Article
Geochemistry & Geophysics
Fei Wang, Elizabeth C. Thompson, Dongzhou Zhang, Jingui Xu, Ercan E. Alp, Steven D. Jacobsen
Summary: This study investigates the deformation and hydrogen bonding structure of Wadsleyite crystal under high pressures, finding that pressure can affect crystal symmetry and structure distortion, as well as the length of the primary hydrogen bond. The primary O1-H hydrogen bond in Wadsleyite becomes highly nonlinear at high pressures.
AMERICAN MINERALOGIST
(2023)
Article
Geochemistry & Geophysics
Wei Sun, Takashi Yoshino, Naoya Sakamoto, Hisayoshi Yurimoto
Summary: The study found that hydrogen diffusion in wadsleyite is influenced by multiple mechanisms, with proton and deuteron migrating along interstitial defects being particularly efficient possibly due to a quantum sieving effect. The resulting diffusion-driven H/D fractionation can explain the observed deuterium depletion of NAMs in mantle xenoliths, highlighting that inclusions hosted in xenoliths are more reliable indicators of the mantle's hydrogen isotope composition compared to the xenolithic NAMs.
EARTH AND PLANETARY SCIENCE LETTERS
(2021)
Article
Geochemistry & Geophysics
Nobuyoshi Miyajima, Johannes Buchen, Takaaki Kawazoe
Summary: Twins in hydrous wadsleyite were observed and characterized using microscopy techniques. The twins have a reduced symmetry compared to anhydrous wadsleyite. They are related to each other by rotations or reflections, corresponding to specific directions and planes in ringwoodite. The formation of twins is likely influenced by the presence of a hydrous fluid during crystal growth under quasi-hydrostatic conditions. This twinning may impact the physical properties, deformation behavior, and phase transition of wadsleyite in Earth's mantle transition zone.
AMERICAN MINERALOGIST
(2023)
Article
Geosciences, Multidisciplinary
Dong Wang, Zhongqing Wu, Xin Deng
Summary: The thermal conductivity of minerals is an important parameter in the Earth's evolution and dynamics. This study predicted the thermal conductivity of dry and hydrous wadsleyite under high pressure and temperature using non-equilibrium molecular dynamics and machine learning potential. The research found that the presence of water reduces the thermal conductivity of wadsleyite in the mantle transition zone and affects the heat flow direction.
GEOPHYSICAL RESEARCH LETTERS
(2022)
Article
Chemistry, Physical
K. Itoh, J. Saida, E. R. Barney, A. C. Hannon
Summary: The occupation of interatomic hole sites by deuterium in a deuterated Ni67Zr33 amorphous alloy was investigated using diffraction measurements and simulation techniques. The results show that deuterium atoms occupy various types of polyhedral hole sites, as well as tetrahedral ones. The occupation of different hole sites has different effects on the volume of the material.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Geochemistry & Geophysics
Yang Jin, Weihua Huang, ZhongPing Wang, Wei Sun, Yan Liu, Qunke Xia, Yan Yang
Summary: This study investigates the hydrogen defects and framework behavior of wadsleyite and ringwoodite under high temperature and high pressure using in situ high-temperature infrared spectroscopy and in situ high-temperature and high pressure Raman spectroscopy. The results reveal that wadsleyite has a higher dehydrogenation temperature than ringwoodite, and the hydrogen defects and framework stability of these two minerals are temperature and pressure sensitive. These findings are crucial for understanding the water solubility and physical properties of wadsleyite and ringwoodite.
