Article
Materials Science, Multidisciplinary
Jai Sharma, Matthew Musselman, Bianca Haberl, Corinne E. Packard
Summary: In situ synchrotron x-ray diffraction was used to study the pressure-induced transition in polycrystalline DyPO4. The onset pressure for the xenotime-monazite transition was found to be 9.1 GPa, with the material showing an anisotropic response to pressure due to shear sensitivity. This research is important for advancing rare earth orthophosphate fiber coating applications in ceramic matrix composites.
Article
Chemistry, Physical
Hang Li, Weibo Hua, Bjoern Schwarz, Martin Etter, Stefan Mangold, Georgian Melinte, Nicola Pietro Maria Casati, Helmut Ehrenberg, Sylvio Indris
Summary: In this study, the structural and electronic changes of LiNiO2 at different temperatures were investigated through thermal treatments. Besides the decomposition process, a series of transformations were discovered under mild conditions, including the reaction with CO2 and the cation off-stoichiometry.
CHEMISTRY OF MATERIALS
(2022)
Article
Physics, Multidisciplinary
Gunnar Weck, Jean-Antoine Queyroux, Sandra Ninet, Frederic Datchi, Mohamed Mezouar, Paul Loubeyre
Summary: The structural transformation of hot dense water ice is investigated in this study. The transition from body-centered-cubic to face-centered-cubic oxygen atoms sublattices is observed and a phase diagram is disclosed. Additionally, the stability field of the body-centered-cubic superionic ice is constrained. The current understanding of warm dense water ice based on ab initio simulations is also discussed.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
Sizhan Liu, Patrick J. West, Hui Zhong, Jianming Bai, Eli Stavitski, Denis Leshchev, Amy C. Marschilok, Esther S. Takeuchi, David C. Bock, Kenneth J. Takeuchi
Summary: In intercalation materials, the kinetics and uniformity of mass transport across the nanocrystalline domains are crucial for the structural reversibility and transport capability at the macroscopic level. This study investigates the origins of compositional and orientational-dependent phase separations in LiNi0.8Mn0.1Co0.1O2 during electrochemical cycling, providing insights into crystallographic orientation-dependent phase inhomogeneity under fast charge and extended cycling.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Hisanori Yamane, Rayko Simura, Junichi Takahashi
Summary: Polycrystalline ceramics of the compound Li10.8Ba1.85Al3.5O12F were synthesized by heating a mixture of Li2O, BaO, Al2O3, and LiF at 1023 K. Single crystals of this compound were obtained through a melt-solidification process. The compound exhibited a trigonal crystal structure with Li split sites and showed good stability in contact with Li metal.
SOLID STATE IONICS
(2023)
Article
Chemistry, Multidisciplinary
Jun Zhang, Haoke Zhang, Junkai Liu, Jacky Wing Yip Lam, Ben Zhong Tang
Summary: This study utilized variable-temperature XRD characterization to investigate the static conformational change and dynamic trajectory of tetraphenylethylene in the solid state, shedding light on the aggregation-induced emission effect. The analysis revealed five types of molecular motions and provided insights into the AIE mechanism.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Physical
Yogesh Kumar, S. Tripathi, Mangla Nand, R. Jangir, V. Srihari, A. Das, R. Singh, U. Deshpande, S. N. Jha, A. Arya
Summary: This study investigated the effect of Nd doping on the structural, optical, and electronic properties of lanthanum monazite structure. Pure and Nd-doped LaPO4 powders were prepared and analyzed for their composition, oxidation states, crystal structure, and bandgaps. The results confirmed the successful substitution of Nd in the LaPO4 matrix and provided insights into the local structure using extended X-ray absorption fine structure analysis.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Inorganic & Nuclear
Zoran Mazej, Evgeny Goreshnik
Summary: Crystal growth from anhydrous hydrogen fluoride solutions of M2+ (M=Cu, Ag) and [AuF6](-) yielded M(AuF6)(2) salts (M=Cu, Ag), while attempts to prepare single crystals of the corresponding nickel, zinc, and magnesium salts were unsuccessful. The crystal structure of Cu(AuF6)(2) consists of layered slabs formed by the connection between Cu2+ cations and [AuF6](-) anions through van der Waals interactions. The crystal structure of Ag(AuF6)(2) is a three-dimensional framework where Ag+ cations are linked by [AuF6](-) anions. Both structures belong to the M-II((XF6)-F-V)(2) family, which has seven observed structure types. In the crystal structure of O-2(CuF)(3)(AuF6)(4) center dot HF, bridging AuF6 units connect [-Cu-F-Cu-F-](infinity) chains to form stacks, with O-2(+) cations and HF molecules located between the stacks.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
James Louis-Jean, Harry Jang, Frederic Poineau
Summary: The thermal behavior of (NH4)(2)[Re2F8]·2H2O salt was studied, and the decomposition products were analyzed using different techniques. Different metal forms were observed at different temperatures, and a mechanism for the formation of metal from the salt was proposed. The effects of crystallite size and lattice strain were evaluated using different methods.
