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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
Authors:  Zhang, Siyan;  Liu, Mei;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin;  Wang, Jingyang
Favorite  |  View/Download:3/0  |  Submit date: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
Authors:  Liu, Jide;  Wang, Xue;  Du, Xaoming;  Xie, Ming;  Li, Jinguo;  Zhao, Shangqiang;  Zhou, Yizhou;  Zhang, Qiao;  Fang, Jiheng
Favorite  |  View/Download:9/0  |  Submit date: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
Authors:  Shi, Yong-Peng;  Liu, Ming-Feng;  Chen, Yun;  Mo, Wen-Lin;  Li, Dian-Zhong;  Fa, Tao;  Bai, Bin;  Wang, Xiao-Lin;  Chen, Xing-Qiu
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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
Authors:  Xue, Hongtao;  Lei, Chao;  Tang, Fuling;  Li, Xiuyan;  Luo, Yaqiao;  Ren, Junqiang;  Lu, Xuefeng
Favorite  |  View/Download:46/0  |  Submit date: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
Authors:  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
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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
Authors:  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
Favorite  |  View/Download:29/0  |  Submit date: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
Authors:  Liu, J.;  Du, X.;  Li, J.
Favorite  |  View/Download:37/0  |  Submit date: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
Authors:  Wang, Haitao;  Ding, Jiawei;  Zhang, Ruifeng;  Han, En-Hou
Favorite  |  View/Download:32/0  |  Submit date: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
Authors:  Wang, Haitao;  Ding, Jiawei;  Zhang, Ruifeng;  Han, En-Hou
Favorite  |  View/Download:38/0  |  Submit date:2021/02/02
Oxide film  High-temperature water  Interfacial reaction  Ab initio molecular dynamics  
Large influence of vacancies on the elastic constants of cubic epitaxial tantalum nitride layers grown by reactive magnetron sputtering 期刊论文
ACTA MATERIALIA, 2020, 卷号: 184, 页码: 254-266
Authors:  Abadias, Gregory;  Li, Chen-Hui;  Belliard, Laurent;  Hu, Qing Miao;  Greneche, Nicolas;  Djemia, Philippe
Favorite  |  View/Download:29/0  |  Submit date:2021/02/02
Nitrides  Thin films  Elastic constants  Point defects  Ab initio calculations