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Browse/Search Results:  1-10 of 29 Help 条数/页： 5101520253035404550556065707580859095100 排序方式： SelectSubmit date AscendingSubmit date DescendingTitle AscendingTitle DescendingIssue Date AscendingIssue Date DescendingAuthor AscendingAuthor Descending Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文  OAI收割 MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14 Authors:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong   |  Favorite  |  View/Download：7/0  |  Submit date：2024/05/27 Li10GeP2S12 solid electrolyte  first-principles calculation  Ewald-summation-based electrostatic energy  machine learning- and active-learning-based LAsou method  ab initio molecular dynamics   Thermoelectric Properties of Mg3(Bi,Sb)2 under Finite Temperatures and Pressures: A First-Principles Study 期刊论文  OAI收割 NANOMATERIALS, 2024, 卷号: 14, 期号: 1, 页码: 17 Authors:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Yuan XZ(袁晓泽);  Chen, XiaoJia   |  Favorite  |  View/Download：13/0  |  Submit date：2024/02/19 thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-vSbv  MatCloud   Modulation the reaction paths of oxygen removal by electronic effects for Fe5C2(100) surfaces 期刊论文  OAI收割 APPLIED SURFACE SCIENCE, 2023, 卷号: 640, 页码: 10 Authors:  Gong, Huiyong;  Yuan, Xiaoze;  Qing, Ming;  Liu, Jinjia;  Han, Xiao   |  Favorite  |  View/Download：24/0  |  Submit date：2023/10/16 Transition metals  Electronic effects  Oxygen removal  Electronegativity  Bonding analysis   Lattice Thermal Conductivity of Mg3(Bi,Sb)2 Nanocomposites: A First-Principles Study 期刊论文  OAI收割 NANOMATERIALS, 2023, 卷号: 13, 期号: 22, 页码: 12 Authors:  Peng, Qing;  Yuan, Xiaoze;  Zhao, Shuai;  Chen, Xiao-Jia;  Zhao S(赵帅)   |  Favorite  |  View/Download：13/0  |  Submit date：2024/01/08 Mg-3(BixSb1-x)(2)  lattice thermal conductivity  first-principles calculations   Assessing Effects of van der Waals Corrections on Elasticity of Mg3Bi2-xSbx in DFT Calculations 期刊论文  OAI收割 MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15 Authors:  Peng, Qing;  Ma, Xinjie;  Yang, Xiaoyu;  Zhao, Shuai;  Yuan, Xiaoze   |  Favorite  |  View/Download：28/0  |  Submit date：2023/11/13 thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-xSbx   Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260 Authors:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Zhou, Yuwei;  Wen, Xiaodong   |  Favorite  |  View/Download：13/0  |  Submit date：2023/07/17 Crystal structure prediction  First -principles calculations  Mg-Bi-Sb alloy  Active learning strategy  Unitcell modeling   Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials 期刊论文  OAI收割 NPJ COMPUTATIONAL MATERIALS, 2023, 卷号: 9, 期号: 1, 页码: 9 Authors:  Yuan, Xiaoze;  Zhou, Yuwei;  Peng, Qing;  Yang, Yong;  Li, Yongwang   |  Favorite  |  View/Download：21/0  |  Submit date：2023/03/20 Elasticity of Mg3Bi2-xSbx 期刊论文  OAI收割 MATERIALS, 2022, 卷号: 15, 期号: 20, 页码: 12 Authors:  Peng Q(彭庆);  Zhao,Shuai;  Yuan XZ(袁晓泽);  Chen,XiaoJia   |  Favorite  |  View/Download：31/0  |  Submit date：2022/11/21 thermoelectric materials  Mg3Bi2-xSbx  elasticity  first-principle calculation   GeoROS: Georeferenced Real-time Orthophoto Stitching with Unmanned Aerial Vehicle 会议论文  OAI收割 Kyoto, Japan, Oct 23-27, 2022 Authors:  Gao GZ(高广泽);  Yuan MK(袁梦轲);  Ma ZH(马志豪);  Gu JM(谷佳铭);  Meng WL(孟维亮)   |  Favorite  |  View/Download：15/0  |  Submit date：2023/05/04 天琴计划简介 期刊论文  OAI收割 中山大学学报(自然科学版)/Acta Scientiarum Naturalium Universitatis Sunyatseni, 2021 Authors:  罗俊;  艾凌皓;  艾艳丽;  安子聪;  白伟钢   |  Favorite  |  View/Download：241/0  |  Submit date：2021/01/18 天琴计划  空间引力波探测  引力波