Article
Materials Science, Multidisciplinary
Zhufeng He, Yanxin Guo, Lifang Sun, Xianjun Guan, Shuang Jiang, Yongfeng Shen, Wen Yin, Xiaoli Zhao, Zhiming Li, Nan Jia
Summary: This study presents a universal strategy for designing ultrastrong and ductile face-centered cubic (fcc) multicomponent alloys by introducing interstitial-driven local chemical order (LCO) through simple thermomechanical processing. Fine laths containing interstitial-driven LCO domains have been observed in a prototype FeMnCoCrN alloy, resulting in an ultra-high yield strength of 1.34 GPa and a uniform elongation of 13.9%. This design strategy has also been successfully applied to a multicomponent austenitic steel, suggesting its potential in developing high-performance fcc materials at low cost.
Article
Chemistry, Multidisciplinary
Vladimir Vykhodets, Olga Nefedova, Tatiana Kurennykh, Sviatoslav Obukhov, Evgenia Vykhodets
Summary: This study investigates the diffusion of deuterium in potassium. It finds that mass transfer is predominantly controlled by the mechanism of overbarrier atomic jumps at temperatures 120-260 K and by the tunneling mechanism at 90-120 K. Moreover, it determines the conditions under which the quantum diffusion of hydrogen can be observed and predicts metals in which this phenomenon can be experimentally registered.
Article
Materials Science, Multidisciplinary
Quanqing Zeng, Kefu Gan, Fei Chen, Dongyao Wang, Songsheng Zeng
Summary: This study investigates the interstitial concentration effects of carbon atoms on the mechanical properties of FeNiCr medium-entropy alloys using nanoindentation. The results show that interstitial atoms play a role in triggering plasticity and increasing the average maximum shear stress. Moreover, interstitial carbon atoms hinder the movement of dislocations, which suppresses plastic deformation. This study provides important insights into the interstitial effects on the mechanical properties of multicomponent alloys and can assist in the development of new strengthening strategies for structural materials with remarkable performance.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Multidisciplinary Sciences
Alexandra M. Goryaeva, Christophe Domain, Alain Chartier, Alexandre Dezaphie, Thomas D. Swinburne, Kan Ma, Marie Loyer-Prost, Jerome Creuze, Mihai-Cosmin Marinica
Summary: It has been commonly believed that defects in face-centred cubic metals form larger dislocation loops through the coalescence of interstitial dumbbells. However, this study reveals that interstitial atoms in these metals actually cluster into compact 3D inclusions of A15 Frank-Kasper phase before forming dislocation loops. These A15 nano-phase inclusions then act as a source for prismatic or faulted dislocation loops. This discovery provides a better understanding of the complex mechanisms behind interstitial defect formation in metals.
NATURE COMMUNICATIONS
(2023)
Article
Physics, Multidisciplinary
Kristina Komander, Tuan Tran, Jitendra Saha, Marcos Moro, Gunnar K. Palsson, Max Wolff, Daniel Primetzhofer
Summary: This study accurately locates the position and vibrational amplitude of hydrogen in the single crystalline Fe/V superstructures using ion channeling and nuclear reaction analysis.
PHYSICAL REVIEW LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Pui-Wai Ma, S. L. Dudarev
Summary: In this study, the structure and relative stability of self-interstitial atom (SIA) defects in different metals were determined using ab initio density function theory calculations. The most stable SIA defects varied among metals, impacting their diffusion properties.
