A Themed Issue in Honour of Professor Alexandra Navrotsky on the Occasion of Her 80th Birthday

A special issue of Solids (ISSN 2673-6497).

Deadline for manuscript submissions: 30 June 2024 | Viewed by 3792

Special Issue Editor

Prof. Dr. Sophie Guillemet-Fritsch
E-Mail Website1 Website2
Guest Editor
CIRIMAT (Centre InterUniversitaire de Recherche et d’Ingénierie des Matériaux), Université de Toulouse 3 Paul Sabatier, CNRS, UPS, INP, 31062 Toulouse Cedex 9, France
Interests: ceramics; sintering; 3D shaping; capacitors; substrate; electronics & power electronics; environment

Special Issue Information

Dear Colleagues,

This special issue of Solids celebrates the accomplishment of Professor Alexandra Navrotsky on the occasion of her 80th birthday, for her long and outstanding career. Alexandra has made major contributions to both mineralogy/geochemistry and to solid state chemistry/materials science in the fields of ceramics, mantle mineralogy and deep earth geophysics, melt and glass science, nanomaterials and porous materials.

Alexandra was educated at the Bronx High School of Science and received her B.S., M.S. and Ph.D. in Physical Chemistry from the University of Chicago. After postdoctoral work in Germany and at Penn State University, she joined the faculty of Chemistry at Arizona State University, where she remained until her move to the Department of Geological and Geophysical Sciences at Princeton University in 1985. She chaired that department from 1988 to 1991 and was active at the Princeton Materials Institute. In 1997, she became an interdisciplinary Professor of Ceramic, Earth and Environment Materials Chemistry at the University of California at Davis and was appointed Edward Roessler Chair in Mathematical and Physical Sciences in 2001. She served as interim Dean of Mathematical and Physical Sciences, College of Letters and Science, UC Davis from 2013 to 2017. She organized the NEAT (Nano and New Materials in Energy, the Environment, Agriculture, and Technology) research group in 2002 and has directed the Peter A. Rock Thermochemistry Laboratory since her arrival in 1997. In 2019, Alexandra moved back to Arizona State University as a Professor and Regents Professor (since 2022) in the School of Molecular Sciences and the School for Engineering of Matter, Transport and Energy at ASU. She is also the Director of the Navrotsky Eyring Center for Materials of the Universe.

Alexandra's research interests have centered on relating microscopic features of structure and bonding to macroscopic thermodynamic behavior in minerals, ceramics, and other complex materials. Since 1997, Alexandra has designed, enhanced and built a unique high-temperature calorimetry facility. She introduced and applied the method for measuring the energetics of numerous materials, which provides insight into chemical bounding, order-disorder reactions, and phase transitions.

Throughout her exceptional career, Alexandra has always collaborated with scientists from all over the world. She has published over 1100 publications and her h factor = 87 testifies her celebrity and her huge contribution in many fields.

As acknowledgment of her outstanding contributions, Alexandra has received tremendous honors including an Alfred P. Sloan Fellowship (1973); Mineralogical Society of America Award (1981); American Geophysical Union Fellow (1988); Vice-President, Mineralogical Society of America (1991–1992), President (1992–1993); Geochemical Society Fellow (1997). She spent five years (1986–1991) as Editor, Physics and Chemistry of Minerals, and serves on numerous advisory committees and panels in both government and academy. She was elected to the National Academy of Sciences in 1993. In 1995 she received the Ross Coffin Purdy Award from the American Ceramic Society and was awarded the degree of Doctor Honoris Causa from Uppsala University, Sweden. In 2002 she was awarded the Benjamin Franklin Medal in Earth Science. In 2004, she was elected a Fellow of The Mineralogical Society (Great Britain) and awarded the Urey Medal (the highest career honor of the European Association of Geochemistry). In 2005, she received the Spriggs Phase Equilibria Award. In 2006, she received the Harry H. Hess Medal of the American Geophysical Union. In October 2009, she received the Roebling Medal (the highest honor of the Mineralogical Society of America). In 2011, she became a member of the American Philosophical Society. In 2016 she received the Victor M. Goldschmidt Award from the Geochemical Society and the W. David Kingery Award from the American Ceramic Society. The World Academy of Ceramics elected Prof. Navrotsky to Science Professional Member in 2017.

Recently, a newly discovered mineral K2Na10(UO2)3(SO4)9•2H2O was named Navrotskyite in her honor.

On the occasion of her 80th birthday we are delighted to have compiled in this Special Issue of Solids contributions from friends and colleagues from all over the world, covering a wide range of areas.

This compilation is the witness of the gratitude and the great honor to have work with Alexandra, and the inspiration she is for many scientists.

The aim of the special issue is to put together articles from the biomineralization, geochemistry, mineralogy and materials community that show new achievements, and moving steps towards understanding of the structure and stability of nanomaterials along with their dependance of temperature and pressure, the energy of phase transformation, etc.