RESEARCH ON CHEMICAL INTERMEDIATES
(2023)
Article
Biochemistry & Molecular Biology
Brittany Foley, Clement Guibert, Mohamed Selmane, Alberto Mezzetti, Caroline Lefebvre, Karim El Kirat, Jessem Landoulsi
Summary: In this study, the effects of enzyme substrate concentration and fluoride concentration on the obtained minerals in enzyme-assisted mineralization were investigated. X-ray diffraction, infrared spectroscopy, and X-ray photoelectron spectroscopy were used to analyze the crystal structure and chemical composition of the minerals. The results showed the formation of substituted hydroxyapatite in all conditions, with expansion of the crystal unit cell parameters when the enzyme substrate concentration increased, and contraction of the crystal unit cell parameters and the formation of elongated, well-crystallized rods when the fluoride concentration increased. Complementary IR and XPS data indicated that these trends were explained by the incorporation of substituted ions in the hydroxyapatite lattice at different positions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Electrochemistry
Zhaoshun Wang, Yong Wang, Dechao Meng, Qinfeng Zheng, Yixiao Zhang, Feipeng Cai, Di Zhu, Jiabing Liu, Yushi He, Liwei Chen, Zi-Feng Ma, Linsen Li
Summary: The O2-type layered oxide cathode materials have gained significant research attention due to their high specific capacity and unique lattice structure. In this study, we investigated the structural, chemical, and morphological changes during ion-exchange processes for the preparation of these materials using LiBr/hexanol solution and LiNO3/LiCl molten salts. The solution method was found to be preferable for preparing high-capacity O2-type cathode materials, despite slower structural reorganization compared to the molten-salt method. It was discovered that the as-made O2-type cathode materials were actually Li-deficient at their pristine states but could accept more Li ions during the first charge/discharge cycle.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Lukas Brieger, Tobias Schrimpf, Rebecca Scheel, Christian Unkelbach, Carsten Strohmann
Summary: This article investigates the metalation of N,N-dimethylaminomethylferrocene by superbase and the preparation of enantiomerically pure superbase. Quantum chemical calculations provide insights into the mechanism of substrate-reagent interaction, and a closer look at the reaction site is presented through experimental studies.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Shuo Feng, Rajesh Kumar Singh, Yucheng Fu, Zhuo Li, Yulong Wang, Jie Bao, Zhijie Xu, Guosheng Li, Cassidy Anderson, Lili Shi, Yuehe Lin, Peter G. Khalifah, Wei Wang, Jun Liu, Jie Xiao, Dongping Lu
Summary: In this study, a simple strategy was demonstrated for constructing low-tortuosity through-pores in both vertical and planar directions of electrodes by casting large particles into single-particle-layer electrodes. Through multi-scale characterizations and simulations, correlations between material/electrode structures, electrolyte permeability, polysulfide migration, and sulfur reactions were elucidated. The high-loading and dense sulfur cathode fabricated by this method delivers a high specific capacity at a very low electrolyte/sulfur ratio.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Multidisciplinary Sciences
M. I. Eremets, V. S. Minkov, P. P. Kong, A. P. Drozdov, S. Chariton, V. B. Prakapenka
Summary: The recent progress in generating static pressures up to terapascal values opens opportunities for studying novel materials with unusual properties. We have developed a universal high-pressure scale based on the shift of the Raman edge of stressed diamond anvils correlated with the equation of state of Au. This scale allows for accurate evaluation of pressures up to 0.5 terapascal and has revealed lower pressure values compared to existing scales.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Hisanori Yamane, Takuji Ikeda
Summary: A white bulk sample of Li2.10Sn0.90O2.85 was prepared by heating a compact pellet of a Li2O and SnO2 powder mixture at 1000 degrees C. The crystal structure was determined through X-ray diffraction and Li-6 magic-angle-spinning nuclear magnetic resonance (NMR) spectroscopy was used to reveal the distribution of Li+ ions. Li+ conductivity of the sample measured at 25 degrees C was significantly higher compared to Li2SnO3.
SOLID STATE IONICS
(2021)
Article
Geochemistry & Geophysics
Donghoon Kim, Sally J. Tracy, Raymond F. Smith, Arianna E. Gleason, Cindy A. Bolme, Vitali B. Prakapenka, Karen Appel, Sergio Speziale, June K. Wicks, Eleanor J. Berryman, Sirus K. Han, Markus O. Schoelmerich, Hae Ja Lee, Bob Nagler, Eric F. Cunningham, Minta C. Akin, Paul D. Asimow, Jon H. Eggert, Thomas S. Duffy
Summary: Through laser-shocked in situ X-ray diffraction study, it was found that under high pressure, forsterite and the metastable phase of Mg2SiO4 coexist in a mixed-phase region, with density data consistent with previous studies. At higher stress levels, the response of samples varies, with polycrystalline samples becoming amorphous and a mixture of crystalline and amorphous material observed in oriented crystals.