PHYSICAL REVIEW MATERIALS
(2021)
Article
Chemistry, Physical
Jiabin Yu, Hui Wang, Xiongjun Liu, Suihe Jiang, Xiaobin Zhang, Guoliang Xie, Dong He, Lei Shao, Pan Zhang, Yingjie Zhang, Jinfeng Huang, Yuan Wu, Zhaoping Lu
Summary: This study investigated the combustion behaviors of NiCo-based medium-entropy alloys (MEAs) with face-centred-cubic (FCC) structures in high-pressure oxygen atmospheres using a specially designed experimental apparatus. The flame-retardant performances of these alloys were comparable to those of traditional superalloys, and the flame-retardant mechanism was explored through thermodynamic and kinetic analysis. The study also examined the effects of key elements, such as Cr, Ni, Co, and Mn, on the combustion behaviors. The findings enhance our understanding of the flame-retardant mechanism of FCC structured medium-entropy alloys and provide guidelines for designing alloys with satisfactory flame-retardant performances.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Jinyu Wang, Tianchun Lang, Shuangqiang Fang, Tao Han, Mingsheng Cai, Mingguang Wang, Shixiu Cao, Lingling Peng, Bitao Liu, Elena F. Polisadova, Aleksey N. Yakovlev
Summary: A synthetic route to obtain environmentally friendly water-soluble KHF2:Mn4+ luminous material by engineering the interstitial Mn4+ site is reported, showing excellent luminescent properties and quantum efficiency. This material can be dissolved in pure water as a green ion-exchange luminous material to prepare Mn4+-activated fluoride phosphors.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Materials Science, Multidisciplinary
Hongxian Xie, Tong Ma, Tao Yu, Fuxing Yin
Summary: The phase transformation of iron nanoplate and bulk under compressive loading along [100] direction was studied using molecular dynamic simulation. Results showed that the iron nanoplate transformed from body-centered-cubic to face-centered-cubic phase, while the iron bulk transformed from body-centered-cubic to hexagonal close-packed phase. The different phase transformation modes were attributed to the free surface-induced stress effect on the nanoplate, and additional lateral stress could induce a face-centered-cubic phase transformation in the iron bulk. The theoretical and simulation results for body-centered-cubic to face-centered-cubic phase transformation were found to be consistent, suggesting that this transformation can occur under both tensile and compressive loading along [100] direction.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Hongxian Xie, Gaobing Wei, Yuanfang Lu, Junping Du, Fuxing Yin, Guang-Hong Lu, Shigenobu Ogata
Summary: This study reveals the driving force mechanism of zero-macroscopic-strain deformation twinning through molecular dynamics simulations, and identifies the elastic anisotropy ratio as one of the key factors affecting twinnability.
PHILOSOPHICAL MAGAZINE
(2021)
Article
Materials Science, Multidisciplinary
H. Wang, Q. Chao, X. Y. Cui, Z. B. Chen, A. J. Breen, M. Cabral, N. Haghdadi, Q. W. Huang, R. M. Niu, H. S. Chen, B. Lim, S. Primig, M. Brandt, W. Xu, S. P. Ringer, X. Z. Liao
Summary: An oxygen-rich FCC Ti phase was successfully engineered in a Ti-6Al-4V alloy via additive manufacturing. The presence of this FCC phase significantly increased the local yield strength without sacrificing ductility. Additive manufacturing holds great potential for microstructural design of titanium alloys.
Article
Physics, Condensed Matter
G. D. Adebanjo, P. E. Kornilovitch, J. P. Hague
Summary: This study demonstrates that paired fermions in face-centred-cubic (FCC) lattices, within extended Hubbard models with strong Coulomb repulsion, have different properties compared to pairs in other three-dimensional cubic lattices. The results show that strongly bound, light, and small pairs can be generated in FCC lattices across a wide parameter space.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Physics, Fluids & Plasmas
Rok Zaplotnik, Vincenc Nemanic, Marko Zumer, Janez Kovac, Miran Mozetic
Summary: The research revealed that only a small amount of deuterium was present in liquid tin, but a higher concentration of deuterium was absorbed in the native layer of tin oxide.
Article
Physics, Applied
Binbin Wu, Feng Zhang, Qiwei Hu, Qiqi Tang, Shan Liu, Xiaojun Xiang, Yuanhua Xia, Leiming Fang, Hiroaki Ohfuji, Tetsuo Irifune, Li Lei
Summary: The study investigates the effects of nitrogen atom incorporation into cobalt lattice on structure, elastic, and magnetic properties, revealing that a certain concentration of N atoms can stabilize the fcc Co lattice and induce ferromagnetic behavior. High-pressure x-ray diffraction shows little effect on elastic properties up to 27.2GPa, with CoNx samples exhibiting saturation magnetization up to 153.55emu/g and coercivity of 16.25Oe. Therefore, the introduction of a small amount of nitrogen can significantly reduce the coercive force parameter in the cobalt matrix.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Plant Sciences
Emmanuel Margolin, Joel D. Allen, Matthew Verbeek, Michiel van Diepen, Phindile Ximba, Rosamund Chapman, Ann Meyers, Anna-Lise Williamson, Max Crispin, Edward Rybicki
Summary: Establishing large-scale biopharmaceutical manufacturing in Africa is crucial due to limited production infrastructure. Molecular farming, which uses plants to produce pharmaceuticals, offers a cost-effective alternative but faces challenges in complex protein production. Understanding plant-specific glycosylation differences is important for producing viral glycoproteins with human-like structures.
