-
EFTGAN: Elemental features and transferring corrected data augmentation for the study of high-entropy alloys
Peer-reviewed
Yibo Sun, Cong Hou, Nguyen-Dung Tran, Yuhang Lu, Zimo Li, Ying Chen, Jun Ni
npj Computational Materials 11 (1) 2025/03/01
Publisher:
Springer Science and Business Media LLC
DOI：
10.1038/s41524-025-01548-y
eISSN：
2057-3960
-
Mitigating ZrCr2 formation at the Cr/Zr interface through trace doping of Zn, Mg and Sn into Cr coatings: A combined first-principles computational and experimental investigation
Peer-reviewed
Bo Li, Theresa Davey, Huilong Yang, John Andrew Kane Jovellana, Sho Kano, Ying Chen, Hiroaki Abe
Journal of Nuclear Materials 603 155375-155375 2025/01
Publisher:
Elsevier BV
DOI：
10.1016/j.jnucmat.2024.155375
ISSN：
0022-3115
-
Simultaneous Superconducting and Topological Properties in Mg–Li Electrides at High Pressures
Peer-reviewed
Dan Wang, Hongxing Song, Qidong Hao, Guangfa Yang, Hao Wang, Leilei Zhang, Ying Chen, Xiangrong Chen, Huayun Geng
The Journal of Physical Chemistry C 129 (1) 689-698 2024/12/18
Publisher:
American Chemical Society (ACS)
DOI：
10.1021/acs.jpcc.4c06309
ISSN：
1932-7447
eISSN：
1932-7455
-
Unique magnetic transition process demonstrating the effectiveness of bond percolation theory in a quantum magnet
Peer-reviewed
Xu-Guang Zheng, Ichihiro Yamauchi, Masato Hagihala, Eiji Nishibori, Tatsuya Kawae, Isao Watanabe, Tomoki Uchiyama, Ying Chen, Chao-Nan Xu
Nature Communications 15 (1) 2024/11/25
Publisher:
Springer Science and Business Media LLC
DOI：
10.1038/s41467-024-54335-6
eISSN：
2041-1723
-
p‐Orbital Ferromagnetism Arising from Unconventional O− Ionic State in a New Semiconductor Sr2AlO4 with Insufficiently Bonded Oxygen
Peer-reviewed
Xu‐Guang Zheng, Chao‐Nan Xu, Tomoki Uchiyama, Ichihiro Yamauchi, Tomasz Galica, Eiji Nishibori, Ying Chen
Advanced Science 2024 2410977 2024/11/07
Publisher:
Wiley
DOI：
10.1002/advs.202410977
ISSN：
2198-3844
eISSN：
2198-3844
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Anharmonicity in negative thermal expansion materials ZrW2O8 and ZrV2O7: Three-phonon interactions
Peer-reviewed
Lei Wang, Ya-Ning Sun, Zhi-Hao Yao, Ying Chen, Cong Wang
Physics Letters A 517 129667-129667 2024/08
Publisher:
Elsevier BV
DOI：
10.1016/j.physleta.2024.129667
ISSN：
0375-9601
-
Screw dislocation core interaction with C or Nb in 𝛾-TiAl: A multiscale study
Peer-reviewed
Jinkai Wang, Tianlun Tan, Junchao Li, Ying Chen, Hao Wang
Acta Materialia 266 119647-11pp 2024/03
DOI：
10.1016/j.actamat.2023.119647
-
Atomic sizes of Cu and Au in Cu-Au solid solution and the lattice relaxation effects on disorder-Cu3Au phase equilibria
Peer-reviewed
Tetsuo Mohri, Ying Chen, Hoshiaki Horiuchi
Computational Materials Science 235 112772-6pp 2024/02
DOI：
10.1016/j.commatsci.2023.112772
-
Universal Metallic Surface States in Electrides
Peer-reviewed
Dan Wang, Hongxing Song, Leilei Zhang, Hao Wang, Yi Sun, Fengchao Wu, Ying Chen, Xiangrong Chen, Huayun Geng
The Journal of Physical Chemistry C 128 (4) 1845-1854 2024/01/23
Publisher:
American Chemical Society (ACS)
DOI：
10.1021/acs.jpcc.3c07496
ISSN：
1932-7447
eISSN：
1932-7455
-
Study on the Anharmonic Interaction in Negative Thermal Expansion Compounds Ag2O and Cu2O by Three-Phonon Scattering
Peer-reviewed
Lei Wang, Ya-Ning Sun, Ying Chen, Cong Wang
J. Phys. Chem. C 128 1534-1545 2024/01
DOI：
10.1021/acs.jpcc.3c07694
-
Prediction of novel ordered phases in U-X (X= Zr, Sc, Ti, V, Cr, Y, Nb, Mo, Hf, Ta, W) binary alloys under high pressure
Peer-reviewed
Xiao L. Pan, Hong X. Song, H. Wang, F.C. Wu, Y.C. Gan, Xiang R. Chen, Ying Chen, Hua Y. Geng
Acta Materialia 263 119489-13pp 2023/11
DOI：
10.1016/j.actamat.2023.119489
-
The uniaxial zero thermal expansion and zero linear compressibility in distorted Prussian blue analogue RbCuCo(CN)6
Peer-reviewed
Lei Wang, Ya-Ning Sun, Xian-Deng Wei, Meng Yin, Ying Chen, Hideo Miura, Ken Suzukib, Cong Wang
