| 1 |
MatCloud: A high-throughput computational infrastructure for integrated management of materials simulation, data and resources
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期刊论文 |
Xiao-yu Yang;Zong-guo Wang;Xu-shan Zhao;Jian-long Song;Ming-ming Zhang;Hai-dong Liu |
| 2 |
Error estimation in high-throughput density functional theory calculation for material property: elastic constants of cubic binary alloy case
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期刊论文 |
Juan Wang;Xiao-yu Yang;Gui-sheng Wang;Jie Ren;Zong-guo Wang;Xu-shan Zhao;Yue Pan |
| 3 |
Bias induced spin transitions of spin crossover molecules: the role of charging effect
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期刊论文 |
Hua Hao;Ting Jia;Xiao-hong Zheng;Zhi Zeng |
| 4 |
Effect of grain size on the behavior of hydrogen/helium retention in tungsten: a cluster dynamics modeling
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期刊论文 |
Zhe Zhao;Yong-gang Li;Chuan-guo Zhang;Guyue Pan;Pan-fei Tang;Zhi Zeng |
| 5 |
Mechanical properties of zirconium-based random alloys: Alloying elements and composition dependencies
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期刊论文 |
Sun-chao Huang;Yong-sheng Zhang;Xiao-li Zhang;Zong-guo Wang;Xiao-yu Yang;Zhi Zeng |
| 6 |
First-principles investigation of the orientation influenced He dissolution and diffusion behaviors on W surfaces
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期刊论文 |
Gu-yue Pan;Yong-gang Li;Yong-Sheng Zhang;Chuan-guo Zhang;Zhe Zhao;Zhi Zeng |
| 7 |
The collinear ↑↑↓↓ magnetism driven ferroelectricity in double-perovskite multiferroics
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期刊论文 |
Ting Jia;Zhi Zeng;H Q Lin |
| 8 |
Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles
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期刊论文 |
Ting Jia;Zhi Zeng;H Q Lin |
| 9 |
Approach and algorithm for generating appropriate doped structures for high-throughput materials screening
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期刊论文 |
Ming-ming Zhang;Xiao-yu Yang |
| 10 |
Hydrogen influence on generalized stacking fault energies of Zr {0001} basal plane: a first-principles study
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期刊论文 |
Song-jun Hou;Hua-ping Lei;Zhi Zeng |
| 11 |
MatCloud, a high-throughput computational materials infrastructure: Present, future visions, and challenges
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期刊论文 |
Xiao-yu Yang;Zong-guo Wang;Xu-shan Zhao;Jian-long Song;Chao Yu;Jia-xin Zhou;Kai Li |
| 12 |
A review of surface damage/microstructures and their effects on hydrogen/helium retention in tungsten
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期刊论文 |
Yong-Gang Li;Qi-Rong Zheng;Liu-Ming Wei;Chuan-Guo Zhang;Zhi Zeng |
| 13 |
An investigation of Na-related defects in Cu2ZnSnSe4
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期刊论文 |
Miao-miao Han;Xiao-Li Zhang;Zhi Zeng |
| 14 |
Key factors in radiation tolerance of BCC metals under steady state
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期刊论文 |
Liu-ming Wei;Yong-gang Li;Gao-feng Zhao;Qi-rong Zheng;Jing-wen Li;Zhi Zeng |
| 15 |
Realizing bias-induced spin transition with high-spin MnII complexes at room temperature
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期刊论文 |
Hua Hao;Ting Jia;Xiao-hong Zheng;Ling-ling Song;Zhi Zeng |
| 16 |
铁和钨中晶界对材料辐照损伤影响的理论模拟
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期刊论文 |
赵哲;李永钢;张传国;曾雉 |
| 17 |
The polymerization of nitrogen in Li2N2 at high pressures
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期刊论文 |
Jie Zhang;Xian-long Wang;Kai-shuai Yang;Ya Cheng;Zhi Zeng |
| 18 |
Bias induced spin state transition mediated by electron excitations
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期刊论文 |
Hua Hao;Ting Jia;Xiao-hong Zheng;Peng Liu;Zhi Zeng |
| 19 |
Construction of high-throughput computation platform for random alloys (HCPRA) and its applications
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期刊论文 |
Ting-Ting Li;Ting-Ting Li;Xiao-Li Zhang;Zhi Zeng |
| 20 |