FRONTIERS IN PLANT SCIENCE
(2021)
Article
Chemistry, Physical
Rama Srinivas Varanasi, Motomichi Koyama, Hiroyuki Saitoh, Reina Utsumi, Toyoto Sato, Shin-ichi Orimo, Eiji Akiyama
Summary: The phase transformations and microstructure changes during the depressurization of non-hydrogenated and hydrogenated Fe-Mn-Si-Cr alloy were investigated. Understanding the effects of hydrogenation on the stability of the austenite phase in Fe-based alloys is crucial.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Biochemistry & Molecular Biology
Toyoto Sato, Hiroyuki Saitoh, Reina Utsumi, Junya Ito, Yuki Nakahira, Kazuki Obana, Shigeyuki Takagi, Shin-ichi Orimo
Summary: In this study, the hydrogen absorption reaction of LaNi5 under high pressures above 1 GPa was investigated, and it was found that LaNi5 absorbed 2.07% hydrogen at 6 GPa, indicating a higher hydrogen storage capacity compared to reactions below 1.0 MPa. Additionally, the hydrogen-absorbed LaNi5Hx decomposed into NiH under high-pressure conditions, and a new hydride phase with different crystal parameters was observed.
Article
Geochemistry & Geophysics
Chikara Shito, Hiroyuki Kagi, Sho Kakizawa, Katsutoshi Aoki, Kazuki Komatsu, Riko Iizuka-Oku, Jun Abe, Hirioyuki Saitoh, Asami Sano-Furukawa, Takanori Hattori
Summary: Through in situ X-ray diffraction and neutron diffraction measurements, the phase relation and crystal structure of Fe0.9Ni0.1Hx(D-x) under high pressure and temperature were investigated. It was found that tetragonal sites of face-centered cubic Fe0.9Ni0.1Dx were not occupied by deuterium atoms under the present study conditions, although such occupation was previously reported for face-centered cubic FeHx(D-x). The deuterium-induced volume expansion per deuterium in Fe0.9Ni0.1Dx was larger than that in FeDx, and slightly increased with increasing temperature. This study suggests that a small amount of nickel in iron significantly affects the behavior of hydrogen in metal. Assuming constant v(D) regardless of pressure, the maximum hydrogen content in the Earth's inner core is estimated to be one to two times the amount of hydrogen in the oceans.
AMERICAN MINERALOGIST
(2023)
Article
Chemistry, Physical
Ryuhei Sato, Kazuto Akagi, Shigeyuki Takagi, Kartik Sau, Kazuaki Kisu, Hao Li, Shin-ichi Orimo
Summary: Topological data analysis based on persistent homology is applied to the molecular dynamics simulation of the AgI a-phase to analyze the ion migration mechanism effectively. The persistence diagrams of a-AgI record the shape and size of the ring structures in the atomic configurations, clearly showing the emergence of four-membered rings formed by two Ag and two I ions at high temperatures, which are common structures during the Ag ion migration. The potential energy change due to the deformation of the four-membered ring agrees well with the activation energy calculated from the conductivity Arrhenius plot, and the concerted motion of two Ag ions via the four-membered ring is successfully extracted from molecular dynamics simulations, providing new insight into the specific mechanism of the concerted motion.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Kazutaka Ikeda, Takuya Kimura, Koji Ohara, Toyoto Sato, Hidetoshi Ohshita, Atsushi Sakuda, Akitoshi Hayashi
Summary: Sodium solid electrolytes are considered preferable to lithium solid electrolytes for all-solid-state lithium-ion batteries. The heat treatment of Na3PS4 glass ceramics can greatly enhance the ionic conductivity, with vacancies in the ceramic material playing a crucial role in promoting Na ion conduction. The control of vacancies in solid electrolytes is essential for the design of practical all-solid-state sodium batteries.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Katsuaki Sugawara, Haruki Kusaka, Tappei Kawakami, Koki Yanagizawa, Asuka Honma, Seigo Souma, Kosuke Nakayama, Masashi Miyakawa, Takashi Taniguchi, Miho Kitamura, Koji Horiba, Hiroshi Kumigashira, Takashi Takahashi, Shin-ichi Orimo, Masayuki Toyoda, Susumu Saito, Takahiro Kondo, Takafumi Sato
Summary: Boron-based two-dimensional materials, especially rhombohedral boron monosulfide (r-BS), with its unique layered crystal structure, are being extensively studied for their potential applications in nanoelectronics. However, the analysis of the fundamental electronic properties of r-BS has been limited due to the lack of available large crystals. In this study, we utilize microfocused angle-resolved photoemission spectroscopy (micro-ARPES) to directly map the band structure of a tiny r-BS powder crystal, revealing that r-BS is a p-type semiconductor with an anisotropic in-plane effective mass and a band gap larger than 0.5 eV. These findings demonstrate the high applicability of micro-ARPES for investigating small powder crystals and provide new insights into the unexplored electronic states of novel materials.