In this Special Issue, original research articles and reviews are welcome. We look forward to receiving your contributions in the different fields mentioned above including, but not limited to:

  • Phase structure and stability;
  • Energy and transformation in complex systems;
  • Surfaces and interfaces;
  • Experimental Thermodynamics;
  • Energetics of nanomaterials.

Prof. Dr. Sophie Guillemet-Fritsch
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. Solids is an international peer-reviewed open access quarterly 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 1000 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.

Keywords

  • energetics
  • phase transformation
  • complex system
  • solids
  • surfaces
  • interfaces
  • experimental thermodynamics

Published Papers (5 papers)

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Research

13 pages, 6456 KiB  
Article
Uncovering the Effects of Non-Hydrostaticity on Pressure-Induced Phase Transformation in Xenotime-Structured TbPO4
Solids 2024, 5(1), 110-122; https://doi.org/10.3390/solids5010008 - 16 Feb 2024
Viewed by 240
Abstract
The pressure-induced phase transformations of rare earth orthophosphates (REPO4s) have become increasingly relevant in ceramic matrix composite (CMC) research; however, understanding of the shear-dependence of these transformations remains limited. This study employs diamond anvil cell experiments with three pressure media (neon, [...] Read more.
The pressure-induced phase transformations of rare earth orthophosphates (REPO4s) have become increasingly relevant in ceramic matrix composite (CMC) research; however, understanding of the shear-dependence of these transformations remains limited. This study employs diamond anvil cell experiments with three pressure media (neon, KCl, sample itself/no medium) to systematically assess the effect of shear on the phase transformations of TbPO4. Results show a lowering of the TbPO4 transformation onset pressure (Ponset) as well as an extension of the xenotime–monazite phase coexistence range under non-hydrostatic conditions. The TbPO4 Ponset under no medium (4.4(3) GPa) is the lowest REPO4 Ponset reported to date and represents a ~50% drop from the hydrostatic Ponset. Enthalpic differences likely account for lower Ponset values in TbPO4 compared to DyPO4. Experiments also show scheelite may be the post-monazite phase of TbPO4; this phase is consistent with observed and predicted REPO4 transformation pathways. Full article
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12 pages, 4701 KiB  
Article
Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18
Solids 2023, 4(4), 344-355; https://doi.org/10.3390/solids4040022 - 17 Nov 2023
Viewed by 637
Abstract
Reported herein are the synthesis and crystal chemistry analysis of the Zintl phase Sr21Cd4Sb18. Single crystals of this compound were grown using the Sn-flux method, and structural characterization was carried out using single-crystal X-ray diffraction. Crystal data: [...] Read more.
Reported herein are the synthesis and crystal chemistry analysis of the Zintl phase Sr21Cd4Sb18. Single crystals of this compound were grown using the Sn-flux method, and structural characterization was carried out using single-crystal X-ray diffraction. Crystal data: Monoclinic space group C2/m (No. 12, Z = 4); a = 18.2536(6) Å, b = 17.4018(5) Å, and c = 17.8979(6) Å, β = 92.024(1)°. The structure is based on edge- and corner-shared CdSb4 tetrahedra, which ultimately form octameric [Cd8Sb22] fragments, where two symmetry-equivalent subunits are connected via a homoatomic Sb–Sb interaction. The electronic band structure calculations contained herein reveal the emergence of a direct gap between the valence and the conduction bands. Full article
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17 pages, 1491 KiB  
Article
Thermodynamic Properties as a Function of Temperature of AlMoNbV, NbTaTiV, NbTaTiZr, AlNbTaTiV, HfNbTaTiZr, and MoNbTaVW Refractory High-Entropy Alloys from First-Principles Calculations
Solids 2023, 4(4), 327-343; https://doi.org/10.3390/solids4040021 - 06 Nov 2023
Viewed by 841
Abstract
Refractory high-entropy alloys (RHEAs) are strong candidates for use in high-temperature engineering applications. As such, the thermodynamic properties as a function of temperature for a variety of RHEA systems need to be studied. In the present work, thermodynamic quantities such as entropy, enthalpy, [...] Read more.
Refractory high-entropy alloys (RHEAs) are strong candidates for use in high-temperature engineering applications. As such, the thermodynamic properties as a function of temperature for a variety of RHEA systems need to be studied. In the present work, thermodynamic quantities such as entropy, enthalpy, heat capacity at constant volume, and linear thermal expansion are calculated for three quaternary and three quinary single-phase, BCC RHEAs: AlMoNbV, NbTaTiV, NbTaTiZr, AlNbTaTiV, HfNbTaTiZr, and MoNbTaVW. First-principle calculations based on density functional theory are used for the calculations, and special quasirandom structures (SQSs) are used to represent the random solid solution nature of the RHEAs. A code for the finite temperature thermodynamic properties using the Debye-Grüneisen model is written and