Article
Geochemistry & Geophysics
Alok Chaudhari, Nathan A. S. Webster, Fang Xia, Andrew Frierdich, Rahul Ram, Barbara Etschmann, Weihua Liu, Jeremy Wykes, Helen E. A. Brand, Joel Brugger
Summary: The fluid-driven transformation of chalcopyrite into Cu-rich sulfides is a complex mineral replacement reaction controlled by evolving mineral make-up, texture/porosity, and solution chemistry. In-situ and ex-situ experiments showed rapid reduction of Cu2+ to Cu+ during chalcopyrite replacement, with covellite forming first followed by digenite-high. The activation energies for the two kinetic stages were calculated, highlighting the intricate feedback between aqueous redox, mineral nucleation, and ion transport properties during replacement reactions.
Article
Multidisciplinary Sciences
Robert Free, Karen DeRocher, Victoria Cooley, Ruqing Xu, Stuart R. Stock, Derk Joester
Summary: The structure and composition of dental enamel are crucial for understanding tooth decay, enamel development, and dental treatment. This study used synchrotron X-ray diffraction and machine learning to investigate the differences in crystallographic parameters between different microarchitectural domains of enamel. It was found that the composition of crystallites varies, and a model was used to predict the concentration of minority ions. These results provide new insights into the complexity of enamel and have implications for modeling its mechanical and chemical performance.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Inorganic & Nuclear
Ziyan Lv, Rukang Li
Summary: In this study, a tantalum phosphate crystal Na11Ta8P7O43 with a moderate second harmonic response was synthesized using self-fluxes method. The crystal was found to have unique structural features and moderate nonlinear effects. It exhibits phase-matchable second harmonic generation, a shorter cutoff edge than known materials LiTaO3 and KTiOPO4, and high transmittance in the visible to near infrared band, suggesting its potential as a nonlinear optical crystal.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Ziyan Lv, Rukang Li
Summary: In this study, a tantalum phosphate crystal with a moderate second harmonic response and unique structural features was successfully synthesized. It has the potential to serve as a nonlinear optical crystal.
DALTON TRANSACTIONS
(2023)
Article
Geology
O. Vallcorba, M. Canillas, J. Audije-Gil, F. Barroso-Barcenilla, A. Gonzalez-Martin, J. Molera, M. A. Rodriguez, O. Cambra-Moo
Summary: Synchrotron radiation X-ray microdiffraction has been applied for the first time to analyze the growth and development of crocodilian teeth. Significant differences in hydroxyapatite crystallite sizes and texture were found between a fossil crocodylomorph and a modern crocodylian, suggesting different postdepositional processes and functional pressures during their lives. The crystalline texture in the tooth enamel seems to be influenced by teeth functionality and mechanical stress during crocodilian life.
CRETACEOUS RESEARCH
(2021)
Article
Multidisciplinary Sciences
Daisuke Sawada, Yoshiharu Nishiyama, Riddhi Shah, V. Trevor Forsyth, Estelle Mossou, Hugh Michael O'Neill, Masahisa Wada, Paul Langan
Summary: The study reveals that during mercerization of bacterial cellulose, chains fold back on themselves in a zigzag pattern to form crystalline anti-parallel domains. This finding provides important insights into the molecular-level mechanism of this industrial process.
NATURE COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
Akinobu Niozu, Yoshiaki Kumagai, Toshiyuki Nishiyama Hiraki, Hironobu Fukuzawa, Koji Motomura, Maximilian Bucher, Kazuki Asa, Yuhiro Sato, Yuta Ito, Daehyun You, Taishi Ono, Yiwen Li, Edwin Kukk, Catalin Miron, Liviu Neagu, Carlo Callegari, Michele Di Fraia, Giorgio Rossi, Davide Emilio Galli, Tommaso Pincelli, Alessandro Colombo, Shigeki Owada, Kensuke Tono, Takashi Kameshima, Yasumasa Joti, Tetsuo Katayama, Tadashi Togashi, Makina Yabashi, Kazuhiro Matsuda, Christoph Bostedt, Kiyoshi Ueda, Kiyonobu Nagaya
Summary: This study explores the formation process of solid Xe nanoparticles in an expanding supercooled Xe jet under vacuum conditions using X-ray diffraction experiments. It is found that the structure of Xe nanoparticles is a mixture of face-centered cubic and randomly stacked hexagonal close-packed structures, rather than pure face-centered cubic. Instantaneous coexistence of comparably sized face-centered cubic and hexagonal close-packed domains in single Xe nanoparticles is observed.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Physical
Xinbo Ni, Fangcheng Zheng, Xinying Teng, Kesong Miao, Rengeng Li, Chenglu Liu, Xuewen Li, Chang Zhou, Hao Wu, Guohua Fan
Summary: Layer thickness is a crucial parameter for determining the mechanical properties of multi-layered composites. Recent observations have shown that increasing the thickness of Ti layers in Ti/Al layered materials leads to synchronous improvement in strength and ductility. A combination of synchrotron X-ray microdiffraction and electron backscatter diffraction techniques was used to study the behavior of dislocations at different deformation stages. A mechanistic model was developed to explain the influence of layer thickness and determine the threshold thickness that governs the transition of deformation and fracture behaviors. The findings from our experimental and modeling efforts highlight the role of layer thickness in dislocation dynamics and strain distribution, providing insights for designing next-generation high-performance layered composites.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Naoya Ishida, Taketoshi Tajima, Naoto Kitamura, Yasushi Idemoto
Summary: Single-phase LiFeSi2O6 with pyroxene structure was successfully synthesized under specific conditions via a hydrothermal route. Crystal structure refinement was achieved using synchrotron X-ray and neutron diffraction techniques, revealing the difference in Si-O bond before and after charging. The carbon composite with LiFeSi2O6 showed improved electrochemical properties as a cathode for Li-ion batteries, with XANES spectra indicating the redox of iron was not involved in charge and discharge processes. Pair distribution function (PDF) analysis suggested Li-ion diffusion as a one-dimensional path.
