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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  
Phase transition and elastic constants of zirconium from first-principles calculations 期刊论文
Journal of Physics-Condensed Matter, 2008, 卷号: 20, 期号: 23
作者:  Y. J. Hao;  L. Zhang;  X. R. Chen;  Y. H. Li;  H. L. He
Adobe PDF(316Kb)  |  收藏  |  浏览/下载:124/0  |  提交时间:2012/04/13
Augmented-wave Method  Omega-phase  Structural Stability  Bcc Zirconium  Hcp Metals  Pressure  State  Equation  Zr  Potentials