Article
Chemistry, Multidisciplinary
Kazuaki Kisu, Rana Mohtadi, Shin-i. Orimo
Summary: Rechargeable Ca metal batteries have advantageous features for potential alternatives to Li-ion batteries, such as high energy density, cost-effectiveness, and natural elemental abundance. However, challenges in passivating Ca metal by electrolytes and a lack of efficient cathode materials with Ca2+ storage capabilities hinder the development of practical Ca metal batteries. In this study, the feasibility of using a CuS cathode and a tailored electrolyte for Ca metal batteries is confirmed, leading to a Ca metal battery with long cycle life and high capacity retention. This study can expedite the development of Ca metal batteries.
Article
Chemistry, Physical
Egon Campos dos Santos, Ryuhei Sato, Kazuaki Kisu, Kartik Sau, Xue Jia, Fangling Yang, Shin-ichi Orimo, Hao Li
Summary: The need for next-generation batteries is urgent. Divalent closo-type complex hydride (CTCH) electrolytes have been shown to offer valuable alternatives to lithium-ion technology. However, the complex structure of neutral molecules containing CTCHs poses challenges for understanding ionic diffusion mechanisms and designing high-performance batteries. This study combines a genetic algorithm and ab initio simulations to analyze cation diffusions in various CTCHs, leading to the development of structure-performance relationships and paving the way for precise modeling of complex materials.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
V. Charbonnier, R. Utsumi, Y. Nakahira, H. Enoki, K. Asano, H. Kim, T. Sato, S. Orimo, H. Saitoh, K. Sakaki
Summary: For high pressure MH compressor applications, it is important to understand the hydrogenation properties of MH forming compounds under high pressure and temperature conditions, which are still little studied. This study investigated a Ti0.90V0.30Mn1.00Ni0.80 compound with an AB2 structure using Sieverts' method, providing experimental evidence of the non-ideal behavior of hydrogen in the high-pressure region. The study also demonstrated the estimation of high-sorption pressures using low-pressure data and monitored the structural evolution of the compound under ultra-high hydrogen pressure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Akira Kudo, Kazuya Kanamaru, Jiuhui Han, Rui Tang, Kazuaki Kisu, Takeharu Yoshii, Shin-ichi Orimo, Hirotomo Nishihara, Mingwei Chen
Summary: This study reports the fabrication of hierarchically porous carbon microlattices (HPCMLs) using composite photoresin and stereolithography (SLA) 3D printing. The carbon microlattices have a hierarchical pore structure, including lattice architecture, macropores, mesopores, and micropores. The HPCMLs exhibit excellent mechanical properties and can be used as thick supercapacitor electrodes with high gravimetric and areal capacitances.
Article
Chemistry, Multidisciplinary
Keishiro Yamashita, Kazuya Nakayama, Kazuki Komatsu, Takashi Ohhara, Koji Munakata, Takanori Hattori, Asami Sano-Furukawa, Hiroyuki Kagi
Summary: In this study, the structure of a recently found hyperhydrated form of sodium chloride was determined, revealing a large hydrogen-bond network with distorted bonding features. The hydrogen-bond network of this hydrate resembles ice VI and exhibits orientational disorder of water molecules.
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Kartik Sau, Shigeyuki Takagi, Tamio Ikeshoji, Kazuaki Kisu, Ryuhei Sato, Shin-ichi Orimo
Summary: Using molecular dynamics (MD) simulations, we investigated the effect of cation size on the ordered-disordered phase-transition temperature (T-tran) and cationic diffusion in the complex hydride LiCB11H12. The results showed that introducing a large-size cation with high cell volume can lower T-tran by facilitating anionic rotation. The study also provided insights into cationic density distribution, bottlenecks in the cationic path, and the hopping mechanism with increasing cationic sizes.
MATERIALS ADVANCES
(2023)