AMERICAN MINERALOGIST
(2023)
Article
Chemistry, Inorganic & Nuclear
P. C. Li, J. W. Zhang, J. T. Hu, G. Huang, L. Xie, H. Y. Xiao, X. S. Zhou, Y. H. Xia, J. C. Zhang, H. H. Shen, X. T. Zu
Summary: A series of TiZrHfMoNb hydrides/deuterides were synthesized and characterized to study the relationship between thermal stability and structure. The results showed that the lattice constant and cell volume of TiZrHfMoNb hydrides increase with higher hydrogen content, leading to decreased desorption temperature and decreased thermal stability. Deuterides were found to be more stable than hydrides, with deuterium atoms occupying different interstitial sites depending on the crystal structure.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Geochemistry & Geophysics
Lu Liu, Ziqiang Yang, Hongsheng Yuan, Yue Meng, Nico Giordano, Junliang Sun, Xueyan Du, Philip Dalladay-Simpson, Junyue Wang, Li Zhang
Summary: In this study, the crystal structure of an iron-rich hexagonal hydrous phase (HH1-phase) in the deep lower mantle was determined. The HH1-phase serves as the major water storage in pyrolitic composition and Al-rich CaCl2-type delta-phase and SiO2 phase serve as the major water storage phases in basaltic composition. Incorporating SiO2, MgO, and Al2O3 into the HH1-phase increases its stability field in the Mg-Si-Al-Fe-O-H system.
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
(2022)
Article
Geochemistry & Geophysics
Yungui Liu, Rong Huang, Ye Wu, Dongzhou Zhang, Junfeng Zhang, Xiang Wu
Summary: In this study, phase egg was found to undergo a first-order phase transition under specific pressure conditions, showing negative buoyancy force that may affect deep-water transportation. Additionally, topaz-OH can transform into phase egg, and phase egg can decompose into different phases under various conditions.
CONTRIBUTIONS TO MINERALOGY AND PETROLOGY
(2021)
Article
Chemistry, Physical
Hideki Tanaka, Masakazu Matsumoto, Takuma Yagasaki
Summary: The study examines the anisotropic thermal expansivities of hydrogen-ordered ice IX and hydrogen-disordered ice III, identifying negative thermal expansion along the a-axis and positive expansion along the c-axis at low temperatures. Nonaffine deformation is crucial for theoretical calculations of thermal properties, with unstable modes shifting the potential minimum energy positions.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Geosciences, Multidisciplinary
Nao Cai, Xintong Qi, Ting Chen, Siheng Wang, Tony Yu, Yanbin Wang, Toru Inoue, Duojun Wang, Baosheng Li
Summary: The study investigated the wave velocities of phase A under pressure and temperature conditions, as well as its impact on the wave velocities of harzburgite lithology. The results indicate that hydration can increase the wave velocities of the rock.
GEOPHYSICAL RESEARCH LETTERS
(2021)
Review
Materials Science, Paper & Wood
Yan Song, Xianzhi Meng, Wei Jiang, Barbara R. Evans, Haoxi Ben, Yuanming Zhang, Yunqiao Pu, Sai Venkatesh Pingali, Brian H. Davison, Sai Zhang, Guangting Han, Arthur J. Ragauskas
Summary: Deuterated cellulose has significant applications in neutron scattering studies, providing insights into the structure and interactions of cellulose in plant cell walls.
Article
Geochemistry & Geophysics
Goru Takaichi, Masayuki Nishi, Youmo Zhou, Shinichi Machida, Ginga Kitahara, Akira Yoshiasa, Tetsuo Irifune
Summary: Recent experiments have demonstrated that the addition of aluminum significantly improves the thermal stability of hydrous minerals. In this study, the phase relationships of hydrous aluminosilicates in the AlOOH-AlSiO3OH system were investigated under high-pressure and high-temperature conditions. The results showed that the AlSiO4H phase Egg forms a solid solution with d-AlOOH above 1500 K, and two unknown hydrous aluminosilicates with compositions Al2.03Si0.97O6H2.03 and Al2.11Si0.88O6H2.11 appeared at temperatures above 1800 K. These phases can host significant amounts of water, suggesting a potential water reservoir in the mantle transition zone and uppermost lower mantle.
AMERICAN MINERALOGIST
(2023)
Article
Geosciences, Multidisciplinary
Qingyang Hu, Jin Liu
Summary: Research on synthesizing pyrite-type FeO2 and FeO2H under pressure-temperature conditions relevant to the Earth's deep lower mantle, which is crucial for understanding chemical heterogeneities and seismological anomalies at the bottom of the mantle.
