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| Density functional study of the phase diagram and thermodynamic properties of Zr 期刊论文
Computational Materials Science, 2011, 卷号: 50, 期号: 3, 页码: 835-840
作者: C. E. Hu; Z. Y. Zeng; L. Zhang; X. R. Chen; L. C. Cai
 Adobe PDF(619Kb) |  收藏 | 浏览/下载：114/0 | 提交时间：2012/04/13
Density Functional Theory Lattice Dynamics Thermal Equation Of State Group-iv Metals Phonon-dispersion Bcc Zirconium Omega-phase Pressure Transition 1st-principles State Hcp Ti |
| Lattice Dynamics and Thermodynamics of Molybdenum from First-Principles Calculations 期刊论文
Journal of Physical Chemistry B, 2010, 卷号: 114, 期号: 1, 页码: 298-310
作者: Z. Y. Zeng; C. E. Hu; L. C. Cai; X. R. Chen; F. Q. Jing
Adobe PDF(3293Kb) | 收藏 | 浏览/下载：98/0 | 提交时间：2012/04/13
X-ray-diffraction State Shock Hugoniots Bcc Transition-metals Equation-of-state Temperature-dependence Elastic-constants Phase-transitions High-pressures Mo Compression |
| Molecular dynamics simulations of the melting curve of tantalum under pressure 期刊论文
Physical Review B, 2008, 卷号: 77, 期号: 2
作者: Z. L. Liu; L. C. Cai; X. R. Chen; F. Q. Jing
Adobe PDF(615Kb) | 收藏 | 浏览/下载：99/0 | 提交时间：2012/04/13
Equation-of-state Bcc Transition-metals Shock Compression Ta Mo Phase Al Hugoniots Aluminum Copper |
| The effect of Nb and V on the electronic structure of edge dislocation core in Fe 期刊论文
Computational Materials Science, 2007, 卷号: 39, 期号: 3, 页码: 557-562
作者: H. L. Dang; C. Y. Wang
收藏 | 浏览/下载：71/0 | 提交时间：2012/04/13
Electronic Structure Dislocation First Principles Method Bcc Transition-metals Hydrogen Embrittlement Precipitation Complexes Efficient Energies Exchange Defects Ni3al |
| Molecular dynamics simulation of kink in (100) edge dislocation in body centred cubic iron 期刊论文
Chinese Science Bulletin, 2007, 卷号: 52, 期号: 16, 页码: 2291-2296
作者: L. Q. Chen; C. Y. Wang; T. Yu
收藏 | 浏览/下载：74/0 | 提交时间：2012/04/13
Molecular Dynamics Edge Dislocation Kink Structure Bcc Iron Screw Dislocations Atomistic Simulation Transition-metals Bcc Lattice Relaxation Principles Energies Silicon |
| Investigation of structure and energy of edge dislocation in bcc iron 期刊论文
Acta Physica Sinica, 2006, 卷号: 55, 期号: 11, 页码: 5980-5986
作者: L. Q. Chen; C. Y. Wang; T. Yu
收藏 | 浏览/下载：101/0 | 提交时间：2012/04/13
Bcc Fe Edge Dislocation Molecular Dynamics Simulation Transition-metals Core Structure Alpha-iron |
| Dislocation slip or deformation twinning: confining pressure makes a difference 期刊论文
Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, 2004, 卷号: 387, 页码: 840-844
作者: D. S. Xu; J. P. Chang; J. Li; R. Yang; D. Li; S. Yip
收藏 | 浏览/下载：85/0 | 提交时间：2012/04/14
Twin Nucleation Molecular Dynamics B.c.c. Metal Mo Pressure Multilayer Stacking-faults Bcc Metals Transition-metals Molybdenum Lattices Crystals Fcc |
| Monte Carlo simulation of the surface segregation of Pt-Pd and Pt-Ir alloys with an analytic embedded-atom method 期刊论文
Surface Science, Surface Science, 2002, 2002, 卷号: 517, 517, 期号: 1-3, 页码: 177-185, 177-185
作者: H. Q. Deng; W. Y. Hu; X. L. Shu; L. H. Zhao; B. W. Zhang
收藏 | 浏览/下载：86/0 | 提交时间：2012/04/14
Surface Segregation Surface Segregation Semi-empirical Models And Model Calculations Semi-empirical Models And Model Calculations Monte Monte Carlo Simulations Carlo Simulations Alloys Alloys Transition-metal Alloys Transition-metal Alloys Laser Vaporization Laser Vaporization Hcp Metals Hcp Metals Method Model Method Model Bulk Alloys Bulk Alloys Bcc Metals Bcc Metals Potentials Potentials Energies Energies Fcc Fcc Cu Cu |
| The electronic effect of N impurity in an < 100 > edge dislocation core system in alpha-iron 期刊论文
Computational Materials Science, 2001, 卷号: 22, 期号: 3-4, 页码: 144-150
作者: Y. Niu; S. Y. Wang; D. L. Zhao; C. Y. Wang
收藏 | 浏览/下载：80/0 | 提交时间：2012/04/14
Structure Relaxation Electronic Structure Edge Dislocation Core System First-principles Method Alpha-iron Bcc Transition-metals Hcp Metals Computer-simulation Screw-dislocation Local-density Grain-boundaries Energy Hydrogen Ni3al Fe |
| 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 |
