicates (DMHS), which play [...] Read more.

The behavior of brucite over wide ranges of temperatures and pressures is of great interest for fundamental geochemistry and geophysics. Brucite layers and their octahedral Mg(OH)₆ structural units constitute an important structural part of layered dense magnesium hydrous silicates (DMHS), which play a major role in mineral equilibria controlling water balance in the subduction zones of the upper mantle. The ClayFF force field was originally developed for atomistic computer simulations of clays and other layered minerals and their hydrated interfaces. The crystallographic parameters of brucite at 25 °C and 1 bar were used, among several others, to develop the original ClayFF parametrization. Its new recent modification, ClayFF-MOH, can more accurately account for the bending of Mg–O–H angles in the brucite structure, and it was used here to test the applicability of this simple classical model over very wide ranges of temperature and pressure well beyond the range of its original implementation (up to 600 °C and 15 GPa). The pressure and temperature dependencies of brucite crystallographic parameters, the compressibility of the crystal lattice, the coefficients of thermal expansion, and the vibrational spectra were calculated in a series of classical molecular dynamics simulations using the ClayFF-MOH model and compared with a diverse set of available experimental data, including X-ray diffractometry, neutron scattering, IR and Raman spectroscopy. These new results demonstrated that ClayFF-MOH, as simple and approximate as it is, can be quite accurate in predicting many mineral properties at subduction zone conditions, which greatly expands the area of its applicability. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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17 pages, 3614 KiB

Open AccessArticle

Pressure-Induced Reverse Structural Transition of Calcite at Temperatures up to 873 K and Pressures up to 19.7 GPa

by Xinyu Zhang, Lidong Dai, Haiying Hu and Chuang Li

Minerals 2023, 13(2), 188; https://doi.org/10.3390/min13020188 - 27 Jan 2023

Cited by 2 | Viewed by 1381

Abstract

In situ Raman scattering and electrical conductivity experiments have been performed to investigate the structural phase transitions of calcite during the compressed and decompressed processes in a diamond anvil cell at temperatures of 298–873 K and pressures up to 19.7 GPa. Upon compression, [...] Read more.

In situ Raman scattering and electrical conductivity experiments have been performed to investigate the structural phase transitions of calcite during the compressed and decompressed processes in a diamond anvil cell at temperatures of 298–873 K and pressures up to 19.7 GPa. Upon compression, calcite (CaCO₃-I phase) underwent three structural phase transitions from CaCO₃-I to CaCO₃-II phases at 1.6 GPa, from CaCO₃-II to CaCO₃-III phases at 2.2 GPa, and from CaCO₃-III to CaCO₃-VI phases at 16.8 GPa under room temperature conditions, which were evidenced by the evolution of Raman peaks, as well as the discontinuities in the pressure-dependent Raman shifts and electrical conductivity. Upon decompression, the structural phase transitions from CaCO₃-VI to CaCO₃-III to CaCO₃-II to CaCO₃-I phases took place at the respective pressures of 5.4, 1.5, and 0.4 GPa, indicating the reversibility of calcite. Furthermore, an obvious ~11 GPa of pressure hysteresis was detected in the CaCO₃-VI to CaCO₃-III phase transition, whereas other reverse phase transition pressures were very close to those of compressed results. At three given representative pressure conditions (i.e., 10.5, 12.5, and 13.8 GPa), a series of electrical conductivity experiments were performed at temperature ranges of 323–873 K to explore the temperature-dependent relation of CaCO₃-III to CaCO₃-VI structural phase transition. With increasing pressure, the transition temperature between CaCO₃-III and CaCO₃-VI phases gradually decreases, which reveals an obviously negative temperature-pressure relation, i.e., P (GPa) = 19.219 (±1.105) − 0.011 (±0.002) T (K). Our acquired phase diagram of calcite can be employed to understand the high-pressure structural transitions and phase stability for carbonate minerals along various subducting slabs in the deep Earth’s interior. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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11 pages, 2341 KiB

Open AccessFeature PaperEditor’s ChoiceArticle

In Situ Raman Spectroscopy and DFT Studies of the Phase Transition from Zircon to Reidite at High P–T Conditions

by Yue Gao, Zhi Zheng, Xia Zhao, Yuegao Liu, Jiangzhi Chen, Yan Li, Mengjun Xiong, Xiaotao Zu and Shenghua Mei

