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Layer-by-layer phase transformation in Ti3O5 revealed by machine-learning molecular dynamics simulations 期刊论文
NATURE COMMUNICATIONS, 2024, 卷号: 15, 期号: 1, 页码: 10
作者:  Liu, Mingfeng;  Wang, Jiantao;  Hu, Junwei;  Liu, Peitao;  Niu, Haiyang;  Yan, Xuexi;  Li, Jiangxu;  Yan, Haile;  Yang, Bo;  Sun, Yan;  Chen, Chunlin;  Kresse, Georg;  Zuo, Liang;  Chen, Xing-Qiu
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Hardness and fracture toughness models by symbolic regression 期刊论文
EUROPEAN PHYSICAL JOURNAL PLUS, 2023, 卷号: 138, 期号: 7, 页码: 19
作者:  Zhao, Jinbin;  Liu, Peitao;  Wang, Jiantao;  Li, Jiangxu;  Niu, Haiyang;  Sun, Yan;  Li, Junlin;  Chen, Xing-Qiu
收藏  |  浏览/下载：9/0  |  提交时间：2024/01/08
Parent structures of near-ambient nitrogen-doped lutetium hydride superconductor 期刊论文
PHYSICAL REVIEW B, 2023, 卷号: 108, 期号: 2, 页码: 5
作者:  Liu, Mingfeng;  Liu, Xiangyang;  Li, Jiangxu;  Liu, Jiaxi;  Sun, Yan;  Chen, Xing-Qiu;  Liu, Peitao
收藏  |  浏览/下载：6/0  |  提交时间：2024/01/08
Ab initio Molecular Dynamics Study of Local Atomic Structure Evolution of U-Zr Alloy Melts upon Solidification 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2023, 页码: 10
作者:  Liu, Mingfeng;  Wang, Jiantao;  Shi, Yongpeng;  Zhu, Heyu;  Sun, Yan;  Liu, Peitao;  Chen, Xing-Qiu
收藏  |  浏览/下载：8/0  |  提交时间：2024/01/07
Local atomic structure  Molecular dynamics  Solidification  U-Zr alloy melts  
Segregation of Re at the gamma/gamma' boundary of Ni-based single crystal superalloys revealed by first-principles calculations based Monte-Carlo simulations 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 143, 页码: 54-61
作者:  Zhu, Heyu;  Wang, Jiantao;  Wang, Lei;  Shi, Yongpeng;  Liu, Mingfeng;  Li, Jiangxu;  Chen, Yun;  Ma, Yingche;  Liu, Peitao;  Chen, Xing-Qiu
收藏  |  浏览/下载：74/0  |  提交时间：2023/05/09
Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111) 期刊论文
PHYSICAL REVIEW LETTERS, 2023, 卷号: 130, 期号: 130, 页码: 6
作者:  Liu, Peitao;  Wang, Jiantao;  Avargues, Noah;  Verdi, Carla;  Singraber, Andreas;  Karsai, Ferenc;  Chen, Xing-Qiu;  Kresse, Georg
收藏  |  浏览/下载：10/0  |  提交时间：2024/01/07
Two-dimensional obstructed atomic insulators with fractional corner charge in the MA2Z4 family 期刊论文
PHYSICAL REVIEW B, 2022, 卷号: 106, 期号: 15, 页码: 6
作者:  Wang, Lei;  Jiang, Yi;  Liu, Jiaxi;  Zhang, Shuai;  Li, Jiangxu;  Liu, Peitao;  Sun, Yan;  Weng, Hongming;  Chen, Xing-Qiu
收藏  |  浏览/下载：40/0  |  提交时间：2023/05/09
Two-dimensional obstructed atomic insulators with fractional corner charge in the MA2Z4 family 期刊论文
PHYSICAL REVIEW B, 2022, 卷号: 106, 期号: 15, 页码: 6
作者:  Wang, Lei;  Jiang, Yi;  Liu, Jiaxi;  Zhang, Shuai;  Li, Jiangxu;  Liu, Peitao;  Sun, Yan;  Weng, Hongming;  Chen, Xing-Qiu
收藏  |  浏览/下载：59/0  |  提交时间：2023/05/09
Two-dimensional layered MSi2N4 (M = Mo, W) as promising thermal management materials: a comparative study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 页码: 8
作者:  Shen, Chen;  Wang, Lei;  Wei, Donghai;  Zhang, Yixuan;  Qin, Guangzhao;  Chen, Xing-Qiu;  Zhang, Hongbin
收藏  |  浏览/下载：93/0  |  提交时间：2022/07/01
The mechanism of theta- to alpha-Al2O3 phase transformation 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 863, 页码: 5
作者:  Huang, Yuanchao;  Peng, Xiao;  Chen, Xing-Qiu
收藏  |  浏览/下载：143/0  |  提交时间：2021/10/15
Aluminum oxide  Density functional theory  Synchro-shear phase transformation model  Alumina  Phase transformation  First-principles calculations