Phys. Chem. Chem. Phys 25 32845-32852 2023/11
DOI：
10.1039/d3cp04563c
-
Synthetic first-principles studies from phase equilibria to microstructural formation in the Fe-Pt L10 phase
Peer-reviewed
M. Ohno, Y. Chen, Y. Chinda, T. Mohri
Phys. Rev. B 107 174111 (8 pp) 2023/05
DOI：
10.1103/PhysRevB.107.174111
-
An accurate interatomic potential for the TiAlNb ternary alloy developed by deep neural network learning method
Peer-reviewed
Jiajun Lu, Jinkai Wang, Kaiwei Wan, Ying Chen, Hao Wang, Xinghua Shi
J. Chem. Phys. 158 204702 (10 pp) 2023/05
DOI：
10.1063/5.0147720
-
Prediction of novel final phases in aged uranium-niobium alloys
Peer-reviewed
Xiao L. Pan, Hao Wang, Lei L. Zhang, Yu F. Wang, Xiang R. Chen, Hua Y. Geng, Ying Chen
Journal of Nuclear Materials 579 154394 (11 pp) 2023/03
DOI：
10.1016/j.jnucmat.2023.154394
-
DFT Calculations of Structural, Magnetic and Stability of FeNiCo-based and FeNiCr-based Quaternary Alloys
Peer-reviewed
Nguyen-Dung Tran, Theresa Davey, Ying Chen
J. Appl. Phys 133 045101 (12 pp) 2023/01
DOI：
10.1063/5.0134915
-
Element-wise Representations with ECNet for Material Properties Prediction and Application in High-Entropy Alloys
Peer-reviewed
X. M. Wang, N.-D. Tran, S. Zeng, C. Hou, Y. Chen, N. Jun
npj Comput. Mater. 8 253 (10 pp) 2022/12
DOI：
10.1038/s41524-022-00945-x
-
Penta-graphene and phagraphene: thermal expansion, linear compressibility, and Poisson’s ratio
Peer-reviewed
Lei Wang, Ying Chen, Hideo Miura, Ken Suzuki, Cong Wang
Journal of Physics: Condensed Matter 34 505301(11 pp) 2022/10
-
Anharmonic interaction in negative thermal expansion material CaTiF6
Peer-reviewed
Lei Wang, Ying Chen, Jun Ni, Feng Ye, Cong Wang
Inorganic Chemistry 61 17378-17386 2022/10
DOI：
10.1021/acs.inorgchem.2c03263
-
Tunable uniaxial, area, and volume negative thermal expansion in quartz-like and diamond-like metal–organic frameworks
Peer-reviewed
Lei Wang, Ying Chen, Hideo Miura, Ken Suzuki, Cong Wang
RSC Advances, 12 (34) 21770-21779 2022/08
DOI：
10.1039/d2ra03292a
eISSN：
2046-2069
-
Influences of multicenter bonding and interstitial elements on pseudo-twinned γ-TiAl crystal
Peer-reviewed
Jianxin Huang, Jinkai Wang, Hao Wang, Jiajun Lu, Xiao-Gang Lu, Jun Jiang, Ying Chen
Phys. Scr. 97 085403(10pp)) 2022/07
DOI：
10.1088/1402-4896/ac8123
-
Vacancy ordering in sub-stoichiometric zirconium carbide: A review
Invited
Peer-reviewed
Theresa Davey, Ying Chen
Int. J. Ceramic Eng. & Sci. 2022 1-24 2022/03
DOI：
10.1002/ces2.10126
-
Development of a Prototype Thermodynamic Database for Nd-Fe-B Permanent Magnets
Peer-reviewed
Taichi ABE, Masao MORISHITA, Ying CHEN, Arkapol SAENGDEEJING, Kiyoshi HASHIMOTO, Yoshinao KOBAYASHI, Ikuo OHNUMA, Toshiyuki KOYAMA, Satoshi HIROSAWA
Journal of the Japan Society of Powder and Powder Metallurgy 69 (Supplement) S52-S62 2022/01/30
Publisher:
Japan Society of Powder and Powder Metallurgy
DOI：
10.2497/jjspm.69.s52
ISSN：
0532-8799
eISSN：
1880-9014
-
Cubic halide perovskites as potential low thermal conductivity materials;A combined;approach of machine learning;first-principles calculations
Peer-reviewed
Xinming Wang, Yinchang, Zhao Shuming, Zeng, Zhuchi Wang, Ying Chen, Jun Ni
Phy. Rev. B 105 014310 (11 pp) 2022/01/27
DOI：
10.1103/PhysRevB.105.014310
-
The effect of impurities o;stacking fault energy;dislocation properties in γ-TiAl
Peer-reviewed
Jinkai Wang, Qiyang Li, Zhanpeng Lu, Hao Wang, Xiao-Gang Lu, Ying Chen
Vacuum 197 110866 (7 pp) 2022/01
DOI：
10.1016/j.vacuum.2021.110866
-
The effect of oxygen impurities on the stability and structural properties of vacancy-ordered and -disordered ZrCx
Peer-reviewed
Theresa Davey, Ying Chen
RSC Adv. 12 3198-3215-3215 2022/01
DOI：
10.1039/D1RA07768F
-
Sm–Ti binary thermodynamic database and phase diagram
Peer-reviewed
Arkapol Saengdeejing, Ying Chen, Osamu Takeda, Masanori Enoki, Satoshi Sugimoto, Hiroshi Ohtani, Abe Taichi