Article
Chemistry, Multidisciplinary
Wei Li, Yu Ogawa, Javier Perez, Karim Mazeau, Isabelle Morfin, Yoshiharu Nishiyama
Summary: This study used X-ray diffraction to investigate the swelling behavior of cellulose in sulfuric acid at low temperatures and discovered a crystalline complex of cellulose and sulfuric acid. The sulfuric acid molecules arrange themselves similarly to those in its tetrahydrate crystal, while cellulose molecules adopt a rare fivefold helical conformation. The formation of this complex depends on the acid concentration and occurs only above 62 wt%.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Materials Science, Multidisciplinary
Lei Pan, Indra Raj Pandey, Antonino Miceli, Vladislav V. Klepov, Duck Young Chung, Mercouri G. Kanatzidis
Summary: A perovskite CsPbBr3 single-crystal detector capable of operating at high X-ray fluxes is reported. The detector shows good performance in terms of gamma-ray energy resolution, dark current, photocurrent linearity, and reproducibility at different X-ray energy levels. It is anticipated that CsPbBr3 detectors will have wide application in high-flux X-ray detection.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Ravi Raj Purohit Purushottam Raj Purohit, Samuel Tardif, Olivier Castelnau, Joel Eymery, Rene Guinebretiere, Odile Robach, Taylan Ors, Jean-Sebastien Micha
Summary: A feed-forward neural network model is presented to index diffraction spots recorded during synchrotron X-ray Laue microdiffraction experiments in real time. The model applies data dimensionality reduction to extract physical features from 2D X-ray diffraction Laue images, enabling on-the-fly training for any crystal system. The capabilities of the model are demonstrated with three examples, showcasing its ability to efficiently index Laue spots in simple and complex recorded images.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Materials Science, Multidisciplinary
Hans-Henrik Konig, Niklas Hollander Pettersson, A. Durga, Steven Van Petegem, Daniel Grolimund, Andrew Chihpin Chuang, Qilin Guo, Lianyi Chen, Christos Oikonomou, Fan Zhang, Greta Lindwall
Summary: This study investigates the impact of solidification velocities and thermal gradients on the solidification mode of a hot-work tool steel during additive manufacturing (AM) using high-speed X-ray diffraction measurements. The results show that primary delta-ferrite forms at a cooling rate of 2.12 x 104 K/s, while it is suppressed at a higher cooling rate of 1.5 x 106 K/s and primary austenite is observed. A Kurz-Giovanola-Trivedi (KGT) based solidification model is used to validate the experimental findings. This work emphasizes the importance of in situ XRD measurements for understanding microstructure evolution and validating computational models in AM processes.
Article
Geosciences, Multidisciplinary
Fei Qin, Dongzhou Zhang, Shan Qin
Summary: The study reveals the structural sequence of Cu2O under high pressure as cubic-tetragonal-monoclinic, with a novel monoclinic high-pressure phase observed for the first time. The monoclinic phase of Cu2O exhibits anisotropic compression, and its elastic properties differ significantly from the cubic phase.
FRONTIERS IN EARTH SCIENCE
(2021)
Article
Polymer Science
Wei Li, Dai Zhang, Chunjing Qv, Ruijun Zhao, Zhe Ma
Summary: The stretching-induced crystallite evolution of polymorphic polybutene-1 (PB) was studied using in-situ wide-angle X-ray diffraction and ex-situ differential scanning calorimetry. It was found that stretching at elevated temperatures led to the generation of a metastable tetragonal phase from the initial trigonal phase due to crystallite melting and subsequent recrystallization. Additionally, the stretching-induced amorphous fractions had the possibility of recrystallization into the trigonal form I' when cooled, depending on the stretching temperature. These results demonstrate the polymorphism selection during stretching-induced recrystallization.
