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Effect of lattice distortion in high-entropy RE2Si2O7 and RE2SiO5 (RE=Ho, Er, Y, Yb, and Sc) on their thermal conductivity: Experimental and molecular dynamic simulation study 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2023, 卷号: 43, 期号: 14, 页码: 6407-6415
作者:  Liu, Xiangyang;  Zhang, Peng;  Huang, Muzhang;  Han, Yi;  Xu, Na;  Li, Yi;  Zhang, Zijian;  Pan, Wei;  Wan, Chunlei
收藏  |  浏览/下载：14/0  |  提交时间：2024/01/08
High-entropy  Rare earth silicates  Lattice distortion  Thermal conductivity  Atomistic simulation  
Transfer or blockage: Unraveling the interaction between deformation twinning and grain boundary in tantalum under shock loading with molecular dynamics 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 156, 页码: 118-128
作者:  Meng, Z. C.;  Yang, M. M.;  Feng, A. H.;  Qu, S. J.;  Zhao, F.;  Yang, L.;  Yao, J. H.;  Yang, Y.;  Fan, Q. B.;  Wang, H.
收藏  |  浏览/下载：15/0  |  提交时间：2024/01/07
Plasticity  Grain boundary  Twin  Atomistic simulation  Tantalum  
Dislocation self-interaction in TiAl: Evolution of super-dislocation dipoles revealed by atomistic simulations 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 69, 页码: 138-147
作者:  Zhen, Z.;  Wang, H.;  Teng, C. Y.;  Bai, C. G.;  Xu, D. S.;  Yang, R.
收藏  |  浏览/下载：122/0  |  提交时间：2021/10/15
TiAl  Dislocation  Dipole  Mechanical property  Atomistic simulation  
General yield behaviors of the {110} hexagonal dislocation networks in body centered cubic metal molybdenum 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: 6
作者:  Xia, Z. Y.;  Zhang, Z. J.;  Yan, J. X.;  Yang, J. B.;  Zhang, Z. F.
收藏  |  浏览/下载：129/0  |  提交时间：2021/02/02
Hexagonal dislocation networks  Body centered cubic  Yielding behaviors  Small-angle twist grain boundaries  Atomistic simulation  
Dynamic recrystallization initiated by direct grain reorientation at high-angle grain boundary in -titanium 期刊论文
JOURNAL OF MATERIALS RESEARCH, 2019, 卷号: 34, 期号: 9, 页码: 1608-1621
作者:  Wang, Hao;  Bao, Qili L.;  Zhou, Gang;  Qiu, J. K.;  Yang, Yi;  Ma, Y. J.;  Bai, Chunguang G.;  Xu, Dongsheng S.;  Rugg, David;  Huang, Aijun J.;  Hu, Qing-Miao;  Lei, J. F.;  Yang, Rui
收藏  |  浏览/下载：192/0  |  提交时间：2021/02/02
plastic deformation  grain boundary  recrystallization  reorientation  atomistic simulation  
Effect of Cr Doping on the Surface Characteristics of Ni Metal Studied with First-Principles Calculation 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2019, 卷号: 32, 期号: 4, 页码: 461-470
作者:  Sun, Xian-Feng;  Wang, Hai-Tao;  Han, En-Hou
收藏  |  浏览/下载：106/0  |  提交时间：2021/02/02
Density functional theory  Surface characteristics  Nickel  Cr addition  Atomistic simulation  
Strengthening mechanisms of graphene coated copper under nanoindentation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 144, 页码: 42-49
作者:  Zhao, YB;  Peng, XH;  Fu, T;  Zhu, XF;  Hu, N;  Yan, C;  Peng, XH (reprint author), Chongqing Univ, Coll Aerosp Engn, 174 Shazheng St, Chongqing 400044, Peoples R China.;  Yan, C (reprint author), Queensland Univ Technol, Sch Chem Phys & Mech Engn, Sci & Engn Fac, 2 George St,GPO Box 2434, Brisbane, Qld, Australia.
收藏  |  浏览/下载：129/0  |  提交时间：2018/06/05
Molecular-dynamics Simulation  Monolayer Graphene  Deformation Twins  Nanolayered Composites  Atomistic Simulations  Plastic-deformation  Multilayers  Metals  Films  Nanocomposites  
Using a scalar parameter to trace dislocation evolution in atomistic modeling 期刊论文
Computational Materials Science, 2015, 卷号: 96, 页码: 85-89
作者:  J. B. Yang;  Z. F. Zhang;  Y. N. Osetsky;  R. E. Stoller
收藏  |  浏览/下载：183/0  |  提交时间：2015/01/14
Dislocation  Nye Tensor  Atomistic Modeling  Simulation  Plastic  Deformation  Molecular-dynamics  Core Structure  Simulations  Boundary  Crystal  
MD simulation of asymmetric nucleation and motion of < 011 superdislocations in TiAl 期刊论文
Chinese Science Bulletin, 2014, 卷号: 59, 期号: 15, 页码: 1725-1737
作者:  D. S. Xu;  H. Wang;  R. Yang;  A. K. Sachdev
收藏  |  浏览/下载：113/0  |  提交时间：2014/07/03
Tial  Superdislocation  Molecular Dynamics Simulation  Intermetallic  Compound  Asymmetry  Dissociation  Deformation  Stacking-fault Tetrahedra  Dislocation Core Structures  Single-crystals  Yield-stress  Temperature-dependence  Atomistic Simulation  Dipole  Annihilation  Deformation  Al  Dissociation  
Defect clustering upon dislocation annihilation in alpha-titanium and alpha-zirconium with hexagonal close-packed structure 期刊论文
Modelling and Simulation in Materials Science and Engineering, 2014, 卷号: 22, 期号: 8
作者:  H. Wang;  D. S. Xu;  R. Yang
收藏  |  浏览/下载：154/0  |  提交时间：2015/01/14
Hcp Metal  Dislocation  Point Defect  Clustering  Atomistic Simulation  Molecular-dynamics  Displacement Cascades  Atomistic Simulations  Temperature-dependence  Plastic-deformation  Screw Dislocations  Pure  Titanium  Fcc Metals  Hcp Metals  Irradiation