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Ab initio molecular dynamics simulation on interfacial reaction behavior of Fe-Cr-Ni stainless steel in high temperature water 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 149, 页码: 143-152
作者:  Wang, HT;  Han, EH;  Wang, HT (reprint author), Chinese Acad Sci, Inst Met Res, CAS Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载:153/0  |  提交时间:2018/06/05
Stress-corrosion Cracking  Generalized-gradient Approximation  Pwr Primary Water  Crevice Corrosion  Oxide-films  Dissociative Adsorption  Electrochemical Noise  Pressurized-water  Aqueous-solutions  Pure Water  
The Interactions between High Temperature Water and Fe3O4(111) by First-Principles Molecular Dynamics Simulation 期刊论文
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2018, 卷号: 13, 期号: 3, 页码: 2430-2440
作者:  Haitao, WT;  Sun, XF;  Han, EH;  Haitao, WT (reprint author), Chinese Acad Sci, Inst Met Res, CAS Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载:191/0  |  提交时间:2018/06/05
316l Stainless-steel  Dissociative Adsorption  Electrochemical Noise  Corrosion Behavior  Ab-initio  304-stainless-steel  Chemistry  Surface  Resistance  Oxidation