Calphad: Computer Coupling of Phase Diagrams and Thermochemistry 75 2021/12
DOI：
10.1016/j.calphad.2021.102357
ISSN：
0364-5916
-
First-Principles Investigation on Work Function of Martensitic Carbon Steels: Effect of Interstitial Carbon on Anodic Dissolution Resistance
Peer-reviewed
Mariko Kadowaki, Arkapol Saengdeejing, Izumi Muto, Ying Chen, Takashi Doi, Kaori Kawano, Yu Sugawara, Nobuyoshi Hara
Journal of The Electrochemical Society 168 (11) 111503-111503 2021/11/01
Publisher:
The Electrochemical Society
DOI：
10.1149/1945-7111/ac3276
ISSN：
0013-4651
eISSN：
1945-7111
-
Improving Thermodynamic Stability of SmFe12-Type Permanent Magnets from High Entropy Effect
Peer-reviewed
Arkapol Saengdeejing, Ying Chen
Journal of Phase Equilibria and Diffusion 42 (5) 592-605 2021/10/01
Publisher:
Springer
DOI：
10.1007/s11669-021-00894-w
ISSN：
1863-7345 1547-7037
-
Stability and Thermodynamics Properties of CrFeNiCoMn/Pd High Entropy Alloys from First Principles
Peer-reviewed
Nguyen Dung Tran, Arkapol Saengdeejing, Ken Suzuki, Hideo Miura, Ying Chen
Journal of Phase Equilibria and Diffusion 42 (5) 606-616 2021/10
DOI：
10.1007/s11669-021-00900-1
ISSN：
1547-7037
eISSN：
1863-7345
-
The bonding variation of γ-TiAl during deformation
Peer-reviewed
Jinkai Wang, Xin Cui, Jianxin Huang, Hao Wang, Zhanpeng Lu, Yanlin He, Ying Chen
Physical Chemistry Chemical Physics 23 (6) 3905-3914 2021/02/14
DOI：
10.1039/d0cp06395a
ISSN：
1463-9076
-
Interplay of Anionic Quasi-Atoms and Interstitial Point Defects in Electrides: Abnormal Interstice Occupation and Colossal Charge State of Point Defects in Dense fcc-Lithium
Peer-reviewed
Leilei Zhang, Qiang Wu, Shourui Li, Yi Sun, Xiaozhen Yan, Ying Chen, Hua Y. Geng
ACS Applied Materials and Interfaces 13 (5) 6130-6139 2021/02/10
DOI：
10.1021/acsami.0c17095
ISSN：
1944-8244
eISSN：
1944-8252
-
Stability and structural properties of vacancy-ordered and -disordered ZrCx
Peer-reviewed
Theresa Davey, Ken Suzuki, Hideo Miura, Ying Chen
RSC Advances 11 (52) 32573-32589 2021
Publisher:
Royal Society of Chemistry (RSC)
DOI：
10.1039/d1ra06362f
eISSN：
2046-2069
-
First-principles-only CALPHAD phase diagram of the solid aluminium-nickel (Al-Ni) system
Peer-reviewed
Theresa Davey, Nguyen-Dung Tran, Arkapol Saengdeejing, Ying Chen
Calphad: Computer Coupling of Phase Diagrams and Thermochemistry 71 2020/12/01
Publisher:
Elsevier Ltd
DOI：
10.1016/j.calphad.2020.102008
ISSN：
0364-5916
-
Influences of multicenter bonding and interstitial elements on twinned γ-TiAl Crystal
Peer-reviewed
Zehang Fu, Jinkai Wang, Hao Wang, Xiaogang Lu, Yanlin He, Ying Chen
Materials 13 (9) 2020/05/01
DOI：
10.3390/MA13092016
eISSN：
1996-1944
-
Roles of Interstitial Nitrogen, Carbon, and Boron in Steel Corrosion: Generation of Oxyanions and Stabilization of Electronic Structure
Peer-reviewed
Mariko Kadowaki, Arkapol Saengdeejing, Izumi Muto, Ying Chen, Gerald S. Frankel, Takashi Doi, Kaori Kawano, Yu Sugawara, Nobuyoshi Hara
Journal of The Electrochemical Society 167 (8) 081503-081503 2020/04/23
Publisher:
The Electrochemical Society
DOI：
10.1149/1945-7111/ab8926
eISSN：
1945-7111
-
First-principles analysis of the inhibitive effect of interstitial carbon on an active dissolution of martensitic steel
Peer-reviewed
Mariko Kadowaki, Arkapol Saengdeejing, Izumi Muto, Ying Chen, Hiroyuki Masuda, Hideki Katayama, Takashi Doi, Kaori Kawano, Hideo Miura, Yu Sugawara, Nobuyoshi Hara
Corrosion Science 163 2020/02
DOI：
10.1016/j.corsci.2019.108251
ISSN：
0010-938X
-
Evaluations of variant models for stacking fault energy based on γ-TiAl
Peer-reviewed
Jinkai Wang, Zehang Fu, Zhanpeng Lu, Hao Wang, Yanlin He, Masanori Kohyama, Ying Chen
Philosophical Magazine 99 (24) 3096-3115 2019/12/17
DOI：
10.1080/14786435.2019.1660013
ISSN：
1478-6435
eISSN：
1478-6443
-
Theoretical study of the edge effect of dumbbellshape graphene nanoribbon with a dual electronic properties by first-principle calculations