GEOSCIENCE FRONTIERS
(2021)
Article
Materials Science, Multidisciplinary
Hou -Bo Zhou, Zi-Bing Yu, Feng-xia Hu, Jian-Tao Wang, Fei-Ran Shen, Jia-Zheng Hao, Lun-Hua He, Qing-Zhen Huang, Yi-Hong Gao, Bing-Jie Wang, Zhuo Yin, Zheng-Ying Tian, Jing Wang, Yun-Zhong Chen, Ji-Rong Sun, Tong-Yun Zhao, Bao-Gen Shen
Summary: This study reports the emergence of the Invar effect with excellent mechanical properties by modulating the electronic structure in LaFe11.6-xCoxSi1.4. The site occupancy of Co atoms was determined using neutron and X-ray diffraction, and ab initio calculations were performed to study the electronic band structure. The results show that the incorporation of Co atoms inhibits spontaneous magnetostriction and enhances the Invar effect in the ferromagnetic region of LaFe10.6Co1.0Si1.4.
Article
Geochemistry & Geophysics
Wen-Pin Hsieh, Enrico Marzotto, Yi-Chi Tsao, Takuo Okuchi, Jung-Fu Lin
Summary: Thermal transport in subducted slabs and mantle is crucial for their thermo-chemical evolution and dynamics. This study investigates the high-pressure thermal conductivities of stishovite and new-hexagonal-aluminous (NAL) phase, and their impacts on slab dynamics. The findings suggest that subducted crustal materials, especially those with local silica-enrichment, have efficient thermal conduction, leading to faster warming of the sinking slab and altering its dynamic stability.
EARTH AND PLANETARY SCIENCE LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Vijayanath Elakkat, Eskedar Tessema, Chia-Her Lin, Xiaoping Wang, Huan-Cheng Chang, You-Ning Zheng, Yu-Cheng Huang, Zhong-Yun Gurumallappa, Zhong-Yun Zhang, Ka Long A. Chan, Hening A. S. Rahayu, Joseph S. Francisco, Norman Lu
Summary: To understand the effect of non-covalent weak interactions on molecules, we investigated different types of weak interactions in fluorinated chiral zinc complexes, including improper H-bonding, tetrel bonds, and halogen bonds. High resolution neutron diffraction studies revealed elongation and shortening of the methylene carbon-hydrogen bond due to tetrel bonds and improper H-bond interactions, respectively. We demonstrated how multiple weak interactions can cumulatively affect the C-H bond and offset its elongation through formation of an improper H-bond. Non-covalent interaction and electrostatic potential analysis investigations confirmed the nature of these interactions using density functional theory (DFT) and related calculations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Geosciences, Multidisciplinary
Haruka Ono, Kosuke Kurosawa, Takafumi Niihara, Takashi Mikouchi, Naotaka Tomioka, Junko Isa, Hiroyuki Kagi, Takuya Matsuzaki, Hiroshi Sakuma, Hidenori Genda, Tatsuhiro Sakaiya, Tadashi Kondo, Masahiro Kayama, Mizuho Koike, Yuji Sano, Masafumi Murayama, Wataru Satake, Takafumi Matsui
Summary: A shock recovery experiment was conducted on a terrestrial basalt at the Chiba Institute of Technology, Japan, which revealed localized melting at lower pressures than previously thought. The results provide a pressure scale for classifying basaltic eucrites, with an estimated 15% of these rocks falling into the shock degree C category.
