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Phonon properties and thermal conductivity from first principles, lattice dynamics, and the Boltzmann transport equation 期刊论文
JOURNAL OF APPLIED PHYSICS, 2019, 卷号: 125
作者:  McGaughey, Alan J. H.;  Jain, Ankit;  Kim, Hyun-Young;  Fu, Bo
收藏  |  浏览/下载：4/0  |  提交时间：2019/11/19
MD Simulations and first principles to evaluate the role of binary Fe?V alloys layer on the radiation resistance in the alpha-iron 期刊论文
Molecular Simulation, 2019, 卷号: 45, 页码: 178-185
作者:  Zhang, Meng;  Ding, Xinkai;  Peng, Weixiang;  Zhang, Hongliang;  Wu, Bingjie
收藏  |  浏览/下载：21/0  |  提交时间：2019/11/19
Phase stability, mechanical properties and electronic structures of Ti?Al binary compounds by first principles calculations 期刊论文
Materials Chemistry and Physics, 2019, 卷号: 221, 页码: 311-321
作者:  Jian, Yongxin;  Huang, Zhifu;  Xing, Jiandong;  Sun, Liang;  Liu, Yangzhen
收藏  |  浏览/下载：50/0  |  提交时间：2019/11/19
Atomistic understanding of helium behaviors at grain boundaries in vanadium 期刊论文
Computational Materials Science, 2019, 卷号: 158, 页码: 296-306
作者:  Yang, Yaochun;  Ding, Jianhua;  Zhang, Hualei;  Zhang, Pengbo;  Mei, Xianxiu
收藏  |  浏览/下载：16/0  |  提交时间：2019/11/19
Influence of Zr-S co-doping on the electronic structure and optical properties of anatase TiO2: first-principles GGA plus U method 期刊论文
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2019, 卷号: 125
作者:  Yan, Chao;  Zeng, Qunfeng;  Zhu, Jianing;  Cao, Qian
收藏  |  浏览/下载：1/0  |  提交时间：2019/11/19
Synergistic Effects of Mg and N Cosubstitution on Enhanced Dehydrogenation Properties of LiBH4: A First-Principles Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 页码: 1550-1558
作者:  Huang, Zhuonan;  Wang, Yuqi;  Wang, Di;  Yang, Fusheng;  Wu, Zhen
收藏  |  浏览/下载：29/0  |  提交时间：2019/11/19
Improved Transport Properties and Novel Li Diffusion Dynamics in van der Waals C2N/Graphene Heterostructure as Anode Materials for Lithium-Ion Batteries: A First-Principles Investigation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 页码: 3353-3367
作者:  Ding, Yingchun;  Xiao, Bing;  Li, Jiling;  Deng, Qijiu;  Xu, Yunhua
收藏  |  浏览/下载：11/0  |  提交时间：2019/11/19
Theoretical study of atomic relaxation, surface energy, electronic structure and properties of B2-and B19'-NiTi surfaces 期刊论文
ACTA PHYSICA SINICA, 2019, 卷号: 68
作者:  Chen Lu;  Li Ye-Fei;  Zheng Qiao-Ling;  Liu Qing-Kun;  Gao Yi-Min
收藏  |  浏览/下载：15/0  |  提交时间：2019/11/19
Low Secondary Electron Yield Materials for Space Microwave Devices Based on First Principles Computation 期刊论文
Jixie Gongcheng Xuebao/Journal of Mechanical Engineering, 2018, 卷号: 54, 页码: 115-120
作者:  Wang, Xiaojie;  Wang, Dawei;  Li, Yongdong;  Chang, Qunfeng;  Zhang, Chuxian
收藏  |  浏览/下载：8/0  |  提交时间：2019/11/19
Tuning hydrogen dissociation behavior of magnesium borohydride (100) surface by transition metal and nonmetal co-substitution 期刊论文
Materials Today Communications, 2018, 卷号: 15, 页码: 245-253
作者:  Wu, Zhen;  Zhu, Luying;  Zhang, Zaoxiao;  Yang, Fusheng;  Wang, Yuqi
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/19

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