Peer-reviewed
Qinqiang Zhang, Takuya Kudo, Jowesh Gounder, Ying Chen, Ken Suzuki, Hideo Miura
International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2019-September 2019/09
DOI：
10.1109/SISPAD.2019.8870398
-
Black phosphorene exhibiting negative thermal expansion and negative linear compressibility
Peer-reviewed
Lei Wang, Cong Wang, Ying Chen
Journal of Physics Condensed Matter 31 (46) 2019/08/20
DOI：
10.1088/1361-648X/ab3673
ISSN：
0953-8984
eISSN：
1361-648X
-
Failure mode in first-principles computational tensile tests of grain boundaries: Effects of a bulk-region size, dominant factors, and local-energy and local-stress analysis
Peer-reviewed
Hao Wang, Masanori Kohyama, Shingo Tanaka, Jinkai Wang, Ying Chen
Journal of Physics Condensed Matter 31 (9) 2019/01/16
DOI：
10.1088/1361-648X/aaf7f2
ISSN：
0953-8984
eISSN：
1361-648X
-
Accuracy of Real Space Cluster Expansion for Total Energies of Pd-rich PdX (X=Rh, Ru) Alloys, based on Full-Potential KKR Calculations for Perfect and Impurity Systems
Peer-reviewed
Mitsuhiro Asato, Chang Liu, Nobuhisa Fujima, Toshiharu Hoshino, Ying Chen, Tetsuo Mohri
MATEC Web of Conferences 264 03002-03002 2019
Publisher:
{EDP} Sciences
DOI：
10.1051/matecconf/201926403002
ISSN：
2261-236X
-
Optical properties of dense lithium in electride phases by first-principles calculations
Peer-reviewed
Zheng Yu, Hua Y. Geng, Y. Sun, Y. Chen
Scientific Reports 8 (1) 2018/12/01
DOI：
10.1038/s41598-018-22168-1
eISSN：
2045-2322
-
Computational phase diagrams for the Nd-based magnets based on the combined ab initio/CALPHAD approach
Peer-reviewed
Taichi Abe, Ying Chen, Arkapol Saengdeejimg, Yoshinao Kobayashi
Scripta Materialia 154 305-310 2018/09
DOI：
10.1016/j.scriptamat.2018.01.030
ISSN：
1359-6462
-
Ab-initio calculations for solvus temperatures of Pd-rich PdRu alloys: Real-space cluster expansion and cluster variation method
Peer-reviewed
Chang Liu, Mitsuhiro Asato, Nobuhisa Fujima, Toshiharu Hoshino, Ying Chen, Tetsuo Mohri
Materials Transactions 59 (3) 338-347 2018
DOI：
10.2320/matertrans.M2017292
ISSN：
1345-9678
-
Interaction energies among Rh impurities in Pd and solvus temperatures of Pd-Rich PdRh alloys
Peer-reviewed
Chang Liu, Mitsuhiro Asato, Nobuhisa Fujima, Toshiharu Hoshino, Ying Chen, Tetsuo Mohri
Materials Transactions 59 (6) 883-889 2018
DOI：
10.2320/matertrans.M2017409
ISSN：
1345-9678
-
Real space cluster expansion for total energies of Pd-Rich PdX (X = Rh, Ru) alloys, based on full-potential KKR calculations: An approach from a dilute limit
Peer-reviewed
Chang Liu, Mitsuhiro Asato, Nobuhisa Fujima, Toshiharu Hoshino, Ying Chen, Tetsuo Mohri
Materials Transactions 59 (11) 1669-1676 2018
DOI：
10.2320/matertrans.M2018194
ISSN：
1345-9678
-
Mechanical properties of Fe-rich Si alloy from Hamiltonian
Peer-reviewed
Tetsuo Mohri, Ying Chen, Masanori Kohyama, Shigenobu Ogata, Arkapol Saengdeejing, Somesh Kumar Bhattacharya, Masato Wakeda, Shuhei Shinzato, Hajime Kimizuka
npj Computational Materials 3 (1) 2017/12/01
DOI：
10.1038/s41524-017-0012-4
eISSN：
2057-3960
-
Mechanical properties of Fe rich Fe-Si alloys: Ab initio local bulk-modulus viewpoint
Peer-reviewed
Somesh Kr Bhattacharya, Masanori Kohyama, Shingo Tanaka, Yoshinori Shiihara, Arkapol Saengdeejing, Ying Chen, Tetsuo Mohri
Materials Research Express 4 (11) 2017/11
DOI：
10.1088/2053-1591/aa97a4
eISSN：
2053-1591
-
B2-disorder phase boundary calculations in Fe rich region of Fe-Si binary system with tetrahedron approximation of CVM
Peer-reviewed
Naoya Kiyokane, Ying Chen, Takako Yamashita, Masayasu Nagoshi, Takaaki Iguchi, Tetsuo Mohri
Calphad: Computer Coupling of Phase Diagrams and Thermochemistry 56 207-214 2017/03/01
DOI：
10.1016/j.calphad.2017.01.003
ISSN：
0364-5916
-
Ab initio characterization of B, C, N, and O in bcc iron: Solution and migration energies and elastic strain fields
Peer-reviewed
