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Finite-temperature H behaviors in tungsten and molybdenum: first-principles total energy and vibration spectrum calculations 期刊论文
NUCLEAR FUSION, 2017, 卷号: 57, 期号: 12
作者:  Liu, Yue-Lin;  Ding, Fang;  Luo, G. -N.;  Chen, Chang-An
收藏  |  浏览/下载:20/0  |  提交时间:2018/08/16
Temperature-dependent dissolution and diffusion of H isotopes in iron for nuclear energy applications: First-principles and vibration spectrum predictions 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2017, 卷号: 42, 期号: 16, 页码: 11560-11573
作者:  Chen, Qingyuan;  Yao, Qinglong;  Liu, Yue-Lin;  Han, Quan-Fu;  Ding, Fang
收藏  |  浏览/下载:21/0  |  提交时间:2018/06/04
Anomalous low-temperature heat capacity in antiperovskite compounds 期刊论文
CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 2, 页码: 1-5
作者:  Guo, Xin-Ge;  Lin, Jian-Chao;  Tong, Peng;  Lin, Shuai;  Yang, Cheng
收藏  |  浏览/下载:12/0  |  提交时间:2018/05/25
Enhanced thermoelectric performance of Se-doped PbTe bulk materials via nanostructuring and multi-scale hierarchical architecture 期刊论文
Journal of Alloys and Compounds, 2017, 卷号: 725, 页码: 563-572
作者:  Zhang, Kunmin;  Zhang, Qihao;  Wang, Lianjun;  Jiang, Wan;  Chen, Lidong
收藏  |  浏览/下载:21/0  |  提交时间:2018/12/29
Phonon spectrum, IR and Raman modes, thermal expansion tensor and thermal physical properties of M2TiAlC2 (M = Cr, Mo, W) 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 134, 页码: 67-83
作者:  Li, Y. F.;  Xiao, B.;  Sun, L.;  Wang, X. Z.;  Gao, Y. M.
收藏  |  浏览/下载:4/0  |  提交时间:2019/11/26
Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods 期刊论文
PHYSICAL REVIEW LETTERS, 2017, 卷号: 118, 期号: 24, 页码: -
作者:  Yang, XG;  Yao, MG;  Wu, XY;  Liu, SJ;  Chen, SL
收藏  |  浏览/下载:17/0  |  提交时间:2018/08/30
Phonon spectrum and thermodynamic properties of LaCoO3 based on first-principles theory 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 136, 页码: 191-197
作者:  Wang, Xiao;  Han, Ye;  Song, Xiaojie;  Liu, Weihui;  Cui, Hongzhi
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/11
Phonon spectrum and thermodynamic properties of LaCoO3based on first-principles theory 期刊论文
Computational Materials Science, 2017, 卷号: 136, 页码: 191-197
作者:  Wang, Xiao;  Han, Ye;  Song, Xiaojie;  Liu, Weihui;  Cui, Hongzhi
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/11


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