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Theoretical investigation on structure, mechanical performance and oxidation resistance of the boron-doped PyC interphase in SiCf/ SiC composites 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2024, 卷号: 44, 期号: 5, 页码: 3074-3083
作者:  Liu, Mei;  Zhang, Siyan;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin;  Wang, Jingyang
收藏  |  浏览/下载：4/0  |  提交时间：2025/04/27
Ceramic matrix composites (CMCs)  Ab-initio molecular dynamics (AIMD)  Pyrolytic carbon (PyC)  Interphase  
Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
作者:  Zhang, Siyan;  Liu, Mei;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin;  Wang, Jingyang
收藏  |  浏览/下载：103/0  |  提交时间：2022/09/16
Ab Initio molecular dynamics (AIMD)  Si-doped h-BN  Ceramic matrix composites (CMCs)  Interphase  
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study 期刊论文
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:  Shi, Yongpeng;  Liu, Mingfeng;  Wang, Jiantao;  Ma, Hui;  Li, Ronghan;  Chen, Yun;  Mo, Wenlin;  Li, Dianzhong;  Bai, Bin;  Wang, Xiaolin;  Fa, Tao;  Chen, Xing-Qiu
收藏  |  浏览/下载：127/0  |  提交时间：2021/10/15
U-Nb liquid alloys at high temperatures  Localized Nb clusters  Ab initio molecular dynamics  
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study 期刊论文
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:  Shi, Yongpeng;  Liu, Mingfeng;  Wang, Jiantao;  Ma, Hui;  Li, Ronghan;  Chen, Yun;  Mo, Wenlin;  Li, Dianzhong;  Bai, Bin;  Wang, Xiaolin;  Fa, Tao;  Chen, Xing-Qiu
收藏  |  浏览/下载：150/0  |  提交时间：2021/10/15
U-Nb liquid alloys at high temperatures  Localized Nb clusters  Ab initio molecular dynamics  
Atomistic Insights into Interfacial Reactions of FeCr2O4 Oxide Films in High-Temperature Water 期刊论文
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2020, 卷号: 15, 期号: 9, 页码: 8662-8673
作者:  Wang, Haitao;  Ding, Jiawei;  Zhang, Ruifeng;  Han, En-Hou
收藏  |  浏览/下载：138/0  |  提交时间：2021/02/02
Oxide film  High-temperature water  Interfacial reaction  Ab initio molecular dynamics  
Atomistic Insights into Interfacial Reactions of FeCr2O4 Oxide Films in High-Temperature Water 期刊论文
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2020, 卷号: 15, 期号: 9, 页码: 8662-8673
作者:  Wang, Haitao;  Ding, Jiawei;  Zhang, Ruifeng;  Han, En-Hou
收藏  |  浏览/下载：133/0  |  提交时间：2021/02/02
Oxide film  High-temperature water  Interfacial reaction  Ab initio molecular dynamics  
Evolution of local atomic structure during solidification of U116Nb12 liquid: An ab initio molecular dynamics study 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 787, 页码: 267-275
作者:  Shi, Yongpeng;  Liu, Mingfeng;  Chen, Yun;  Wang, Xin;  Mo, Wenlin;  Li, Dianzhong;  Fa, Tao;  Bai, Bin;  Wang, Xiaolin;  Chen, Xing-Qiu
收藏  |  浏览/下载：126/0  |  提交时间：2021/02/02
U116Nb12 alloy  Structural evolution  Solidification  Ab initio molecular dynamics  
Evolution of local atomic structure during solidification of U116Nb12 liquid: An ab initio molecular dynamics study 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 787, 页码: 267-275
作者:  Shi, Yongpeng;  Liu, Mingfeng;  Chen, Yun;  Wang, Xin;  Mo, Wenlin;  Li, Dianzhong;  Fa, Tao;  Bai, Bin;  Wang, Xiaolin;  Chen, Xing-Qiu
收藏  |  浏览/下载：99/0  |  提交时间：2021/02/02
U116Nb12 alloy  Structural evolution  Solidification  Ab initio molecular dynamics  
Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 501, 页码: 94-103
作者:  Wang, XX;  Niu, LL;  Wang, SQ;  Wang, XX (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载：132/0  |  提交时间：2018/06/05
Stacking-fault Energy  Radiation-induced Segregation  High-entropy Alloys  Ab-initio Calculations  Ni-based Alloys  Molecular-dynamics  Defect Evolution  Fcc Metals  Gamma-fe  Irradiation  
First-principles study of the bonding characteristics of TiAl(111)/Al2O3(0001) interface 期刊论文
Intermetallics, 2015, 卷号: 60, 页码: 58-65
作者:  B. D.;  Dai Wang, J. H.;  Wu, X.;  Song, Y.;  Yang, R.
收藏  |  浏览/下载：108/0  |  提交时间：2015/05/08
Intermetallics  Oxidation  Ab-initio Calculations  Phase Interfaces  Alpha-al2o3 0001 Surface  Initio Molecular-dynamics  Titanium Aluminide  Alloys  Augmented-wave Method  Ti-al Intermetallics  Ab-initio  Oxidation Behavior  Gamma-tial(111) Surface  Electronic-structure  Universal Features