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Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: UNSP 109151
作者:  Fu XQ(付雪琼);  Liang LH(梁立红);  Wei YG(魏悦广)
收藏  |  浏览/下载:90/0  |  提交时间:2019/12/17
Thermal conductivity modeling using machine learning potentials: application to crystalline and amorphous silicon 期刊论文
MATERIALS TODAY PHYSICS, 2019, 卷号: 10, 页码: UNSP 100140
作者:  Qian X.;  彭神佑.;  Li X.;  Wei YJ(魏宇杰);  Yang R.
收藏  |  浏览/下载:46/0  |  提交时间:2020/03/21
Mesoscience-based virtual process engineering 期刊论文
COMPUTERS & CHEMICAL ENGINEERING, 2019, 卷号: 126, 页码: 68-82
作者:  Ge, Wei;  Guo, Li;  Liu, Xinhua;  Meng, Fanyong;  Xu, Ji
收藏  |  浏览/下载:63/0  |  提交时间:2019/09/03
Understanding the thermodynamic properties of 20% CeO2 stabilized ZrO2 coatings with atomistic modeling and simulations 期刊论文
MATERIALS RESEARCH EXPRESS, 2019, 卷号: 6, 期号: 7
作者:  Gul, Sahar Ramin;  Khan, Matiullah;  Zeng, Yi;  Wu, Bo
收藏  |  浏览/下载:42/0  |  提交时间:2019/12/26
Core structures and planar faults associated with < 111 > screw superdislocations in B2 alloys) 期刊论文
INTERMETALLICS, 2019, 卷号: 110, 页码: 8
作者:  Yan, J. X.;  Zhang, Z. J.;  Li, K. Q.;  Xia, Z. Y.;  Yang, J. B.
收藏  |  浏览/下载:140/0  |  提交时间:2021/02/02
Development of the interatomic potentials for W-Ta system 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 163, 页码: 91-99
作者:  Gao, Fei;  Chen, Yangchun;  Fang, Jingzhong;  Liu, Lixia;  Hu, Wangyu
收藏  |  浏览/下载:51/0  |  提交时间:2019/11/10
Competitive or additive behavior for H2O and CO2 gasification of coal char? Exploration via simplistic atomistic simulation 期刊论文
Carbon, 2019, 卷号: 141, 页码: 226-237
作者:  Du, Yongbo;  Wang, Chang'an;  Xin, Haihui;  Che, Defu;  Mathews, Jonathan P.
收藏  |  浏览/下载:8/0  |  提交时间:2019/11/19
Atomistic insight into ordered defect superstructures at novel grain boundaries in CuO nanosheets: From structures to electronic properties 期刊论文
NANO RESEARCH, 2019, 卷号: 12, 期号: 5
作者:  Zhao, Lulu;  Li, Lei;  Sheng, Huaping;  Zheng, He;  Jia, Shuangfeng
收藏  |  浏览/下载:30/0  |  提交时间:2019/12/05
Structural evolution of AlN nanoclusters and the elemental chemisorption characteristics: Atomistic insight 期刊论文
Nanomaterials, 2019, 卷号: 9, 期号: 10
作者:  Nie X.;  Zhao Q.;  Du W.;  Zhansheng L.;  Li H.
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/11
Theoretical prediction of a novel aluminum nitride nanostructure: Atomistic exposure 期刊论文
CERAMICS INTERNATIONAL, 2019, 卷号: 45, 期号: 17, 页码: 23690-23693
作者:  Nie, Xi;  Qian, Zhao;  Li, Hu;  Ahuja, Rajeev;  Liu, Xiangfa
收藏  |  浏览/下载:120/0  |  提交时间:2019/12/11


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