GEOPHYSICAL RESEARCH LETTERS
(2023)
Article
Astronomy & Astrophysics
Kaitlyn. A. A. McCain, Nozomi Matsuda, Ming-Chang Liu, Kevin. D. D. McKeegan, Akira Yamaguchi, Makoto Kimura, Naotaka Tomioka, Motoo Ito, Naoya Imae, Masayuki Uesugi, Naoki Shirai, Takuji Ohigashi, Richard. C. C. Greenwood, Kentaro Uesugi, Aiko Nakato, Kasumi Yogata, Hayato Yuzawa, Yu Kodama, Kaori Hirahara, Ikuya Sakurai, Ikuo Okada, Yuzuru Karouji, Satoru Nakazawa, Tatsuaki Okada, Takanao Saiki, Satoshi Tanaka, Fuyuto Terui, Makoto Yoshikawa, Akiko Miyazaki, Masahiro Nishimura, Toru Yada, Masanao Abe, Tomohiro Usui, Sei-ichiro Watanabe, Yuichi Tsuda
Summary: Samples from asteroid Ryugu returned by the Hayabusa2 mission provide evidence for aqueous fluid alteration related to CI chondrites. Investigations of the isotopic compositions of carbonate and magnetite in two Ryugu particles reveal that the fluid was initially between 0 and 20 degrees C and evolved towards lighter carbon and oxygen isotopic compositions as alteration proceeded. The ages of carbonate indicate that this fluid-rock interaction occurred within the first 1.8 million years of Solar System history, suggesting early accretion in a planetesimal less than 20 km in diameter or within a disrupted and reassembled larger body.
Article
Geochemistry & Geophysics
Suyu Fu, Yanyao Zhang, Takuo Okuchi, Jung-Fu Lin
Summary: This study investigates the thermoelastic properties of mantle candidate minerals and reveals the single-crystal elastic moduli of (Al,Fe)-bearing bridgmanite. It discusses the effects of pressure and composition on the elastic properties, which are important for understanding the geophysical, geochemical, and geodynamic evolutions of the silicate Earth.
AMERICAN MINERALOGIST
(2023)
Article
Chemistry, Multidisciplinary
Yingdong Guan, Leixin Miao, Jingyang He, Jinliang Ning, Yangyang Chen, Weiwei Xie, Jianwei Sun, Venkatraman Gopalan, Jun Zhu, Xiaoping Wang, Nasim Alem, Qiang Zhang, Zhiqiang Mao
Summary: Researchers have discovered a new non-centrosymmetric van der Waals semiconductor, Cr0.32Ga0.68Te2.33, which exhibits intrinsic ferromagnetism and could potentially be a candidate for bulk ferrovalley materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Astronomy & Astrophysics
Naotaka Tomioka, Akira Yamaguchi, Motoo Ito, Masayuki Uesugi, Naoya Imae, Naoki Shirai, Takuji Ohigashi, Makoto Kimura, Ming-Chang Liu, Richard C. Greenwood, Kentaro Uesugi, Aiko Nakato, Kasumi Yogata, Hayato Yuzawa, Yu Kodama, Kaori Hirahara, Ikuya Sakurai, Ikuo Okada, Yuzuru Karouji, Keishi Okazaki, Kosuke Kurosawa, Takaaki Noguchi, Akira Miyake, Masaaki Miyahara, Yusuke Seto, Toru Matsumoto, Yohei Igami, Satoru Nakazawa, Tatsuaki Okada, Takanao Saiki, Satoshi Tanaka, Fuyuto Terui, Makoto Yoshikawa, Akiko Miyazaki, Masahiro Nishimura, Toru Yada, Masanao Abe, Tomohiro Usui, Sei-ichiro Watanabe, Yuichi Tsuda
Summary: Scientists have observed mild shock metamorphism in surface particles of asteroid Ryugu using electron microscopy, indicating that the average peak pressure was approximately 2 GPa. These findings are inconsistent with current micrometeorite production models and suggest the need for a new formation mechanism.