Minerals 2022, 12(12), 1618; https://doi.org/10.3390/min12121618 - 15 Dec 2022

Cited by 2 | Viewed by 1402

Abstract

Zircon (ZrSiO₄) provides a good pressure-holding environment for ultra-high-pressure metamorphic minerals during crust exhumation due to its high incompressibility and chemical stability. At high pressure, the zircon can transform to reidite. Previous studies show much higher phase-transition pressures at room temperature [...] Read more.

Zircon (ZrSiO₄) provides a good pressure-holding environment for ultra-high-pressure metamorphic minerals during crust exhumation due to its high incompressibility and chemical stability. At high pressure, the zircon can transform to reidite. Previous studies show much higher phase-transition pressures at room temperature than those at high temperature (>1000 K) due to kinetic hindrance. To further investigate the kinetics of the zircon–reidite phase transition at relatively low temperatures, the phase boundary at 298–800 K was determined using a diamond anvil cell combined with in situ Raman spectra. The results show that reidite becomes thermodynamically more stable compared with zircon at 8 GPa at room temperature, and the slope of the phase boundary at 298–800 K abruptly differs from that of previous studies at 1100–1900 K. Compared with the equilibrium phase boundary calculated by the density functional theory, it indicates that the kinetic effect of the zircon–reidite phase transition is obvious, and there exists a sufficiently large energy driving force provided by an overpressure to overcome the activation energy barrier below a critical temperature of approximately 880 K. The temperature dependence of overpressure is about 0.023 GPa/K. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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14 pages, 4158 KiB

Open AccessArticle

Gemological Characteristics of Lvwen Stone and Its Color Genesis

by Zhendong Liu, Wenjie Wang, Ke Yin, Hanlie Hong, Thomas J. Algeo, Zuowei Yin, Yong Pan, Zhuo Lu, Wen Han, Yiming Wang and Yunqi Yang

Minerals 2022, 12(12), 1584; https://doi.org/10.3390/min12121584 - 10 Dec 2022

Cited by 1 | Viewed by 1467

Abstract

“Lvwen stone” is a yellow-green carbonate jade gemstone. In this study, the gemological characteristics and color genesis of Lvwen stone were investigated using conventional gemological testing methods and analytical techniques, such as X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), ultraviolet–visible spectroscopy (UV–VIS), laser [...] Read more.

“Lvwen stone” is a yellow-green carbonate jade gemstone. In this study, the gemological characteristics and color genesis of Lvwen stone were investigated using conventional gemological testing methods and analytical techniques, such as X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), ultraviolet–visible spectroscopy (UV–VIS), laser ablation plasma mass spectrometry (LA-ICP-MS), and scanning electron microscopy (SEM). The chemical composition of Lvwen stone is mainly Ca, with lesser amounts of Mg, Mn, Cu, Zn, Fe, and other trace elements. The rare earth element distribution pattern indicates that Lvwen stone is characterized by MREE depletion and a positive Ce anomaly. The mineralogic composition of Lvwen stone is calcite, and trace-element- and crystal-size-induced colors result in its characteristic banded appearance. The white (or light green) bands consist of comparatively coarse calcite crystals (~100 μm) that are oriented perpendicularly to the band plane, accounting for their poor light transmittance. In contrast, the dark green matrix is composed of cryptocrystalline calcite crystals that are uniform in size (~10 μm) and tightly packed, resulting in superior light transmittance. Lvwen stone has a ⁶A₁→⁴E(⁴D)d-d intra-ion electronic transition absorption band of Fe³⁺ at ~380–450 nm and a ²E→²T₂(²D)d-d intra-ion electronic transition absorption band of Cu²⁺ at ~580–780 nm. This indicates that both the intra-ion electronic transitions of Fe³⁺ and Cu²⁺ give rise to the unique yellow-green color of the material. Lvwen stone is produced by ultra-high-pressure tectonic fluids in a relatively closed, reducing environment, and the green matrix was formed earlier than the white bands. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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19 pages, 28640 KiB