Article
Materials Science, Ceramics
Linda M. Seymour, Nobumichi Tamura, Marie D. Jackson, Admir Masic
Summary: Integrated spectroscopic and microdiffraction analyses shed light on the long-term reactivity of volcanic aggregate components and C-A-S-H binder in ancient Roman concrete, showing how the selection of specific volcanic materials and environmental conditions led to beneficial hydrologic activity and durability in the concrete of the Tomb of Caecilia Metella.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Chemistry, Physical
Kaustubh Khedekar, Morteza Rezaei Talarposhti, Muenir M. Besli, Saravanan Kuppan, Andrea Perego, Yechuan Chen, Michael Metzger, Sarah Stewart, Plamen Atanassov, Nobumichi Tamura, Nathan Craig, Lei Cheng, Christina M. Johnston, Iryna V. Zenyuk
Summary: The study investigates the heterogeneity of polymer electrolyte fuel cell catalyst degradation under varied conditions, with water content promoting Pt particle size growth.
ADVANCED ENERGY MATERIALS
(2021)
Article
Physics, Applied
Chenbo Zhang, Zhuohui Zeng, Zeyuan Zhu, Nobumichi Tamura, Xian Chen
Summary: This study reports a reversible phase-transforming ferroelectric material with excellent energy harvesting performance, capable of efficiently utilizing small temperature differences for sustained power output. By satisfying crystallographic compatibility conditions, the material exhibits minimal thermal hysteresis and high figure of merit, reliably generating electrical current in consecutive thermodynamic cycles.
PHYSICAL REVIEW APPLIED
(2021)
Article
Chemistry, Physical
Zengqing Zhuo, Kehua Dai, Jinpeng Wu, Liang Zhang, Nobumichi Tamura, Yi-de Chuang, Jun Feng, Jinghua Guo, Zhi-xun Shen, Gao Liu, Feng Pan, Wanli Yang
Summary: This study re-evaluated the redox reactions in Li2RuO3 and found both Ru and O redox to be highly reversible, contrasting with other Li2MO3 systems. The critical role of transition metals and their coupling to oxygen in maintaining reversible oxygen redox activities for high-energy batteries was highlighted through this research.
ACS ENERGY LETTERS
(2021)
Article
Physics, Applied
Jiejuan Yan, Lingkong Zhang, Junxiu Liu, Nana Li, Nobumichi Tamura, Bin Chen, Yu Lin, Wendy L. Mao, Hengzhong Zhang
Summary: The study reveals that pressure can suppress the structural distortions caused by the Jahn-Teller effect of CuO6 octahedra in Cu-II-containing high-entropy oxides (HEOs) and significantly modify their electronic properties. As pressure increases, the structural distortions are gradually suppressed and the electronic structure undergoes significant changes.
APPLIED PHYSICS LETTERS
(2021)
Article
Multidisciplinary Sciences
Jie Yuan, Qihong Chen, Kun Jiang, Zhongpei Feng, Zefeng Lin, Heshan Yu, Ge He, Jinsong Zhang, Xingyu Jiang, Xu Zhang, Yujun Shi, Yanmin Zhang, Mingyang Qin, Zhi Gang Cheng, Nobumichi Tamura, Yi-feng Yang, Tao Xiang, Jiangping Hu, Ichiro Takeuchi, Kui Jin, Zhongxian Zhao
Summary: The research uncovers the precise quantitative scaling laws among the superconducting transition temperature, the linear-in-T scattering coefficient, and the doping level in electron-doped copper oxide La2-xCexCuO4, suggesting a common mechanism of the strange-metal behavior and unconventional superconductivity in these systems.
Article
Multidisciplinary Sciences
Shambhavi Pratap, Finn Babbe, Nicola S. Barchi, Zhenghao Yuan, Tina Luong, Zach Haber, Tze-Bin Song, Jonathan L. Slack, Camelia Stan, Nobumichi Tamura, Carolin M. Sutter-Fella, Peter Mueller-Buschbaum
Summary: The authors explain the stochastic transformation processes during the spin coating of perovskite colloidal precursors. They report the structure and properties of transient and stable phases formed during the process, revealing mechanistic insights through in situ data.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Hao Shen, Kai Chen, Jiawei Kou, Zhanhui Jia, Nobumichi Tamura, Weibo Hua, Wei Tang, Helmut Ehrenberg, Marca Doeff
Summary: Solid-state electrolytes (SSEs) are essential for successful and reliable all-solid-state lithium batteries, with potential improvements in safety and energy density compared to current lithium-ion batteries. However, implementing SSEs faces several challenges, including interfacial instability caused by the interaction of dendritic lithium during cycling. This study emphasizes the importance of studying the spatial distribution and temporal evolution of strains and defects in crystalline SSEs at the micro-scale, and how they affect dendrite growth.