Maaouia Souissi, Ying Chen, Marcel H.F. Sluiter, Hiroshi Numakura
Computational Materials Science 124 249-258 2016/11/01
DOI：
10.1016/j.commatsci.2016.07.037
ISSN：
0927-0256
-
First-principles Study of Stability of Cu in the Nd-rich and Nd Oxide Phases of Nd-Fe-B Permanent Magnet
Peer-reviewed
Arkapol Saengdeejing, Ying Chen, Masashi Matsuura, Satoshi Sugimoto
JOURNAL OF THE CHINESE CHEMICAL SOCIETY 63 (6) 506-512 2016/06
DOI：
10.1002/jccs.201500393
ISSN：
0009-4536
eISSN：
2192-6549
-
Highly tunable magnetism in silicene doped with Cr and Fe atoms under isotropic and uniaxial tensile strain
Peer-reviewed
Rui Zheng, Ying Chen, Jun Ni
Applied Physics Letters 107 (26) 2015/12/28
DOI：
10.1063/1.4938755
ISSN：
0003-6951
-
Thermodynamic Modeling of the Ni-H System
Peer-reviewed
Natacha Bourgeois, Jean Claude Crivello, Arkapol Saengdeejing, Ying Chen, Pierre Cenedese, Jean Marc Joubert
Journal of Physical Chemistry C 119 (43) 24546-24557 2015/10/29
DOI：
10.1021/acs.jpcc.5b06393
ISSN：
1932-7447
eISSN：
1932-7455
-
Molecular dynamics simulation of nano-contact between a diamond cutting tool and a copper surface
Yindi Cai, Yuanliu Chen, Yuki Shimizu, So Ito, Wei Gao, Ying Chen
Proceedings of the 8th International Conference on Leading Edge Manufacturing in 21st Century, LEM 2015 2015/10/18
-
Study on topological properties in two-dimensional grain networks via large-scale Monte Carlo simulation
Peer-reviewed
Li Meng, Hao Wang, Guoquan Liu, Ying Chen
Computational Materials Science 103 165-169 2015/06/02
DOI：
10.1016/j.commatsci.2015.03.044
ISSN：
0927-0256
-
Analysis of non-monotonic temperature behavior of the coefficient of thermal expansion in Fe-Ni alloys studied by first-principles cluster variation method
Peer-reviewed
Ryo Yamada, Ying Chen, Tetsuo Mohri
Materials Transactions 56 (9) 1501-1504 2015
DOI：
10.2320/matertrans.MAW201507
ISSN：
1345-9678
-
First-principles study of ni doping effect on mechanical properties of dilute Fe-Si alloy
Peer-reviewed
Ying Chen, Arkapol Saengdeejing, Tetsuo Mohri
PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015 911-912 2015/01/01
-
Long-range topological correlations of real polycrystalline grains in two dimensions
Peer-reviewed
Hao Wang, Guoquan Liu, Ying Chen, Arkapol Saengdeejing, Hideo Miura, Ken Suzuki
MATERIALS CHARACTERIZATION 97 178-182 2014/11
DOI：
10.1016/j.matchar.2014.09.017
ISSN：
1044-5803
eISSN：
1873-4189
-
Formation of the Face-Centered Cubic (FCC)-NdOx Phase at Nd/Nd-Fe-B Interface: A First-Principles Modeling
Peer-reviewed
Ying Chen, Arkapol Saengdeejing, Masashi Matsuura, Satoshi Sugimoto
JOM 66 (7) 1133-1137 2014/07
DOI：
10.1007/s11837-014-1004-1
ISSN：
1047-4838
eISSN：
1543-1851
-
Verification of a generalized Aboav-Weaire law via experiment and large-scale simulation
Peer-reviewed
H. Wang, G. Q. Liu, Y. Chen, W. W. Li
EPL 105 (6) 2014/03
DOI：
10.1209/0295-5075/105/68001
ISSN：
0295-5075
eISSN：
1286-4854
-
First-principles cluster variation calculations of tetragonal-cubic transition in ZrO2
Peer-reviewed
Tetsuo Mohri, Ying Chen, Naoya Kiyokane
JOURNAL OF ALLOYS AND COMPOUNDS 577 (SUPPL. 1) S123-S126 2013/11
DOI：
10.1016/j.jallcom.2012.04.059
ISSN：
0925-8388
eISSN：
1873-4669
-
First-principles study on the dilute Si in bcc Fe: Electronic and elastic properties up to 12.5 at.%Si
Peer-reviewed
Arkapol Saengdeejing, Ying Chen, Ken Suzuki, Hideo Miura, Tetsuo Mohri
Computational Materials Science 70 100-106 2013
DOI：
10.1016/j.commatsci.2012.12.028
ISSN：
0927-0256
-
Theoretical calculations for magnetic property of FeRh inter-metallic compound with site-exchange defects
Peer-reviewed
Yasunori Kaneta, Shiori Ishino, Ying Chen, Shuichi Iwata, Akihiro Iwase
Japanese Journal of Applied Physics 50 (10 PART 1) 2011/10
DOI：
10.1143/JJAP.50.105803
ISSN：
0021-4922
eISSN：
1347-4065
-
First principles modeling of stability mechanism of nonstoichiometric uranium dioxide
Peer-reviewed