Open AccessArticle

Effect of Different Mineralogical Proportions on the Electrical Conductivity of Dry Hot-Pressed Sintering Gabbro at High Temperatures and Pressures

by Mengqi Wang, Lidong Dai, Haiying Hu, Wenqing Sun, Ziming Hu and Chenxin Jing

Minerals 2022, 12(3), 336; https://doi.org/10.3390/min12030336 - 08 Mar 2022

Cited by 2 | Viewed by 1790

Abstract

Electrical conductivities of the dry hot-pressed sintering gabbro with various mineralogical proportions (Cpx_XPl_100−X, X = 0, 10, 20, 30, 40, 50, 60, 70, 80, 90 and 100 vol% (the signals of Cpx and Pl denote clinopyroxene and plagioclase, [...] Read more.

Electrical conductivities of the dry hot-pressed sintering gabbro with various mineralogical proportions (Cpx_XPl_100−X, X = 0, 10, 20, 30, 40, 50, 60, 70, 80, 90 and 100 vol% (the signals of Cpx and Pl denote clinopyroxene and plagioclase, respectively) were measured in the YJ-3000t multi-anvil pressure and Solartron-1260 impedance spectroscopy analyzer at temperatures of 773–1073 K and pressures of 1.0–3.0 GPa. At the given pressure conditions, the electrical conductivity and temperature conformed to an Arrhenius relation. For the fixed mineralogical composition of Cpx₅₀Pl₅₀, the electrical conductivities of the samples significantly increased with the rise of temperature, but slightly decreased with increasing pressure. Furthermore, the activation energy and activation volume were determined as 1.06 ± 0.12 eV and 6.00 ± 2.00 cm³/mole, respectively. As for the various mineralogical compositions of dry gabbro, the electrical conductivities of the samples increased with the rise of volume percentage of clinopyroxene (Cpx) at 1.0 GPa. It is proposed that the main conduction mechanism is the small polaron, owing to the positive relation between the electrical conductivity and the iron content in samples. On the basis of these obtained conductivity results, laboratory-based electrical conductivity–depth profiles for the hot-pressed sintering gabbro with various mineralogical proportions and temperature gradients were successfully established. In conclusion, although the present acquired electrical conductivity results on the dry hot-pressed sintering gabbro with various mineralogical proportions cannot explain the high conductivity anomaly in the oceanic crust and West African craton, it can provide one reasonable constraint on the mineralogical composition in these representative gabbro-rich regions. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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10 pages, 2713 KiB

Open AccessArticle

Raman Spectroscopic Studies of Pyrite at High Pressure and High Temperature

by Juan Chen, Heping Li, Yi Yuan, Mengxue Zhang, Shuhang Shuai and Jingjing Wan

Minerals 2022, 12(3), 332; https://doi.org/10.3390/min12030332 - 08 Mar 2022

Cited by 2 | Viewed by 2484

Abstract

Variations in the Raman spectra of pyrite were studied from 113 to 853 K at room pressure with a Linkam heating and freezing stage, and for 297–513 K and pressures up to 1.9 GPa with a hydrothermal diamond anvil cell. All observed frequencies [...] Read more.

Variations in the Raman spectra of pyrite were studied from 113 to 853 K at room pressure with a Linkam heating and freezing stage, and for 297–513 K and pressures up to 1.9 GPa with a hydrothermal diamond anvil cell. All observed frequencies decreased continuously with an increase in temperatures up to 653 K at ambient pressure. Hematite began to form at 653 K, all pyrite had transformed to hematite (H) at 688 K, and the hematite melted at 853 K. An increase in temperature at every initial pressure (group 1: 0.5 GPa, group 2: 1.1 GPa, group 3: 1.7 GPa, group 4: 1.9 GPa), showed no evidence for chemical reaction or pyrite decomposition. Two or three Raman modes were observed because of crystal orientation or temperature-induced fluorescence effects. The pressure groups showed a decreasing trend of frequency with gradual heating. The interaction of pressure and temperature led to a gradual decrease in Ag and Eg mode at a lower pressure (0.5 GPa and 1.1 GPa) than other pressure groups. Pressure and temperature effects are evident for groups 1 and 2; however, for groups 3 and 4, the temperature shows a larger effect than pressure and leads to a sharp decrease in Ag and Eg modes. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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10 pages, 16125 KiB