employed. For the first time, the finite temperature thermodynamic properties of all 24 atomic configuration permutations of a quaternary RHEA are calculated. At most, 1.7% difference is found between the resulting properties as a function of atomic configuration, indicating that the atomic configuration of the SQS has little effect on the calculated thermodynamic properties. The behavior of thermodynamic properties among the RHEAs studied is discussed based on valence electron concentration and atomic size. Among the quaternary RHEAs studied, namely AlMoNbV, NbTaTiZr, and NbTaTiV, it is found that the presence of Zr contributes to higher entropy. Additionally, at lower temperatures, Zr contributes to higher heat capacity and thermal expansion compared to the alloys without Zr, possibly due to its valence electron concentration. At higher temperatures, Al contributes to higher heat capacity and thermal expansion, possibly due its ductility. Among the quinary systems, the presence of Mo, W, and/or V causes the RHEA to have a lower thermal expansion than the other systems studied. Finally, when comparing the systems with the NbTaTi core, the addition of Al increases thermal expansion, while the removal of Zr lowers the thermal expansion. Full article
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17 pages, 1894 KiB  
Article
Evaluating Phonon Characteristics by Varying the Layer and Interfacial Thickness in Novel Carbon-Based Strained-Layer Superlattices
Solids 2023, 4(4), 287-303; https://doi.org/10.3390/solids4040018 - 01 Oct 2023
Viewed by 680
Abstract
Systematic results of lattice dynamical calculations are reported as a function of m and n for the novel (SiC)m/(GeC)n superlattices (SLs) by exploiting a modified linear-chain model and a realistic rigid-ion model (RIM). A bond polarizability method is employed to [...] Read more.
Systematic results of lattice dynamical calculations are reported as a function of m and n for the novel (SiC)m/(GeC)n superlattices (SLs) by exploiting a modified linear-chain model and a realistic rigid-ion model (RIM). A bond polarizability method is employed to simulate the Raman intensity profiles (RIPs) for both the ideal and graded (SiC)10-Δ/(Si0.5Ge0.5C)Δ/(GeC)10-Δ/(Si0.5Ge0.5C)Δ SLs. We have adopted a virtual-crystal approximation for describing the interfacial layer thickness, Δ (≡0, 1, 2, and 3 monolayers (MLs)) by selecting equal proportions of SiC and GeC layers. Systematic variation of Δ has initiated considerable upward (downward) shifts of GeC-(SiC)-like Raman peaks in the optical phonon frequency regions. Our simulated results of RIPs in SiC/GeC SLs are agreed reasonably well with the recent analyses of Raman scattering data on graded short-period GaN/AlN SLs. Maximum changes in the calculated optical phonons (up to ±~47 cm−1) with Δ = 3, are proven effective for causing accidental degeneracies and instigating localization of atomic displacements at the transition regions of the SLs. Strong Δ-dependent enhancement of Raman intensity features in SiC/GeC are considered valuable for validating the interfacial constituents in other technologically important heterostructures. By incorporating RIM, we have also studied the phonon dispersions [ωjSLq] of (SiC)m/(GeC)n SLs along the growth [001] as well as in-plane [100], [110] directions [i.e., perpendicular to the growth]. In the acoustic mode regions, our results of ωjSLq  have confirmed the formation of mini-gaps at the zone center and zone edges while providing strong evidences of the anti-crossing and phonon confinements. Besides examining the angular dependence of zone-center optical modes, the results of phonon folding, confinement, and anisotropic behavior in (SiC)m/(GeC)n are compared and contrasted very well with the recent first-principles calculations of (GaN)m/(AlN)n strained layer SLs. Full article
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19 pages, 1307 KiB  
Article
Pressure-Dependent Crystal Radii
Solids 2023, 4(3), 235-253; https://doi.org/10.3390/solids4030015 - 28 Aug 2023
Cited by 1 | Viewed by 790
Abstract
This article reports the pressure-dependent crystal radii of Mg, Si, Ge, Be, Fe, Ca, Sr, Ba, Al, Ti, Li, Na, K, Cs, and of some rare earths, that is: the major Earth mantle elements, important minor, and some trace elements. Pressure dependencies of [...] Read more.
This article reports the pressure-dependent crystal radii of Mg, Si, Ge, Be, Fe, Ca, Sr, Ba, Al, Ti, Li, Na, K, Cs, and of some rare earths, that is: the major Earth mantle elements, important minor, and some trace elements. Pressure dependencies of O2−, Cl, and Br are also reported. It is shown that all examined cation radii vary linearly with pressure. Cation radii obey strict correlations between ionic compressibilities and reference 0 GPa radii, thus reducing previous empirical rules of the influence of valence, ion size, and coordination to a simple formula. Both cation and anion radii are functions of nuclear charge number and a screening function which for anions varies with pressure, and for cations is pressure-independent. The pressure derivative of cation radii and of the anion radii at high pressure depends on electronegativity with power −1.76. Full article
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