Ying Chen, Hua Y. Geng, Yasunori Kaneta, Motoyasu Kinoshita, Shuichi Iwata
Computational Materials Science 49 (4 SUPPL.) 2010/10
DOI：
10.1016/j.commatsci.2010.01.018
ISSN：
0927-0256
-
Interplay of defect cluster and the stability of xenon in uranium dioxide from density functional calculations
Peer-reviewed
Hua Y. Geng, Ying Chen, Yasunori Kaneta, Motoyasu Kinoshita, Q. Wu
Physical Review B - Condensed Matter and Materials Physics 82 (9) 2010/09/14
DOI：
10.1103/PhysRevB.82.094106
ISSN：
1098-0121
eISSN：
1550-235X
-
First-principles study on effective doping to improve the optical properties in spinel nitrides
Peer-reviewed
Hao Wang, Ying Chen, Yasunori Kaneta, Shuichi Iwata
Journal of Alloys and Compounds 491 (1-2) 550-559 2010/02/18
DOI：
10.1016/j.jallcom.2009.10.267
ISSN：
0925-8388
-
Multi-scale phase field simulation of disorder-order transition, combined with cluster variation and path probability methods
Peer-reviewed
Munekazu Ohno, Ying Chen, Tetsuo Mohri
Materials Science Forum 631-632 401-406 2010
DOI：
10.4028/www.scientific.net/MSF.631-632.401
ISSN：
0255-5476
eISSN：
1662-9752
-
First-principles study of formation and properties of Fcc-NdO<inf>x</inf> in Nd-Fe-B sintered magnets
Peer-reviewed
Ying Chen, Satoshi Hirosawa, Shuichi Iwata
Materials Science Forum 654-656 1674-1677 2010
DOI：
10.4028/www.scientific.net/MSF.654-656.1674
ISSN：
0255-5476
eISSN：
1662-9752
-
First-principles study on cerium ion behavior in irradiated cerium dioxide
Peer-reviewed
Misako Iwasawa, Toshiharu Ohnuma, Ying Chen, Yasunori Kaneta, Hua Yun Geng, Akihiro Iwase, Motoyasu Kinoshita
Journal of Nuclear Materials 393 (2) 321-327 2009/09/01
DOI：
10.1016/j.jnucmat.2009.06.026
ISSN：
0022-3115
-
Effective interatomic potentials based on the first principles material database
Peer-reviewed
T. Yamamoto, S. Ohnishi, Y. Chen, S. Iwata
Data Science Journal 8 62-69 2009/05/20
DOI：
10.2481/dsj.007-051
ISSN：
1683-1470
eISSN：
1683-1470
-
First-principles calculation of L1<inf>0</inf> -disorder phase equilibria for Fe-Ni system
Peer-reviewed
Tetsuo Mohri, Ying Chen, Yu Jufuku
Calphad: Computer Coupling of Phase Diagrams and Thermochemistry 33 (1) 244-249 2009/03
DOI：
10.1016/j.calphad.2008.09.005
ISSN：
0364-5916
-
Recovery and restructuring induced by fission energy ions in high burnup nuclear fuel
Peer-reviewed
M. Kinoshita, K. Yasunaga, T. Sonoda, A. Iwase, N. Ishikawa, M. Sataka, K. Yasuda, S. Matsumura, H. Y. Geng, T. Ichinomiya, Y. Chen, Y. Kaneta, M. Iwasawa, T. Ohnuma, Y. Nishiura, J. Nakamura, Hj Matzke
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 267 (6) 960-963 2009/03
DOI：
10.1016/j.nimb.2009.02.022
ISSN：
0168-583X
-
Temperature accelerated dynamics study of migration process of oxygen defects in UO<inf>2</inf>
Peer-reviewed
Takashi Ichinomiya, Blas P. Uberuaga, Kurt E. Sickafus, Yasumasa Nishiura, Mitsuhiro Itakura, Ying Chen, Yasunori Kaneta, Motoyasu Kinoshita
Journal of Nuclear Materials 384 (3) 315-321 2009/02/28
DOI：
10.1016/j.jnucmat.2008.12.040
ISSN：
0022-3115
-
Ab initio investigation on oxygen defect clusters in UO(2+x)
Peer-reviewed
Hua Y. Geng, Ying Chen, Yasunori Kaneta, Motoyasu Kinoshita
APPLIED PHYSICS LETTERS 93 (20) 201903 2008/11
DOI：
10.1063/1.3035846
ISSN：
0003-6951
-
Molecular dynamics study on planar clustering of xenon in UO<inf>2</inf>
Peer-reviewed
H. Y. Geng, Y. Chen, Y. Kaneta, M. Kinoshita
Journal of Alloys and Compounds 457 (1-2) 465-471 2008/06/12
DOI：
10.1016/j.jallcom.2007.03.030
ISSN：
0925-8388
-
Combined ab initio/CALPHAD modeling of fcc-based phase-equilibria in the Ir-Nb system
Peer-reviewed
Taichi Abe, Ying Chen, Yoko Yamabe-Mitarai, Hiroshi Numakura
Calphad: Computer Coupling of Phase Diagrams and Thermochemistry 32 (2) 353-360 2008/06
DOI：
10.1016/j.calphad.2007.12.006
ISSN：
0364-5916
-
Stability mechanism of cuboctahedral clusters in UO(2+x): First-principles calculations
Peer-reviewed