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
(2021)
Article
Geochemistry & Geophysics
Wenzhong Wang, Jiachao Liu, Hong Yang, Susannah M. Dorfman, Mingda Lv, Jie Li, Feng Zhu, Jiyong Zhao, Michael Y. Hu, Wenli Bi, Ercan E. Alp, Yuming Xiao, Zhongqing Wu, Jung-Fu Lin
Summary: The isotopic compositions of iron in major mantle minerals reflect chemical exchange between deep-Earth reservoirs influenced by early differentiation and ongoing plate tectonics processes. Through their study, it was found that the spin transition of iron site under lower-mantle conditions has a significant impact on the Fe partition function ratio of Bdg.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2021)
Article
Geosciences, Multidisciplinary
F. Coppari, R. F. Smith, J. Wang, M. Millot, D. Kim, J. R. Rygg, S. Hamel, J. H. Eggert, T. S. Duffy
Summary: The discovery of a significant number of extrasolar planets challenges our understanding of the Solar System's planet formation and evolution. Many exoplanets are rocky and more massive than Earth, with complex stratification and rheology in their deep interiors.
Article
Geochemistry & Geophysics
Daniel A. Frost, Margaret S. Avery, Bruce A. Buffett, Bethany A. Chidester, Jie Deng, Susannah M. Dorfman, Zhi Li, Lijun Liu, Mingda Lv, Joshua F. Martin
Summary: In this study, an interdisciplinary analysis is used to co-constrain core-mantle boundary heat flow and test the thermal boundary layer theory. The seismic properties consistent with a thermal boundary layer are described, and support for the existence of a long-lived basal mantle molten layer through much of Earth's history is provided.
GEOCHEMISTRY GEOPHYSICS GEOSYSTEMS
(2022)
Article
Multidisciplinary Sciences
Rajkrishna Dutta, Sally June Tracy, R. E. Cohen, Francesca Miozzi, Kai Luo, Jing Yang, Pamela C. Burnley, Dean Smith, Yue Meng, Stella Chariton, Vitali B. Prakapenka, Thomas S. Duffy
Summary: In this study, the high-pressure behavior of magnesium germanate was investigated using experimental and computational methods. A highly coordinated and intrinsically disordered phase was observed, which may have important implications for the interior mineralogy of large rocky extrasolar planets.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Materials Science, Multidisciplinary
Susannah M. Dorfman, Shah Najiba, Bella Arroyo, Samantha Theuer, Mingda Lv, Benjamin L. Brugman
Summary: The elastic and plastic properties of materials, as well as phase transitions, are influenced by both hydrostatic pressure and deviatoric stress under extreme conditions. A combination of diamond anvil cell and thin film technology was used to generate and measure controlled deviatoric stress at high pressures. This technique provides a means to evaluate the elastic and plastic response of thin films under extreme stress.
PHYSICS AND CHEMISTRY OF MINERALS
(2022)
Article
Multidisciplinary Sciences
D. Kim, R. F. Smith, I. K. Ocampo, F. Coppari, M. C. Marshall, M. K. Ginnane, J. K. Wicks, S. J. Tracy, M. Millot, A. Lazicki, J. R. Rygg, J. H. Eggert, T. S. Duffy
Summary: This study determines the atomic-level structure of silicon carbide under high pressure and presents the mass-radius curves for a hypothetical pure SiC planet, which is found to be 10% less dense than terrestrial planets.
