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Atomistic Insights into the Anisotropic and Low Thermal Conductivity in Neopentyl Glycol Crystals: A Molecular Dynamics Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125, 期号: 29, 页码: 15853-15862
作者:  Wang, Simin;  Sun, Liang;  Li, Bing;  Dai, Liang
收藏  |  浏览/下载:19/0  |  提交时间:2021/10/15
Identification of critical nuclei in the rapid solidification via configuration heredity 期刊论文
Journal of Physics: Condensed Matter, 2021, 卷号: 33, 期号: 17
作者:  Li,Yuan;  Peng,Ping;  Xu,Dongsheng;  Yang,Rui
收藏  |  浏览/下载:41/0  |  提交时间:2021/10/15
Dislocation self-interaction in TiAl: Evolution of super-dislocation dipoles revealed by atomistic simulations 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 69, 页码: 138-147
作者:  Zhen, Z.;  Wang, H.;  Teng, C. Y.;  Bai, C. G.;  Xu, D. S.
收藏  |  浏览/下载:30/0  |  提交时间:2021/10/15
Effects of surface modification of Nano-SiO2 imbedded in organic matrix on interfacial accumulation of water molecules: an atomistic simulation study 期刊论文
SURFACES AND INTERFACES, 2021, 卷号: 23, 页码: 13
作者:  Soleymanibrojeni, Mohammad;  Shi, Hongwei;  Liu, Fuchun;  Han, En-Hou
收藏  |  浏览/下载:12/0  |  提交时间:2021/10/15
Physically inspired atom-centered symmetry functions for the construction of high dimensional neural network potential energy surfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 186, 页码: 7
作者:  Zhang, Kangyu;  Yin, Lichang;  Liu, Gang
收藏  |  浏览/下载:40/0  |  提交时间:2021/03/15
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:10/0  |  提交时间:2021/02/02
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:11/0  |  提交时间:2021/02/02
Water in confinement of epoxy layer and hydroxylated (001) gamma-alumina: An atomistic simulation view 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 307, 页码: 10
作者:  Soleymanibrojeni, Mohammad;  Shi, Hongwei;  Liu, Fuchun;  Han, En-Hou
收藏  |  浏览/下载:9/0  |  提交时间:2021/02/02
Water in confinement of epoxy layer and hydroxylated (001) gamma-alumina: An atomistic simulation view 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 307, 页码: 10
作者:  Soleymanibrojeni, Mohammad;  Shi, Hongwei;  Liu, Fuchun;  Han, En-Hou
收藏  |  浏览/下载:6/0  |  提交时间:2021/02/02
Atomistic simulations of Epoxy/Water/Aluminum systems using the ReaxFF method 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 173, 页码: 11
作者:  Soleymanibrojeni, Mohammad;  Shi, Hongwei;  Liu, Fuchun;  Han, En-Hou
收藏  |  浏览/下载:38/0  |  提交时间:2021/02/02


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