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An investigation of self-interstitial diffusion in α-zirconium by an on-the-fly machine learning force field 期刊论文
AIP ADVANCES, 2024, 卷号: 14, 期号: 5, 页码: 7
作者:  Shi, Tan;  Liu, Wenlong;  Zhang, Chen;  Lyu, Sixin;  Sun, Zhipeng
收藏  |  浏览/下载:0/0  |  提交时间:2024/06/17
Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文
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:1/0  |  提交时间:2024/05/27
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
收藏  |  浏览/下载:4/0  |  提交时间:2024/02/05
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
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:0/0  |  提交时间:2024/01/08
Mechanisms of the improved stiffness of flexible polymers under impact loading 期刊论文
NANOTECHNOLOGY REVIEWS, 2022, 卷号: 11, 期号: 1, 页码: 3281-3291
作者:  Chen,Fengxiao;  Fan,Jitang;  Hui,David;  Wang C(王超);  Yuan FP(袁福平)
收藏  |  浏览/下载:17/0  |  提交时间:2023/02/03
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
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:14/0  |  提交时间:2023/02/03
Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients 期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27
作者:  Hong, Qizhen;  Bartolomei, Massimiliano;  Coletti, Cecilia;  Lombardi, Andrea;  Sun, Quanhua
收藏  |  浏览/下载:36/0  |  提交时间:2022/03/05
Analysis of dynamic decomposition for barium dimethyl-naphthalene-sulfonate on an Al3Mg (001) surface from ab-initio molecular dynamics 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 466, 页码: 772-779
作者:  Zhong J;  Li X;  欧阳文泽;  Tian Y
收藏  |  浏览/下载:46/0  |  提交时间:2019/04/11
Grain misorientation and grain-boundary rotation dependent mechanical properties in polycrystalline graphene 期刊论文
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2013, 卷号: 61, 期号: 6, 页码: 1421-1432
作者:  Wu JT(吴江涛);  Wei YJ(魏宇杰)
收藏  |  浏览/下载:14/0  |  提交时间:2013/03/06
Silicon nanowire reinforced by single-walled carbon nanotube and its applications to anti-pulverization electrode in lithium ion battery 期刊论文
Composites Part B-Engineering, 2012, 卷号: 43, 期号: 1, 页码: 76-82
作者:  Zang JL(臧金良);  Zhao YP(赵亚溥)
收藏  |  浏览/下载:15/0  |  提交时间:2012/12/04


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