Hua Y. Geng, Ying Chen, Yasunori Kaneta, Motoyasu Kinoshita
PHYSICAL REVIEW B 77 (18) 180101 2008/05
DOI：
10.1103/PhysRevB.77.180101
ISSN：
1098-0121
eISSN：
1550-235X
-
Point defects and clustering in uranium dioxide by LSDA+U calculations
Peer-reviewed
Hua Y. Geng, Ying Chen, Yasunori Kaneta, Misako Iwasawa, Toshiharu Ohnuma, Motoyasu Kinoshita
Physical Review B - Condensed Matter and Materials Physics 77 (10) 2008/03/26
DOI：
10.1103/PhysRevB.77.104120
ISSN：
1098-0121
eISSN：
1550-235X
-
Study of fission and high-burnup induced restructuring of nuclear fuel ceramics - Applying computer science to investigate kinetic process
M. Kinoshita, Y. Chen, Y. Kaneta, H. Y. Geng, M. Iwasawa, T. Ohnuma, T. Ichinomiya, Y. Nishiura, M. Itakura, J. Nakamura, K. Misoo, S. Suzuki, H. J. Matzke
Materials Research Society Symposium Proceedings 1043 292-328 2008
ISSN：
0272-9172
-
First-principles investigation of structural, electronic and optical properties of IVA group spinel nitrides
Peer-reviewed
Hao Wang, Ying Chen, Yasunori Kaneta, Shuichi Iwata
European Physical Journal B 59 (2) 155-165 2007/09
DOI：
10.1140/epjb/e2007-00283-3
ISSN：
1434-6028
eISSN：
1434-6036
-
Structural behavior of uranium dioxide under pressure by LSDA+U calculations
Peer-reviewed
H. Y. Geng, Y. Chen, Y. Kaneta, M. Kinoshita
Physical Review B - Condensed Matter and Materials Physics 75 (5) 2007/02/22
DOI：
10.1103/PhysRevB.75.054111
ISSN：
1098-0121
eISSN：
1550-235X
-
From phase equilibria to transformation dynamics
Peer-reviewed
T. Mohri, M. Ohno, Y. Chen
Defect and Diffusion Forum 263 21-30 2007
DOI：
10.4028/3-908451-35-3.21
ISSN：
1012-0386
eISSN：
1662-9507
-
First principles study of point defects in uranium dioxide
Peer-reviewed
Ying Chen, Misako Iwasawa, Yasunori Kaneta, Toshiharu Ohnuma, Hua Yun Geng, Motoyasu Kinoshita
Materials Science Forum 561-565 (PART 3) 1971-1974 2007
DOI：
10.4028/0-87849-462-6.1971
ISSN：
0255-5476
eISSN：
1662-9752
-
Phase field calculations with CVM free energy within square approximation
Peer-reviewed
Tetsuo Mohri, Nao Fujihashi, Ying Chen
Materials Science Forum 561-565 (PART 3) 1935-+ 2007
DOI：
10.4028/0-87849-462-6.1935
ISSN：
0255-5476
eISSN：
1662-9752
-
First-principles investigation of the structural, electronic and optical properties of olivine-Si3N4 and olivine-Ge3N4
Peer-reviewed
Hao Wang, Ying Chen, Yasunori Kaneta, Shuichi Iwata
Journal of Physics Condensed Matter 18 (47) 10663-10676 2006/11/29
DOI：
10.1088/0953-8984/18/47/012
ISSN：
0953-8984
eISSN：
1361-648X
-
First-principles calculation of point defects in uranium dioxide
Peer-reviewed
Misako Iwasawa, Ying Chen, Yasunori Kaneta, Toshiharu Ohnuma, Hua Yun Geng, Motoyasu Kinoshita
Materials Transactions 47 (11) 2651-2657 2006/11
DOI：
10.2320/matertrans.47.2651
ISSN：
1345-9678
-
Deviation of congruent composition in Fe-Pd system
Peer-reviewed
Tetsuo Mohri, Daisuke Hamajima, Ying Chen
Rare Metals 25 (5) 393-398 2006/10
DOI：
10.1016/S1001-0521(06)60074-0
ISSN：
1001-0521
-
First-principles calculation of phase equilibria and phase separation of the Fe-Ni alloy system
Peer-reviewed
Ying Chen, Shuichi Iwata, Tetsuo Mohri
Rare Metals 25 (5) 437-440 2006/10
DOI：
10.1016/S1001-0521(06)60081-8
ISSN：
1001-0521
-
First-principles calculations of phase equilibria and transformation dynamics of Fe-based alloys
Peer-reviewed
Tetsuo Mohri, Munekazu Ohno, Ying Chen
Journal of Phase Equilibria and Diffusion 27 (1) 47-53 2006/02
DOI：
10.1361/105497106X92790
ISSN：
1547-7037
-
Towards the first-principles investigation of ordering dynamics
Peer-reviewed
Tetsuo Mohri, Munekazu Ohno, Ying Chen
Materials Science Forum 475-479 (IV) 3075-3080 2005
DOI：
10.4028/0-87849-960-1.3075
ISSN：
0255-5476
eISSN：
1662-9752
-
Theoretical investigation of Fe-based phase equilibria from the first-principles
Peer-reviewed
Ying Chen, Shuichi Iwata, Tetsuo Mohri
Materials Science Forum 475-479 (IV) 3127-3130 2005
DOI：
