中文版 | English

在结果中检索

IMR OpenIR

浏览/检索结果: 共24条，第1-10条 帮助

已选(0)清除 条数/页：   排序方式：
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  
Cluster Hardening Effects on Twinning in Mg-Zn-Ca Alloys 期刊论文
METALS, 2022, 卷号: 12, 期号: 4, 页码: 10
作者:  Liu, Ruixue;  Wang, Jie;  Wang, Leyun;  Zeng, Xiaoqin;  Jin, Zhaohui
收藏  |  浏览/下载：95/0  |  提交时间：2022/07/01
Mg-Zn-Ca alloy  twin boundary  solute cluster hardening  molecular dynamics simulation  
First-principles studies of hydrogen behavior interacting with oxygen-enriched nanostructured particles in the ODS steels 期刊论文
International Journal of Hydrogen Energy, 2014, 卷号: 39, 期号: 32, 页码: 18506-18519
作者:  W. W. Xing;  X. Q. Chen;  P. T. Liu;  X. Wang;  P. C. Zhang;  D. Z. Li;  Y. Y. Li
收藏  |  浏览/下载：115/0  |  提交时间：2015/01/14
Ods Steels  Nanocluster  Oxygen-vacancy  Hydrogen Cluster  First-principles Calculation  Dispersion-strengthened Steels  Enhanced Localized Plasticity  Brillouin-zone Integrations  Initio Molecular-dynamics  Total-energy  Calculations  Augmented-wave Method  Oxide Particles  Ferritic Alloys  Electronic-structure  Delayed-fracture  
Density-functional theory study of structures, stabilities, and electronic properties of the Cu-2-doped silicon clusters: Comparison with pure silicon clusters 期刊论文
Physica B-Condensed Matter, 2012, 卷号: 407, 期号: 21, 页码: 4379-4386
作者:  P. Shao;  X. Y. Kuang;  L. P. Ding;  M. M. Zhong;  Z. H. Wang
收藏  |  浏览/下载：116/0  |  提交时间：2013/02/05
Density Functional Theory  Cu-si Cluster  Geometric Configuration  Laser-absorption Spectroscopy  Flight Mass-spectroscopy  Supersonic  Molecular-beam  Doped Germanium Clusters  Si Cage Clusters  Copper  Silicides  Geometries  
Structures and Absorption Optical Spectra of Silicon Cluster Si-9 via First-Principles Calculations 期刊论文
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2011, 卷号: 8, 期号: 12, 页码: 2423-2428
作者:  Li, Zhe;  Chen, Xiang-Rong;  Lan, Jun-Qing;  Bai, Yu-Lin
收藏  |  浏览/下载：101/0  |  提交时间：2021/02/02
Pseudopotential Density-Functional Theory  Langevin Molecular Dynamics Annealing Technique  Time-Dependent Local Density-Functional Formalism  Silicon Cluster  
Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic Ag(2)-doped Si(n) (n=1-11) Clusters: A Density-Functional Investigation 期刊论文
Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences, 2011, 卷号: 66, 期号: 5, 页码: 353-362
作者:  Y. R. Zhao;  X. Y. Kuang;  S. J. Wang;  Y. F. Li;  P. Lu
收藏  |  浏览/下载：105/0  |  提交时间：2012/04/13
Ag-si Cluster  Geometric Configuration  Density Function Method  Laser-absorption Spectroscopy  Flight Mass-spectroscopy  Supersonic  Molecular-beam  Small Silicon Clusters  Gold Silicides  Copper Silicide  States  Silver  Ions  
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  
Geometrical, electronic, and magnetic properties of small Au(n)Sc (n=1-8) clusters 期刊论文
Physica B-Condensed Matter, 2011, 卷号: 406, 期号: 17, 页码: 3160-3165
作者:  D. Die;  X. Y. Kuang;  B. Zhu;  J. J. Guo
Adobe PDF(910Kb)  |  收藏  |  浏览/下载：75/0  |  提交时间：2012/04/13
Au(n)Sc Cluster  Geometrical Structure  Electronic And Magnetic Property  Effective Core Potentials  Molecular Calculations  Gold Clusters  Oxidation  Catalysts  
Structural and electronic properties of silver-doped gold clusters Au(n)Ag(v) (2 <= n <= 10; v=0,+/- 1): comparison with pure gold clusters 期刊论文
Molecular Physics, 2011, 卷号: 109, 期号: 16, 页码: 2057-2068
作者:  P. Lu;  X. Y. Kuang;  A. J. Mao;  Z. H. Wang;  Y. R. Zhao
Adobe PDF(1604Kb)  |  收藏  |  浏览/下载：145/0  |  提交时间：2012/04/13
Silver-doped Gold Cluster  Geometric Structure  Electronic Property  Density Functional Theory  Relative Stability  Density-functional Calculations  Ion Mobility Measurements  Effective  Core Potentials  Molecular Calculations  Photoelectron-spectroscopy  Nanostructures  Transition  Oxidation  Anions  Shape  
Coalescence between Cu-57 and Cu-58 clusters at a room temperature: molecular dynamics simulations 期刊论文
CHINESE PHYSICS B, 2010, 卷号: 19, 期号: 7, 页码: 6
作者:  Zhang Lin;  Li Wei;  Wang Shao-Qing
收藏  |  浏览/下载：77/0  |  提交时间：2021/02/02
cluster  molecular dynamics  computer simulation  surface