Open AccessArticle

Design and Application of a Rock Porosity Measurement Apparatus under High Isostatic Pressure

by Liyu Liu, Heping Li, Hongbin Zhou, Sen Lin and Shengbin Li

Minerals 2022, 12(2), 127; https://doi.org/10.3390/min12020127 - 21 Jan 2022

Cited by 3 | Viewed by 3154

Abstract

Rock porosity is a key physical parameter at room temperature and pressure that plays an important role in evaluating reserves of oil and natural gas. Research on rock porosity spans over a hundred years. However, in situ porosity under a high isostatic pressure [...] Read more.

Rock porosity is a key physical parameter at room temperature and pressure that plays an important role in evaluating reserves of oil and natural gas. Research on rock porosity spans over a hundred years. However, in situ porosity under a high isostatic pressure has not been adequately explored, and the experimental conditions for measuring porosity remain unclear. To investigate the feasibility of porosity measurement under a high isostatic pressure and the optimal choice of experimental conditions for this, we design an experimental apparatus that can achieve isostatic pressure up to 200 MPa to fit the relationship between the void volume of a given sample and the drop in gas pressure in an empty standard chamber. The effect of experimental parameters, such as the initial gas pressure at the inlet, the time needed for the gas to reach equilibrium, and the time needed for vacuuming, on the porosity experiment was examined. A series of porosity experiments under different isostatic pressures of up to 200 MPa were carried out with this apparatus. The results quantitatively verify the degree to which porosity is related to isostatic pressure. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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11 pages, 518 KiB

Open AccessArticle

Sound Velocity Measurement of Shock-Compressed Quartz at Extreme Conditions

by Liang Sun, Huan Zhang, Zanyang Guan, Weiming Yang, Youjun Zhang, Toshimori Sekine, Xiaoxi Duan, Zhebin Wang and Jiamin Yang

Minerals 2021, 11(12), 1334; https://doi.org/10.3390/min11121334 - 28 Nov 2021

Cited by 1 | Viewed by 1810

Abstract

The physical properties of basic minerals such as magnesium silicates, oxides, and silica at extreme conditions, up to 1000 s of GPa, are crucial to understand the behaviors of magma oceans and melting in Super-Earths discovered to data. Their sound velocity at the [...] Read more.

The physical properties of basic minerals such as magnesium silicates, oxides, and silica at extreme conditions, up to 1000 s of GPa, are crucial to understand the behaviors of magma oceans and melting in Super-Earths discovered to data. Their sound velocity at the conditions relevant to the Super-Earth’s mantle is a key parameter for melting process in determining the physical and chemical evolution of planetary interiors. In this article, we used laser indirectly driven shock compression for quartz to document the sound velocity of quartz at pressures of 270 GPa to 870 GPa during lateral unloadings in a high-power laser facility in China. These measurements demonstrate and improve the technique proposed by Li et al. [PRL 120, 215703 (2018)] to determine the sound velocity. The results compare favorably to the SESAME EoS table and previous data. The Grüneisen parameter at extreme conditions was also calculated from sound velocity data. The data presented in our experiment also provide new information on sound velocity to support the dissociation and metallization for liquid quartz at extreme conditions. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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16 pages, 3654 KiB

Open AccessArticle

Self-Consistent Thermodynamic Parameters of Diopside at High Temperatures and High Pressures: Implications for the Adiabatic Geotherm of an Eclogitic Upper Mantle

by Chang Su, Dawei Fan, Jiyi Jiang, Zhenjun Sun, Yonggang Liu, Wei Song, Yongge Wan, Guang Yang and Wuxueying Qiu

Minerals 2021, 11(12), 1322; https://doi.org/10.3390/min11121322 - 26 Nov 2021

Cited by 2 | Viewed by 1482

Abstract

Using an iterative numerical approach, we have obtained the self-consistent thermal expansion, heat capacity, and Grüneisen parameters of diopside (MgCaSi₂O₆) over wide pressure and temperature ranges based on experimental data from the literature. Our results agree well with the [...] Read more.