NATURE COMMUNICATIONS
(2022)
Article
Physics, Applied
Raymond F. Smith, Vinay Rastogi, Amy E. Lazicki, Martin G. Gorman, Richard Briggs, Amy L. Coleman, Carol Davis, Saransh Singh, David McGonegle, Samantha M. Clarke, Travis Volz, Trevor Hutchinson, Christopher McGuire, Dayne E. Fratanduono, Damian C. Swift, Eric Folsom, Cynthia A. Bolme, Arianna E. Gleason, Federica Coppari, Hae Ja Lee, Bob Nagler, Eric Cunningham, Philip Heimann, Richard G. Kraus, Robert E. Rudd, Thomas S. Duffy, Jon H. Eggert, June K. Wicks
Summary: Combining an x-ray free electron laser with a high-power laser driver allows for the study of equations-of-state, high strain-rate deformation processes, structural phase transitions, and transformation pathways under high pressure conditions. The results of shock compression and x-ray diffraction experiments on slurry targets provide valuable insights into the properties of embedded grains.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Physics, Applied
Vinay Rastogi, Raymond F. Smith, Damian C. Swift, Richard Briggs, Martin G. Gorman, Connor Krill, Amy L. Coleman, Dayne E. Fratanduono, Jon H. Eggert, Cynthia A. Bolme, Federica Coppari, Arianna Gleason, Hae Ja Lee, Philip Heimann, Thomas S. Duffy, June K. Wicks
Summary: The phase diagram of sodium chloride under laser shock compression has been investigated using in situ x-ray diffraction and other techniques, revealing solid-solid and solid-liquid transitions. The results show that the equilibrium states in NaCl are accessed over nanosecond time scales, and a multiphase equation-of-state is used to interpret the pressure and temperature evolution.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Physics, Fluids & Plasmas
A. Krygier, C. E. Wehrenberg, J. V. Bernier, S. Clarke, A. L. Coleman, F. Coppari, T. S. Duffy, M. G. Gorman, M. Hohenberger, D. Kalantar, G. E. Kemp, S. F. Khan, C. Krauland, R. G. Kraus, A. Lazicki, M. J. MacDonald, A. G. MacPhee, E. Marley, M. C. Marshall, M. May, J. M. McNaney, M. Millot, Y. Ping, P. L. Poole, J. R. Rygg, M. Schneider, H. Sio, S. Stoupin, D. Swift, C. Yeamans, T. Zobrist, R. F. Smith, J. H. Eggert
Summary: X-ray diffraction is a powerful measurement technique for determining material properties. It is now possible to perform these experiments at pressures exceeding 1 TPa, using metal foils as the X-ray source. This study characterizes the performance of the Ge foil X-ray source over more than 60 experiments, constraining the level of diffraction sample heating and discussing its impact on the thermodynamic state.
PHYSICS OF PLASMAS
(2022)
Article
Physics, Condensed Matter
Anirudh Hari, Rohit Hari, Patrick G. Heighway, Raymond F. Smith, Thomas S. Duffy, Melissa Sims, Saransh Singh, Dayne E. Fratanduono, Cynthia A. Bolme, Arianna E. Gleason, Federica Coppari, Hae Ja Lee, Eduardo Granados, Philip Heimann, Jon H. Eggert, June K. Wicks
Summary: In this study, laser-driven shock compression experiments were conducted on polycrystalline alumina, and it was observed that the material undergoes a phase transformation at 107 GPa and reverts back upon release of pressure. The density upon release was lower than predicted, indicating lattice expansion due to plastic work heating. An estimate of alumina's strength upon release from shock compression was provided based on temperature values calculated from density measurements.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Geochemistry & Geophysics
M. J. Rucks, J. M. Winey, Y. Toyoda, Y. M. Gupta, T. S. Duffy
Summary: Natural fluorapatite from Durango, Mexico exhibits elastic and inelastic responses under shock wave loading between 14.5 and 119.5 GPa. At shock pressures above 80 GPa, fluorapatite undergoes a transition to a denser structure, exceeding the predicted density. The shock response of fluorapatite is similar to enstatite but stiffer than quartz and albite at the examined stresses.
JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS
(2023)
Article
Geochemistry & Geophysics
Melinda J. J. Rucks, Gregory J. J. Finkelstein, Dongzhou Zhang, Przemyslaw K. K. Dera, Thomas S. S. Duffy
Summary: In this study, the behavior of a natural fluorapatite crystal under compression was examined. The results showed that the apatite structure remained stable up to 32.4 GPa, and then transformed into a triclinic phase at 35.6 GPa. The study extended the pressure range over which fluorapatite has been examined, providing new insights into its structural response to high-pressure conditions.
AMERICAN MINERALOGIST
(2023)
Article
Materials Science, Multidisciplinary
I. K. Ocampo, J. M. Winey, Y. Toyoda, T. S. Duffy
Summary: AX2-type compounds exhibit a rich and complex series of phase transitions under compression. MgF2, as an analog for SiO2 and other dioxides, shows elastic-inelastic response and phase transformations at different stress ranges. The study provides important insights into the pressure behavior and phase transition mechanisms of AX2-type compounds.
Article
Materials Science, Multidisciplinary
Sirus K. Han, Raymond F. Smith, Donghoon Kim, June K. Wicks, J. Ryan Rygg, Amy Lazicki, Jon H. Eggert, Thomas S. Duffy
Summary: The study investigates the high-pressure behavior and polymorphism of gold by dynamically compressing it up to 690 GPa, revealing its transformation from the face-centered cubic phase to the body-centered cubic phase under extreme conditions. The results are in line with recent shock-compression experiments and provide insight into the phase transition characteristics of gold under different loading conditions.