Spin density waves predicted in zigzag puckered phosphorene, arsenene and antimonene nanoribbons
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期刊论文 |
Xiao-hua Wu;Xiao-li Zhang;Xian-long Wang;Zhi Zeng |
| 21 |
中子预辐照损伤对钨中氢滞留行为影响机制的多尺度模拟
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期刊论文 |
郑淇蓉;刘俊;李鹏迪;魏留明;李永钢;曾雉 |
| 22 |
Influence of defect distribution on the thermoelectric properties of FeNbSb based materials
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期刊论文 |
Shu-ping Guo;Kai-shuai Yang;Zhi Zeng;Yong-sheng Zhang |
| 23 |
氦在铝表面辐照和积聚的团簇动力学模拟
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期刊论文 |
魏留明;李永钢;赵高峰;叶小球;肖遥;曾雉 |
| 24 |
Schottky defects induced effects on the behaviors of high velocity shock compression of MgO
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期刊论文 |
Chuan-guo Zhang;Xian-long Wang;Jie Zhang;Kai-shuai Yang;Ya Cheng;Zhi Zeng;Xian-ming Zhou;Hai-qing Lin |
| 25 |
New methods for prediction of elastic constants based on density functional theory combined with machine learning
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期刊论文 |
Juan Wang;Xiao-yu Yang;Zhi Zeng;Xiao-li Zhang;Xu-shan Zhao;Zongguo Wang |
| 26 |
Magnetic crossover realized by electrical methods
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期刊论文 |
Hua Hao;Xiao-Hong Zheng;Ting Jia;Zhi Zeng |
| 27 |
核材料中子辐照损伤的团簇动力学模拟综述
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期刊论文 |
郑淇蓉;魏留明;张传国;李永钢;曾雉 |
| 28 |
Use of model-based library in critical dimension measurement by CD-SEM
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期刊论文 |
Y. B. Zou;M. S. S. Khan;Hui-min Li;Yong-gang Li;W. Li;Si-tianGao;L. S. Liu;Ze-jun Ding |
| 29 |
计及级联内缺陷空间关联的团簇动力学模拟
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期刊论文 |
唐攀飞;郑淇蓉;李静文;魏留明;张传国;李永钢;曾雉 |
| 30 |
硅中硼离子注入的带电缺陷动力学模拟
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期刊论文 |
李鹏迪;刘俊;张传国;李永钢;张永胜;赵高峰;曾雉 |
| 31 |
A better nanochannel tungsten film in releasing helium atoms
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期刊论文 |
Guo Wei;Jing-wen Li;Yong-gang Li;Hui-qiu Deng;Chang-zhong Jiang;Feng Ren |
| 32 |
Nano-beam and nano-target effects in ion radiation
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期刊论文 |
Yang Yang;Yong-gang Li;Michael P. Short;Chung-Soo Kim;Karl K. Berggren;Ju Li |
| 33 |
Orientation-dependent behaviors of H dissolution and diffusion near W surfaces: A first-principles study
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期刊论文 |
Gu-yue Pan;Yong-sheng Zhang;Yong-gang Li;Chuan-guo Zhang;Zhe Zhao;Zhi Zeng |
| 34 |
A Monte Carlo modeling on charging effect for structures with arbitrary geometries
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期刊论文 |
Li Chao;S. F. Mao;Y. B. Zou;Yong-Gang Li;P. Zhang;H. M. Li;Ze-jun Ding |
| 35 |
H dissolution and desorption in W (1 1 0) surface with the presence of He: A first-principles study
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期刊论文 |
Jing-wen Li;Yong-gang Li;Gao-feng Zhao;Chuan-guo Zhang;Liu-ming Wei;Zhi Zeng |
| 36 |
Ion radiation albedo effect: influence of surface roughness on ion implantation and sputtering of materials
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期刊论文 |
Yong-gang Li;Yang Yang;Michael P. Short;Ze-jun Ding;Zhi Zeng;Ju Li |
| 37 |
Defect physics in intermediate-band materials: Insights from an optimized hybrid functional
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期刊论文 |
Miao-miao Han;Zhi Zeng;Thomas Frauenheim;Peter Deák |
| 38 |
BCA simulations of ion irradiation of tungsten fuzz
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期刊论文 |
Zhang-can Yang;Wu-xin Song;Yong-gang Li;Jun Yang |
| 39 |
First-principles study on the electronic, optical and thermodynamic properties of ABO 3 (A = La,Sr, B = Fe,Co) perovskites
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期刊论文 |
Ting Jia;Zhi Zeng;H. Q. Lin;Yu-hua Duan;Paul Ohodnicki |
| 40 |
CE Screen: An energy-based structure screening automatic workflow
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期刊论文 |
Zong-guo Wang;Xiao-yu Yang;Li-gen Wang;Juan Wang;Ming-ming Zhang;Xu-shan Zhao;Jie Ren;Zhi Zeng |