Using an iterative numerical approach, we have obtained the self-consistent thermal expansion, heat capacity, and Grüneisen parameters of diopside (MgCaSi₂O₆) over wide pressure and temperature ranges based on experimental data from the literature. Our results agree well with the published experimental and theoretical data. The determined thermodynamic parameters exhibit nonlinear dependences with increasing pressure. Compared with other minerals in the upper mantle, we found that the adiabatic temperature gradient obtained using the thermodynamic data of diopside is larger than that of garnet while lower than that of olivine, when ignoring the Fe incorporation. Combining our results with thermodynamic parameters of garnet obtained in previous studies, we have estimated the adiabatic temperature gradient and geotherm of an eclogitic upper mantle in a depth range of 200–450 km. The results show that the estimated adiabatic temperature gradient of the eclogite model is ~16% and ~3% lower than that of the pyrolite model at a depth of 200 km and 410 km, respectively. However, the high mantle potential temperature of the eclogite model leads to a similar temperature as the pyrolite model in a depth range of 200–410 km. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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Review

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23 pages, 4724 KiB

Open AccessEditor’s ChoiceReview

Some Remarks on the Electrical Conductivity of Hydrous Silicate Minerals in the Earth Crust, Upper Mantle and Subduction Zone at High Temperatures and High Pressures

by Haiying Hu, Lidong Dai, Wenqing Sun, Yukai Zhuang, Kaixiang Liu, Linfei Yang, Chang Pu, Meiling Hong, Mengqi Wang, Ziming Hu, Chenxin Jing, Chuang Li, Chuanyu Yin and Sivaprakash Paramasivam

Minerals 2022, 12(2), 161; https://doi.org/10.3390/min12020161 - 28 Jan 2022

Cited by 6 | Viewed by 2634

Abstract

As a dominant water carrier, hydrous silicate minerals and rocks are widespread throughout the representative regions of the mid-lower crust, upper mantle, and subduction zone of the deep Earth interior. Owing to the high sensitivity of electrical conductivity on the variation of water [...] Read more.

As a dominant water carrier, hydrous silicate minerals and rocks are widespread throughout the representative regions of the mid-lower crust, upper mantle, and subduction zone of the deep Earth interior. Owing to the high sensitivity of electrical conductivity on the variation of water content, high-pressure laboratory-based electrical characterizations for hydrous silicate minerals and rocks have been paid more attention to by many researchers. With the improvement and development of experimental technique and measurement method for electrical conductivity, there are many related results to be reported on the electrical conductivity of hydrous silicate minerals and rocks at high-temperature and high-pressure conditions in the last several years. In this review paper, we concentrated on some recently reported electrical conductivity results for four typical hydrous silicate minerals (e.g., hydrous Ti-bearing olivine, epidote, amphibole, and kaolinite) investigated by the multi-anvil press and diamond anvil cell under conditions of high temperatures and pressures. Particularly, four potential influence factors including titanium-bearing content, dehydration effect, oxidation−dehydrogenation effect, and structural phase transition on the high-pressure electrical conductivity of these hydrous silicate minerals are deeply explored. Finally, some comprehensive remarks on the possible future research aspects are discussed in detail. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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Other

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6 pages, 1325 KiB

Open AccessBrief Report

Study on the Phase Transition from Quartz to Coesite under High Temperature and High Pressure

by Dongsheng Ren

Minerals 2022, 12(8), 963; https://doi.org/10.3390/min12080963 - 29 Jul 2022

Cited by 3 | Viewed by 1315

Abstract

Quartz is an important component of the Earth. In this study, experiments were conducted at temperatures between 600 to 700 °C, confining pressures between 1.5 and 1.8 GPa, and differential stress conditions. It was found that coesite production is closely related to differential [...] Read more.

Quartz is an important component of the Earth. In this study, experiments were conducted at temperatures between 600 to 700 °C, confining pressures between 1.5 and 1.8 GPa, and differential stress conditions. It was found that coesite production is closely related to differential stress, reaction time, and reaction temperature, with coesite formation being a multifactorial coupling process. Full article

(This article belongs to the Special Issue High-Pressure Physical and Chemical Behaviors of Minerals and Rocks)

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