Article
Chemistry, Multidisciplinary
Kaustubh Khedekar, Pongsarun Satjaritanun, Sarah Stewart, Jonathan Braaten, Plamen Atanassov, Nobumichi Tamura, Lei Cheng, Christina M. Johnston, Iryna Zenyuk
Summary: This study investigates the effect of gas diffusion layers (GDLs) on electrocatalyst degradation in polymer electrolyte fuel cells (PEFCs). The results show that GDLs do not significantly affect electrocatalyst degradation, although MEAs with cracked microporous layers (MPLs) exhibit higher electrocatalyst loading loss and a lower and more heterogeneous increase in average electrocatalyst nanoparticle size.
Article
Materials Science, Multidisciplinary
Sicong Lin, Kai Chen, Weifeng He, Nobumichi Tamura, En Ma
Summary: Single-crystal Ni-based superalloys are the preferred materials for turbine blade applications, and additive manufacturing (AM) has facilitated their manufacture/repair. However, the traditional super-solvus solutionizing annealing causes recrystallization and stray grain growth, degrading the high-temperature mechanical performance. We propose a custom-designed post-printing heat treatment that achieves chemical homogenization while limiting grain coarsening. This strategy effectively resolves the challenges in additive manufacturing of single-crystal superalloys.
MATERIALS & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Michelle Devoe, Nobumichi Tamura, Hans-Rudolf Wenk
Summary: Synchrotron X-ray Laue microdiffraction was used to measure residual strain for the first time in rolled titanium, which has a known stress history. The principal strain axes were calculated and showed alignment with the normal and rolling directions of the titanium sheet. Pole figures were used to represent the 3D distribution of residual strain axes.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Chemistry, Physical
Kaustubh Khedekar, Andrea Zaffora, Monica Santamaria, Matthew Coats, Svitlana Pylypenko, Jonathan Braaten, Plamen Atanassov, Nobumichi Tamura, Lei Cheng, Christina Johnston, Iryna V. Zenyuk
Summary: Fuel cell heavy-duty vehicles (HDVs) require more durable oxygen-reduction-reaction electrocatalysts, and understanding the realistic degradation mechanisms is crucial. The study investigated the movement and degradation of electrocatalysts in membrane electrode assemblies using micro-X-ray fluorescence spectroscopy. It was found that the electrocatalyst exhibited heavy in-plane movement and preferential movement away from cracks in the cathode catalyst layer. By performing further experiments, the correlation between the increase in nanoparticle size of the electrocatalyst and loading change was discovered. This research provides insights for developing mitigation strategies and durable electrocatalysts in structured cathode catalyst layers.
Article
Chemistry, Physical
Maged Abdelsamie, Kevin Cruse, Nobumichi Tamura, Gerbrand Ceder, Carolin M. Sutter-Fella
Summary: Lead-free halide double perovskites, specifically Cs2AgBiBr6, have shown promising optoelectronic properties and stability. In this study, different processing strategies, such as antisolvent- and additive-assisted synthesis, were applied to investigate the microstructure and thin-film formation dynamics of Cs2AgBiBr6. Dropping antisolvents during spin coating promoted immediate supersaturation and crystallization of the wet film, while the timing of antisolvent addition affected film formation dynamics and final microstructure. Additive (HBr)-assisted synthesis influenced colloid formation in solution and influenced the crystallization pathway during thin-film processing. HBr additive simplified the synthesis process and enabled the formation of pinhole-free films, even with increased thickness.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Materials Science, Multidisciplinary
Xiaosong Liu, Amy Fleischer, Gang Feng
Summary: Organic phase change materials (PCMs) have great potential for thermal energy storage, but their practicality is limited by liquid leakage tendency, which can be mitigated through encapsulation with a polymer shell. This study focuses on nanoencapsulation, creating a high latent heat and excellently thermally reliable nanoencapsulated PCM system. Additionally, changing surfactants allows for tuning the PCM capsule size and shell thickness.
ACS APPLIED POLYMER MATERIALS
(2021)
Article
Physics, Multidisciplinary
T. J. Boyle, M. Walker, A. Ruiz, E. Schierle, Z. Zhao, F. Boschini, R. Sutarto, T. D. Boyko, W. Moore, N. Tamura, F. He, E. Weschke, A. Gozar, W. Peng, A. C. Komarek, A. Damascelli, C. Schuessler-Langeheine, A. Frano, E. H. da Silva Neto, S. Blanco-Canosa
Summary: The La-based 214 cuprates exhibit significant responses to uniaxial stress, such as lowering the onset temperature of charge stripes, competition between charge order and superconductivity, and a preference for stripes to align along the direction of applied stress.
PHYSICAL REVIEW RESEARCH
(2021)