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浏览/检索结果: 共8条，第1-8条 帮助 限定条件 发表日期：2017     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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 Tungsten And Molybdenum  Hydrogen Formation And Solubility  Temperature Effect  First-principles Calculations   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 Iron  Hydrogen Dissolution And Diffusion  Temperature And h Chemical Potential  First-principles  Vibration Spectrum Calculations   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 Low-temperature Heat Capacity  Low-energy Phonon Modes  Antiperovskite Compound  Negative Thermal Expansion   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 Quaternary MAX phase  IR and Raman modes  Phonon spectrum  Thermal expansion   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 Augmented-wave Method  Molecular-mechanics  Encapsulated C-60  Crystal-structure  Building-blocks  High-pressure  Nanotubes  Graphite  Dynamics  Diamond   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 LaCoO3  Phonon spectrum  Thermodynamic properties  Density functional  theory   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