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浏览/检索结果: 共678条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序 Pressure-Induced Re-Entrant Superconductivity in Transition Metal Dichalcogenide TiSe2 期刊论文  OAI收割 SMALL, 2024 作者:  Xia, Wei;  Wu, Jiaxuan;  Xia, Chengliang;  Li, Zhongyang;  Yuan, Jian   |  收藏  |  浏览/下载：57/0  |  提交时间：2024/11/22 ab initio calculations  high pressure  re-entrant superconductivity  structural transition  transition metal dichalcogenide   Four-component full relativistic study on the spectroscopic properties and direct laser cooling schemes for the PbH, PoH, BiH+, and AtH+ molecules 期刊论文  OAI收割 JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2024, 卷号: 321, 页码: 109001 作者:  Luan, Jing-Zhen;  Yang, Chuan-Lu;  Li, Xiao-Hu;  Zhao, Wen-Kai;  Liu, Yu-Liang   |  收藏  |  浏览/下载：32/0  |  提交时间：2024/07/02 Spin-orbit coupling  Relativistic  Frank-Condon factor  Laser cooling  ab initio calculation   Theoretical investigation on structure, mechanical performance and oxidation resistance of the boron-doped PyC interphase in SiCf/ SiC composites 期刊论文  OAI收割 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   |  收藏  |  浏览/下载：0/0  |  提交时间：2025/04/27 Ceramic matrix composites (CMCs)  Ab-initio molecular dynamics (AIMD)  Pyrolytic carbon (PyC)  Interphase   Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文  OAI收割 MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14 作者:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong   |  收藏  |  浏览/下载：58/0  |  提交时间：2024/05/27 Li10GeP2S12 solid electrolyte  first-principles calculation  Ewald-summation-based electrostatic energy  machine learning- and active-learning-based LAsou method  ab initio molecular dynamics   First-principles design of high strength refractory high-entropy alloys 期刊论文  OAI收割 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   Function of cleavage strength for symmetrical tilt grain boundaries 期刊论文  OAI收割 ENGINEERING FRACTURE MECHANICS, 2024, 卷号: 295, 页码: 14 作者:  Hu SW(胡世威);  Liang, Hao;  Yin, Yihui;  Liang, Yanxiang;  Zhang, Yuanzhang   |  收藏  |  浏览/下载：106/0  |  提交时间：2024/02/05 Cleavage strength  Grain boundaries  Theoretical model  Ab initio tensile simulation  Critical energy release rate   Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文  OAI收割 ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155 作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun   |  收藏  |  浏览/下载：44/0  |  提交时间：2024/01/09 paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition   Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文  OAI收割 ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14 作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun   |  收藏  |  浏览/下载：44/0  |  提交时间：2023/02/03 paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition   Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文  OAI收割 ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14 作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun   |  收藏  |  浏览/下载：55/0  |  提交时间：2023/03/31 paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition   Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite 期刊论文  OAI收割 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   |  收藏  |  浏览/下载：98/0  |  提交时间：2022/09/16 Ab Initio molecular dynamics (AIMD)  Si-doped h-BN  Ceramic matrix composites (CMCs)  Interphase