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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：2/0  |  提交时间：2025/04/27
Ceramic matrix composites (CMCs)  Ab-initio molecular dynamics (AIMD)  Pyrolytic carbon (PyC)  Interphase  
First-principles design of high strength refractory high-entropy alloys 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2024, 卷号: 29, 页码: 3420-3436
作者:  Liu, Pengjing;  Zhang, Hualei;  Hu, Qingmiao;  Ding, Xiangdong;  Sun, Jun
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Multi -principal element alloys  Solid solution strengthening  Hardness and strength  Elastic properties  Anisotropy  Ab initio calculations  
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：100/0  |  提交时间：2022/09/16
Ab Initio molecular dynamics (AIMD)  Si-doped h-BN  Ceramic matrix composites (CMCs)  Interphase  
STRUCTURAL AND ELASTIC PROPERTIES OF AgNi10 ALLOY STUDIED WITH AB-INITIO CALCULATIONS 期刊论文
MATERIALI IN TEHNOLOGIJE, 2022, 卷号: 56, 期号: 2, 页码: 149-157
作者:  Liu, Jide;  Wang, Xue;  Du, Xaoming;  Xie, Ming;  Li, Jinguo;  Zhao, Shangqiang;  Zhou, Yizhou;  Zhang, Qiao;  Fang, Jiheng
收藏  |  浏览/下载：132/0  |  提交时间：2022/07/01
AgNi10 alloy  ab initio calculations  elastic anisotropy  thermodynamic properties  
Ab initio study of dynamical properties of U-Nb alloy melt* 期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30, 期号: 12, 页码: 8
作者:  Shi, Yong-Peng;  Liu, Ming-Feng;  Chen, Yun;  Mo, Wen-Lin;  Li, Dian-Zhong;  Fa, Tao;  Bai, Bin;  Wang, Xiao-Lin;  Chen, Xing-Qiu
收藏  |  浏览/下载：96/0  |  提交时间：2022/07/01
U-Nb alloy melt  dynamical properties  ab initio study  
Structure-composition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys 期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2021, 卷号: 154, 页码: 9
作者:  Xue, Hongtao;  Lei, Chao;  Tang, Fuling;  Li, Xiuyan;  Luo, Yaqiao;  Ren, Junqiang;  Lu, Xuefeng
收藏  |  浏览/下载：125/0  |  提交时间：2021/10/15
Alloys  Ab initio calculations  Electronic structure  Thermodynamic properties  Mechanical properties  
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：148/0  |  提交时间：2021/10/15
U-Nb liquid alloys at high temperatures  Localized Nb clusters  Ab initio molecular dynamics  
AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS 期刊论文
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226
作者:  Liu, J.;  Du, X.;  Li, J.
收藏  |  浏览/下载：138/0  |  提交时间：2021/03/15
Site occupancy  Ab initio calculations  Ni-based single crystal superalloys  Electronic structure  
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：136/0  |  提交时间：2021/02/02
Oxide film  High-temperature water  Interfacial reaction  Ab initio molecular dynamics