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Molecular dynamics simulation of the transformation of Fe-Co alloy by machine learning force field based on atomic cluster expansion 期刊论文
CHEMICAL PHYSICS LETTERS, 2023, 卷号: 826, 页码: 6
作者:  Li, Yongle;  Xu, Feng;  Hou, Long;  Sun, Luchao;  Su, Haijun;  Li, Xi;  Ren, Wei
收藏  |  浏览/下载：19/0  |  提交时间：2024/01/07
Molecular dynamics  Atomic cluster expansion  Fe-Co Alloy  Density functional theory  Phase transition  Force field  
Defect-rich graphene stabilized atomically dispersed Cu-3 clusters with enhanced oxidase-like activity for antibacterial applications 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2022, 卷号: 301, 页码: 7
作者:  Meng, FanChi;  Peng, Mi;  Chen, Yunlei;  Cai, Xiangbin;  Huang, Fei;  Yang, Lini;  Liu, Xiao;  Li, Tao;  Wen, Xiaodong;  Wang, Ning;  Xiao, Dequan;  Jiang, Hong;  Xia, Lixin;  Liu, Hongyang;  Ma, Ding
收藏  |  浏览/下载：152/0  |  提交时间：2022/01/27
Atomic dispersion  Cu cluster  Defect-rich graphene  Oxidase-like activity  Antibacterial  
Cooperative Sites in Fully Exposed Pd Clusters for Low-Temperature Direct Dehydrogenation Reaction 期刊论文
ACS CATALYSIS, 2021, 卷号: 11, 期号: 18, 页码: 11469-11477
作者:  Wang, Linlin;  Diao, Jiangyong;  Peng, Mi;  Chen, Yunlei;  Cai, Xiangbin;  Deng, Yuchen;  Huang, Fei;  Qin, Xuetao;  Xiao, Dequan;  Jiang, Zheng;  Wang, Ning;  Sun, Ting;  Wen, Xiaodong;  Liu, Hongyang;  Ma, Ding
收藏  |  浏览/下载：135/0  |  提交时间：2021/11/22
atomic dispersion  Pd cluster  defect-rich graphene  dehydrogenation  heterogeneous catalysis  
Cooperative Sites in Fully Exposed Pd Clusters for Low-Temperature Direct Dehydrogenation Reaction 期刊论文
ACS CATALYSIS, 2021, 卷号: 11, 期号: 18, 页码: 11469-11477
作者:  Wang, Linlin;  Diao, Jiangyong;  Peng, Mi;  Chen, Yunlei;  Cai, Xiangbin;  Deng, Yuchen;  Huang, Fei;  Qin, Xuetao;  Xiao, Dequan;  Jiang, Zheng;  Wang, Ning;  Sun, Ting;  Wen, Xiaodong;  Liu, Hongyang;  Ma, Ding
收藏  |  浏览/下载：189/0  |  提交时间：2021/11/22
atomic dispersion  Pd cluster  defect-rich graphene  dehydrogenation  heterogeneous catalysis  
The formation of stacking fault tetrahedra in Al and Cu II SFT growth by successive absorption of vacancies generated by dipole annihilation 期刊论文
Acta Materialia, 2011, 卷号: 59, 期号: 1, 页码: 41200
作者:  H. Wang;  D. S. Xu;  R. Yang;  P. Veyssiere
收藏  |  浏览/下载：106/0  |  提交时间：2012/04/13
Stacking Fault Tetrahedron  Dislocation Dipole  Dislocation  Annihilation  Molecular Dynamics Simulations  Vacancy Cluster  Edge-dislocation Dipoles  Fcc Metals  Tensile Properties  Single-crystals  Quenched Gold  Temperature-dependence  Point-defects  Atomic-scale  Part i  Copper  
Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure 期刊论文
Chemical Physics Letters, 2011, 卷号: 512, 期号: 4-6, 页码: 263-268
作者:  C. G. Li;  X. Y. Kuang;  Y. R. Zhao;  R. P. Chai;  H. Li
Adobe PDF(340Kb)  |  收藏  |  浏览/下载：73/0  |  提交时间：2012/04/13
Atomic Screening Constants  Scf Functions  Epr-spectra  Temperature  Crystals  Nickel  Zno  Distortions  Dependence  Cluster  
Studies of the g factors for the tetragonally elongated and compressed CuIIN6 octahedra in image omitted (MI = K, Rb, Cs; MII = Ca, Sr, Ba, Pb) crystals 期刊论文
Philosophical Magazine, 2010, 卷号: 90, 期号: 13, 页码: 1701-1709
作者:  W. C. Zheng;  Y. Mei;  L. He
Adobe PDF(146Kb)  |  收藏  |  浏览/下载：56/0  |  提交时间：2012/04/13
Crystal Field  Electron Paramagnetic Resonance  Octahedral Cluster  Charge Transfer  Spin-hamiltonian Parameters  Atomic Screening Constants  Jahn-teller  Distortion  Temperature-dependence  Lead Hexanitrocuprate(Ii)  2-mechanism Model  Scf Functions  Br Crystals  Complexes  Bands  
Developing aluminum-based bulk metallic glasses 期刊论文
Philosophical Magazine, 2010, 卷号: 90, 期号: 23, 页码: 3215-3231
作者:  B. J. Yang;  J. H. Yao;  Y. S. Chao;  J. Q. Wang;  E. Ma
Adobe PDF(1572Kb)  |  收藏  |  浏览/下载：121/0  |  提交时间：2012/04/13
Bulk Metallic Glasses  Cluster Packing Model  Aluminum Alloys  Electronegativity  Supercooled Liquid Region  Amorphous-alloys  Atomic Packing  Mechanical-properties  Forming Ability  Systems  Formability  Electronegativity  Temperature  Transition  
MOLECULAR DYNAMICS SIMULATION OF THE NUCLEATION IN A SUPERCOOLED LIQUID Ni3Al 期刊论文
ACTA METALLURGICA SINICA, 2008, 卷号: 44, 期号: 10, 页码: 1157-1160
作者:  Zhao Yi;  Zhao Jiuzhou;  Hu Zhuangqi
收藏  |  浏览/下载：85/0  |  提交时间：2021/02/02
molecular dynamic simulation  nucleation  atomic cluster  Ni3Al melt  supercooling  
The development of microstructure in a rapidly solidified Cu 期刊论文
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2007, 卷号: 452, 页码: 103-109
作者:  Liu, J.;  Zhao, J. Z.;  Hu, Z. Q.
收藏  |  浏览/下载：72/0  |  提交时间：2021/02/02
molecular dynamics simulation  atomic cluster  glass transition  crystallization