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浏览/检索结果: 共8条，第1-8条 帮助 限定条件 发表日期：2019    专题：金属研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Atomic bonding and electronic stability of the binary sigma phase 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 811, 页码: 8 作者:  Liu, Wei;  Lu, Xiao-Gang;  Hu, Qing-Miao;  Wang, Hao;  Liu, Yi 收藏  |  浏览/下载：48/0  |  提交时间：2021/02/02 sigma phase  atomic bonding  electronic stability  DOS  ELF  first-principles calculations   Strong metal-metal interaction and bonding nature in metal/oxide interfaces with large mismatches 期刊论文 ACTA MATERIALIA, 2019, 卷号: 179, 页码: 237-246 作者:  Li, Hongping;  Saito, Mitsuhiro;  Chen, Chunlin 收藏  |  浏览/下载：12/0  |  提交时间：2021/02/02 Metal/oxide incoherent interface  Scanning transmission electron microscopy  First-principles calculations  Atomic-scale structure  Bonding nature   Strong metal-metal interaction and bonding nature in metal/oxide interfaces with large mismatches 期刊论文 ACTA MATERIALIA, 2019, 卷号: 179, 页码: 237-246 作者:  Li, Hongping;  Saito, Mitsuhiro;  Chen, Chunlin;  Inoue, Kazutoshi;  Akagi, Kazuto 收藏  |  浏览/下载：33/0  |  提交时间：2021/02/02 Metal/oxide incoherent interface  Scanning transmission electron microscopy  First-principles calculations  Atomic-scale structure  Bonding nature   First principles investigations of hydrogen interaction with vacancy-oxygen complexes in vanadium alloys 期刊论文 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 48, 页码: 26637-26645 作者:  Zhang, Pengbo;  Zou, Tingting;  Feng, Shaobo;  Zhao, Jijun 收藏  |  浏览/下载：21/0  |  提交时间：2021/02/02 Hydrogen  Vacancy-oxygen  Vanadium alloys  First principles calculations   First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317 作者:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang 收藏  |  浏览/下载：23/0  |  提交时间：2021/02/02 First-principles calculations  CdSiP2  Doping defects  Formation energy  Optical property   First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317 作者:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang 收藏  |  浏览/下载：8/0  |  提交时间：2021/02/02 First-principles calculations  CdSiP2  Doping defects  Formation energy  Optical property   Integrated modeling of molar volume of the sigma phase aided by first-principles calculations 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 791, 页码: 994-1004 作者:  Liu, Wei;  Lu, Xiao-Gang;  Wang, Hao;  Liu, Yi;  Hu, Qing-Miao 收藏  |  浏览/下载：14/0  |  提交时间：2021/02/02 sigma phase  molar volume  compound energy formalism (CEF)  first-principles calculations  integrated thermodynamic and molar volume model   Properties of beta/omega phase interfaces in Ti and their implications on mechanical properties and omega morphology 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 158, 页码: 49-57 作者:  Cao, Shuo;  Jiang, Yong;  Yang, Rui;  Hu, Qing-Miao 收藏  |  浏览/下载：4/0  |  提交时间：2021/02/02 Titanium alloys  Generalized stacking fault energy  Interface energy  First-principles calculations