10.4028/0-87849-960-1.3127
ISSN：
0255-5476
eISSN：
1662-9752
-
First-principles investigation of phase equilibria of fe-based alloy systems
Peer-reviewed
Ying Chen, Shuichi Iwata, Tetsuo Mohri
Proceedings of an International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2005 2 663-668 2005
-
First-principles calculation of ordering phase transition
Peer-reviewed
Tetsuo Mohri, Munekazu Ohno, Ying Chen
Proceedings of an International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2005 2 633-650 2005
-
Algebraic analysis of cluster expansion method and its application to first-principles calculations of phase equilibria
Peer-reviewed
Tetsuo Mohri, Ying Chen
Journal of the Japan Institute of Metals 68 (12) 966-972 2004/12
DOI：
10.2320/jinstmet.68.966
ISSN：
0021-4876
-
First-principles investigation of L1<inf>0</inf>-disorder phase equilibria of Fe-Ni, -Pd, and -Pt binary alloy systems
Peer-reviewed
Tetsuo Mohri, Ying Chen
Journal of Alloys and Compounds 383 (1-2) 23-31 2004/11/30
DOI：
10.1016/j.jallcom.2004.04.030
ISSN：
0925-8388
-
Phase separation of the B2 structure accompanied by an ordering in Co-Al and Ni-Al binary systems
Peer-reviewed
Hiroshi Ohtani, Ying Chen, Mitsuhiro Hasebe
Materials Transactions 45 (5) 1489-1498 2004/05
DOI：
10.2320/matertrans.45.1489
ISSN：
1345-9678
-
First-principles calculation of L1<inf>0</inf>-disorder phase boundary in Fe-Pd system
Peer-reviewed
Tetsuo Mohri, Ying Chen
Materials Transactions 45 (5) 1478-1484 2004/05
DOI：
10.2320/matertrans.45.1478
ISSN：
1345-9678
-
First-principles calculation of L1<inf>0</inf>-disorder phase diagram in Fe-Pt system within the first and second nearest neighbor pair interaction energies
Peer-reviewed
Y. Chen, S. Iwata, T. Mohri
Calphad: Computer Coupling of Phase Diagrams and Thermochemistry 26 (4) 583-589 2002/12
DOI：
10.1016/S0364-5916(02)80010-4
ISSN：
0364-5916
-
First-principles study for ordering and phase separation in the Fe-Pd system
Peer-reviewed
Y Chen, T Atago, T Mohri
Journal of Physics: Condensed Matter 14 (8) 1903-1913 2002/03
DOI：
10.1088/0953-8984/14/8/318
ISSN：
0953-8984
-
First-principles investigation of L10-disorder phase equilibrium in Fe-Pt system
Peer-reviewed
Tetsuo Mohri, Ying Chen
Materials Transactions 43 (8) 2104-2109 2002
Publisher:
Japan Institute of Metals (JIM)
DOI：
10.2320/matertrans.43.2104
ISSN：
1345-9678
-
A web-base data system for electronic structures by first principles approach
Peer-reviewed
Naoko Tatara, Ying Chen
Progress of Theoretical Physics Supplement (138) 755-756 2000
DOI：
10.1143/PTPS.138.755
ISSN：
0375-9687
-
Study on the Possibility of Structure Modification for Ductilization of (Fe, Co, Ni)3V
Peer-reviewed
CHEN Ying, MATSUO Munetsugu, TATARA Naoko
Progress of Theoretical Physics Sup. 138, 151-153 (138) 151-153 2000
Publisher:
Progress of Theoretical Physics
DOI：
10.1143/PTPS.138.151
ISSN：
0375-9687
-
Structural stability of atomic environment types in AB intermetallic compounds
Peer-reviewed
Y Chen, S Iwata, JN Liu, P Villars, J Rodgers
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 4 (4) 335-348 1996/07
DOI：
10.1088/0965-0393/4/4/001
ISSN：
0965-0393
-
Theoretical investigation on inversion for the phonon density of states
Peer-reviewed
Nan-Xian Chen, Ying Chen, Guang-ying Li
Physics Letters A 149 (7-8) 357-364 1990/10
Publisher:
Elsevier BV
DOI：
10.1016/0375-9601(90)90893-s
ISSN：
0375-9601
-
Electronic structure of the light-impurity (boron)–vacancy complex in iron
Peer-reviewed
Wang Chongyu, An Feng, Gu Binglin, Fusui Liu, Chen Ying
Physical Review B 38 (6) 3905-3912 1988/08/15
Publisher:
American Physical Society (APS)
DOI：
10.1103/physrevb.38.3905
ISSN：
0163-1829
-
Electronic structure of light-impurity–vacancy complex cluster in iron
Peer-reviewed
Chen Ying, Wang Chong-yu, Fu-sui Liu
Physical Review B 37 (18) 10510-10519 1988/06/15
DOI：
10.1103/physrevb.37.10510
ISSN：
0163-1829