Article
Astronomy & Astrophysics
Akira Yamaguchi, Naotaka Tomioka, Motoo Ito, Naoki Shirai, Makoto Kimura, Richard C. C. Greenwood, Ming-Chang Liu, Kaitlyn A. A. McCain, Nozomi Matsuda, Masayuki Uesugi, Naoya Imae, Takuji Ohigashi, Kentaro Uesugi, Aiko Nakato, Kasumi Yogata, Hayato Yuzawa, Yu Kodama, Kaori Hirahara, Ikuya Sakurai, Ikuo Okada, Yuzuru Karouji, Satoru Nakazawa, Tatsuaki Okada, Takanao Saiki, Satoshi Tanaka, Fuyuto Terui, Makoto Yoshikawa, Akiko Miyazaki, Masahiro Nishimura, Toru Yada, Masanao Abe, Tomohiro Usui, Sei-ichiro Watanabe, Yuichi Tsuda
Summary: The samples from the Hayabusa2 spacecraft reveal that the C-type asteroid Ryugu underwent multiple mineralogical alterations within a short period after its formation. C-type asteroids are remnants of primitive planetesimals that formed in the outer regions of the early Solar System and may have delivered volatiles to the inner Solar System, including the early Earth. However, the nature of carbonaceous chondrites is not well understood due to terrestrial alteration. This study presents the petrology and mineral chemistry of surface materials collected by the Hayabusa2 spacecraft from the C-type asteroid Ryugu. The results show that Ryugu experienced a complex geological evolution shortly after its formation.
Article
Materials Science, Multidisciplinary
Michael A. McGuire, Heda Zhang, Andrew F. May, Satoshi Okamoto, Robert G. Moore, Xiaoping Wang, Clement Girod, Sean M. Thomas, Filip Ronning, Jiaqiang Yan
Summary: Alloying indium into SnBi2Te4 induces bulk superconductivity with critical temperatures up to 1.85 K and upper critical fields up to about 14 kOe. This is confirmed by electrical and thermal measurements, and the presence of a superconducting gap near 0.25 meV is suggested. The superconductivity is type-II and the existence of topological surface states has been verified. The analogy with MnBi2Te4 motivates further interest in this family of compounds, which have potential for the study of topological superconductivity.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Physics, Applied
Jin Shimada, Atsushi Tani, Takeshi Yamada, Takeshi Sugahara, Takayuki Hirai, Takuo Okuchi
Summary: The dynamics of water molecules in tetra-n-butyl-d36-ammonium bromide semiclathrate hydrate were studied, revealing a fast reorientation motion of water molecules in the temperature range of 212-278 K. The mean jump distance of hydrogen atoms was found to be within 1.5-2.0A degrees, with a relaxation time of 100-410 ps and an activation energy of 10.2 +/- 5.8 kJ/mol. This short relaxation time is possibly due to the strong interaction between a bromide anion and its surrounding water molecules, suggesting a unique strategy for designing efficient, safe, and inexpensive proton conductors using semiclathrate hydrates.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Qinzhen Li, Yesen Tan, Baoyu Huang, Sha Yang, Jinsong Chai, Xiaoping Wang, Yong Pei, Manzhou Zhu
Summary: By introducing hydride ligands to simplify the research system, the evolution process between a pair of gold nanocluster isomers is completely revealed. A reversible structural isomerization mechanism is found, and the role of hydride ligands in the dynamic behavior of nanoclusters is highlighted.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Tzu-Hao Chiu, Jian-Hong Liao, Ying-Yann Wu, Jie-Ying Chen, Yuan Jang Chen, Xiaoping Wang, Samia Kahlal, Jean-Yves Saillard, C. W. Liu
