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| Accurate calculations of the high-pressure elastic constants based on the first-principles 期刊论文
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 8, 页码: -
作者: Wang Chen-Ju; Gu Jian-Bing; Kuang Xiao-Yu; Yang Xiang-Dong; scu_kxy@163.com
  收藏 | 浏览/下载：124/0 | 提交时间：2016/04/21
Accurate Calculation Elastic Constants High-pressure First-principles |
| First principles investigations on elastic and electronic properties of BaHfN2 under pressure 期刊论文
Journal of Alloys and Compounds, 2012, 卷号: 526, 页码: 74-78
作者: P. Wang; Y. Cheng; X. H. Zhu; X. R. Chen; G. F. Ji
收藏 | 浏览/下载：118/0 | 提交时间：2013/02/05
Density Functional Theory Elastic Properties Electronic Structures High Pressure Bahfn2 Transition-metal Nitrides Ternary Nitrides Growing Class Thin-films Chemistry Constants Temperature Accurate Energy State |
| 核电压力容器用SA508-3钢准确定氢及热处理组织研究 学位论文
, 北京: 中国科学院金属研究所, 2012
作者: 郝露菡
收藏 | 浏览/下载：105/0 | 提交时间：2013/04/12
Sa508-3钢 准确定氢 扩氢热处理 有限元模拟 组织演化 Sa508-3 Steel Accurate Hydrogen Determination Anti-flake Heat Treatment Fem Simulation Microstructure Evolution |
| First-Principle Calculations for Elastic and Thermodynamic Properties of Diamond 期刊论文
Communications in Theoretical Physics, 2009, 卷号: 51, 期号: 6, 页码: 1129-1134
作者: Z. J. Fu; G. F. Ji; X. R. Chen; Q. Q. Gou
Adobe PDF(446Kb) | 收藏 | 浏览/下载：91/0 | 提交时间：2012/04/13
Density Functional Theory Elastic Constants Thermodynamic Properties Diamond Ab-initio Calculations Vibrational Frequencies High-pressure Bulk Modulus Temperature Constants Exchange Accurate Energy Phase |
| Comparative studies of hyperhomodesmotic reactions for the calculation of standard heats of formation of fullerenes 期刊论文
Journal of Physical Chemistry A, 2006, 卷号: 110, 期号: 1, 页码: 299-302
作者: C. H. Sun; G. Q. Lu; H. M. Cheng
收藏 | 浏览/下载：83/0 | 提交时间：2012/04/14
Structural Motifs Carbon Hydrocarbons Stability Energies Clusters Accurate |
| Energetics and electronic structure of Re and Ta in the gamma ' phase of Ni-based superalloys 期刊论文
Physical Review B, 2002, 卷号: 65, 期号: 3
作者: S. Y. Wang; C. Y. Wang; J. H. Sun; W. H. Duan; D. L. Zhao
收藏 | 浏览/下载：87/0 | 提交时间：2012/04/14
Site Preference Ni3al Additions Magnetism Accurate Energy Substitution Molecules Stability |
| The electronic effect in the < 100 > edge dislocation core system with a carbon atom in alpha-iron: a first-principles study 期刊论文
Journal of Physics-Condensed Matter, 2001, 卷号: 13, 期号: 19, 页码: 4267-4276
作者: Y. Niu; S. Y. Wang; D. L. Zhao; C. Y. Wang
收藏 | 浏览/下载：174/0 | 提交时间：2012/04/14
Bcc Transition-metals Hcp Metals Screw-dislocation Local-density Computer-simulation Energy Behavior Hydrogen Accurate Stress |
| Calculation of theoretical strengths and bulk moduli of bcc metals 期刊论文
Physical Review B, 1999, 卷号: 59, 期号: 22, 页码: 14220-14225
作者: Y. Song; R. Yang; D. Li; W. T. Wu; Z. X. Guo
收藏 | 浏览/下载：108/0 | 提交时间：2012/04/14
Density Potentials Accurate Energy |
