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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：114/0  |  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  
Phase stability comparison by first principle calculation and experimental observation of microstructure evolution in a Mg-6Gd-2Zn(wt%) alloy 期刊论文
Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, 2010, 卷号: 527, 期号: 10-11, 页码: 2643-2648
作者:  L. Lin;  P. Liang;  L. Yang;  L. J. Chen;  Z. Liu;  Y. M. Wang
Adobe PDF(1014Kb)  |  收藏  |  浏览/下载：101/0  |  提交时间：2012/04/13
Magnesium Alloy  Heat-treatment  Microstructure Evolution  Phase  Transformation  Ab Initio Calculation  Period Ordered Structure  Transmission Electron-microscopy  Total-energy  Calculations  Mg-gd Alloys  Y-zr Alloys  High-temperature  Mechanical-properties  Precipitate Phases  Tensile Properties  Wt.percent Alloy  
First principle calculation of oxidation of metals 期刊论文
HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 6, PRT 1 AND 2, PROCEEDINGS, 2004, 卷号: 461-464, 页码: 161-167
作者:  Zhu, SL;  Teng, YY;  Zhang, FY;  Wang, FH;  Wu, WT
收藏  |  浏览/下载：78/0  |  提交时间：2021/02/02
density functional theory  first principle molecular dynamics  total energy calculation  oxidation  aluminum  
First principle calculation of oxidation of metals 期刊论文
HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 6, PRT 1 AND 2, PROCEEDINGS, 2004, 卷号: 461-464, 页码: 161-167
作者:  Zhu, SL;  Teng, YY;  Zhang, FY;  Wang, FH;  Wu, WT
收藏  |  浏览/下载：75/0  |  提交时间：2021/02/02
density functional theory  first principle molecular dynamics  total energy calculation  oxidation  aluminum