Summary: Three unknown rhodium/silver alloy nanoclusters with eight electrons, [RhAg21{S2P((OPr)-Pr- n )(2)}(12)] (1), [RhHAg20{S2P((OPr)-Pr- n )(2)}(12)] (2), and [RhH2Ag19{S2P((OPr)-Pr- n )(2)}(12)] (3), were discovered and characterized. Cluster 1 has a regular Rh@Ag-12 icosahedral core, while clusters 2 and 3 have distorted RhH@Ag-12 and RhH2@Ag-12 icosahedral cores respectively. The insertion of one hydride dopant eliminates one capping silver atom on the cluster surface, resulting in the general formula [RhH x @Ag21-x {S2P((OPr)-Pr- n )(2)}(12)] (x = 0-2). Clusters 1-3 exhibit intense emissions in the near-infrared region, with involvement of the encapsulated heterometal's 4d orbitals in the optical processes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Jonas Ruby Sandemann, Kristoffer Andreas Holm Stockler, Xiaoping Wang, Bryan C. Chakoumakos, Bo Brummerstedt Iversen
Summary: Accurate structural models are crucial for understanding the structure-property relationships in functional materials. This study focuses on the complex crystal structures of spinels and establishes a benchmark crystal structure for defect-free spinel ferrite ZnFe2O4. Various diffraction techniques are used to provide reference data for testing and refining structural models. The results demonstrate the significance of atomic displacement parameters in accurately describing the cation inversion in spinel-type materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Sean F. McWilliams, Brandon Q. Mercado, K. Cory MacLeod, Majed S. Fataftah, Maxime Tarrago, Xiaoping Wang, Eckhard Bill, Shengfa Ye, Patrick L. Holland
Summary: We conducted studies on a dimeric diiron(ii) hydride complex using various techniques, including X-ray and neutron crystallography, Mossbauer spectroscopy, magnetism, DFT, and ab initio calculations. Our findings provide insights into the dynamics and electronic structure changes induced by hydrides. The hydride positions determine the differing iron geometries, which in turn give rise to a coupled ground state with substantial magnetic anisotropy. The ability of hydrides to rapidly modulate the local electronic structure and spin states at metal sites suggests their potential importance in catalysis.
Article
Astronomy & Astrophysics
Toru Matsumoto, Takaaki Noguchi, Akira Miyake, Yohei Igami, Mitsutaka Haruta, Yusuke Seto, Masaaki Miyahara, Naotaka Tomioka, Hikaru Saito, Satoshi Hata, Dennis Harries, Aki Takigawa, Yusuke Nakauchi, Shogo Tachibana, Tomoki Nakamura, Megumi Matsumoto, Hope A. Ishii, John P. Bradley, Kenta Ohtaki, Elena Dobrica, Hugues Leroux, Corentin Le Guillou, Damien Jacob, Francisco de la Pena, Sylvain Laforet, Maya Marinova, Falko Langenhorst, Pierre Beck, Thi H. V. Phan, Rolando Rebois, Neyda M. Abreu, Jennifer Gray, Thomas Zega, Pierre-M. Zanetta, Michelle S. Thompson, Rhonda Stroud, Kate Burgess, Brittany A. Cymes, John C. Bridges, Leon Hicks, Martin R. Lee, Luke Daly, Phil A. Bland, Michael E. Zolensky, David R. Frank, James Martinez, Akira Tsuchiyama, Masahiro Yasutake, Junya Matsuno, Shota Okumura, Itaru Mitsukawa, Kentaro Uesugi, Masayuki Uesugi, Akihisa Takeuchi, Mingqi Sun, Satomi Enju, Tatsuhiro Michikami, Hisayoshi Yurimoto, Ryuji Okazaki, Hikaru Yabuta, Hiroshi Naraoka, Kanako Sakamoto, Toru Yada, Masahiro Nishimura, Aiko Nakato, Akiko Miyazaki, Kasumi Yogata, Masanao Abe, Tatsuaki Okada, Tomohiro Usui, Makoto Yoshikawa, Takanao Saiki, Satoshi Tanaka, Fuyuto Terui, Satoru Nakazawa, Sei-ichiro Watanabe, Yuichi Tsuda
Summary: This study reports the discovery of iron nitride on the surface of the near-Earth carbonaceous asteroid Ryugu, suggesting the possibility of inorganic nitrogen fixation. It is likely that the iron nitride formed due to impacts of nitrogen-rich micrometeoroids from the outer Solar System, indicating a flux of nitrogen-rich dust in the inner Solar System. The findings imply that there is a greater amount of nitrogen available for planetary formation and prebiotic reactions in the inner Solar System than previously recognized.