机构

• 金属研究所 [8]
• 物理研究所 [3]
• 上海应用物理研究所 [3]

采集方式

• OAI收割 [14]

内容类型

• 期刊论文 [14]

发表日期

• 2018 [1]
• 2015 [2]
• 2014 [5]
• 2013 [1]
• 2012 [2]
• 2011 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共14条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Theoretical study of ZrCoH3 and the anti-disproportionation ability of alloying elements 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2018, 卷号: 43, 期号: 22, 页码: 10410-10419 作者:  Yang, G;  Liu, WG;  Tan, J;  Wu, SW;  Qiu, J   |  收藏  |  浏览/下载：92/0  |  提交时间：2018/09/06 Hydrogen Storage Properties  Minimum Energy Paths  Elastic Band Method  Zirconium-cobalt  Tritium Storage  Intermetallic Compound  Thermal-stability  High-temperature  1st Principles  Site Occupancy   Effect of Re on dislocation nucleation from crack tip in Ni by atomistic simulation 期刊论文  OAI收割 Computational Materials Science, 2015, 卷号: 97, 页码: 127-135 Z. G. Liu; C. Y. Wang; T. Yu 收藏  |  浏览/下载：20/0  |  提交时间：2015/01/14 Dislocation nucleation  Crack  Molecular dynamics  Re  single-crystal superalloy  minimum energy paths  elastic band method  saddle-points  behavior  activation   Theoretical study of the interaction between metallic fission products and defective graphite 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 106, 页码: 129—134 作者:  Xia, DQ 收藏  |  浏览/下载：16/0  |  提交时间：2015/12/09 MINIMUM ENERGY PATHS  ELASTIC BAND METHOD  SADDLE-POINTS  ELECTRON-GAS  GRAPHENE  1ST-PRINCIPLES   Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation 期刊论文  OAI收割 Chinese Physics B, 2014, 卷号: 23, 期号: 11 Z. G. Liu; C. Y. Wang; T. Yu 收藏  |  浏览/下载：22/0  |  提交时间：2015/01/14 molecular dynamics  activation energy  stacking fault nucleation  minimum energy paths  elastic band method  saddle-points  crack-tip  fracture   Cross-slip process in model Ni(Al) solid solution: An embedded-atom method study 期刊论文  OAI收割 Computational Materials Science, 2014, 卷号: 91, 页码: 192-199 J. P. Du; C. Y. Wang; T. Yu 收藏  |  浏览/下载：27/0  |  提交时间：2015/01/14 Atomistic simulations  Embedded-atom potential  Cross-slip process  Model Ni(Al) solid solution  elastic band method  screw dislocation intersections  centered-cubic  nickel  minimum energy paths  atomistic simulations  molecular-dynamics  lattice-defects  saddle-points  fcc metals  hydrogen   Understanding the Behavior of Native Point Defects in ZrC by First-Principles Calculations 期刊论文  OAI收割 Journal of the American Ceramic Society, 2014, 卷号: 97, 期号: 12, 页码: 4024-4030 Y. H. Zhang; J. M. Wang; B. Liu; J. Y. Wang; H. B. Zhang 收藏  |  浏览/下载：32/0  |  提交时间：2015/01/14 generalized gradient approximation  transition-metal carbides  minimum  energy paths  elastic band method  saddle-points  diffusion  dynamics  carbon  pseudopotentials  irradiation   The ternary Ni-Al-Co embedded-atom-method potential for gamma/gamma ' Ni-based single-crystal superalloys: Construction and application 期刊论文  OAI收割 Chinese Physics B, 2014, 卷号: 23, 期号: 3 J. P. Du; C. Y. Wang; T. Yu 收藏  |  浏览/下载：21/0  |  提交时间：2014/07/03 interatomic interaction potential  embedded-atom method  Ni-based  single-crystal superalloys  misfit dislocation networks  point-defect properties  minimum energy  paths  elastic band method  molecular-dynamics  interatomic potentials  saddle-points  gamma'-phase  hcp metals  cobalt   Fluorine interaction with defects on graphite surface by a first-principles study 期刊论文  OAI收割 APPLIED SURFACE SCIENCE, 2014, 卷号: 292, 页码: 488—493 Wang, S; Ke, XZ; Zhang, W; Gong, WB; Huai, P; Zhang, WQ; Zhu, ZY 收藏  |  浏览/下载：34/0  |  提交时间：2015/03/13 MINIMUM ENERGY PATHS  ELASTIC BAND METHOD  SADDLE-POINTS  CARBON  GRAPHENE  PRODUCTS   Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO(001) 期刊论文  OAI收割 Journal of Physical Chemistry C, 2013, 卷号: 117, 期号: 14, 页码: 7114-7122 X. Y. Sun; B. Li; H. Metiu 收藏  |  浏览/下载：23/0  |  提交时间：2013/12/24 evans-polanyi relation  minimum energy paths  initio molecular-dynamics  transition-metal surfaces  oxygen-vacancy formation  finding  saddle-points  augmented-wave method  elastic band method  co oxidation  heterogeneous catalysis   Oxygen Bridges between NiO Nanosheets and Graphene for Improvement of Lithium Storage 期刊论文  OAI收割 Acs Nano, 2012, 卷号: 6, 期号: 4, 页码: 3214-3223 G. M. Zhou; D. W. Wang; L. C. Yin; N. Li; F. Li; H. M. Cheng 收藏  |  浏览/下载：27/0  |  提交时间：2013/02/05 graphene  NiO nanosheets  oxygen bridge  oxygen functional groups  density functional theory  lithium ion batteries  li-ion batteries  negative-electrode materials  augmented-wave method  minimum energy paths  elastic band method  anode material  nanostructured materials  reversible capacity  cyclic performance  saddle-points