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The atomic formation mechanism of GP zones in Al-Cu alloys: Insights from cluster expansion coupled with Monte Carlo simulation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 252, 页码: 11
作者:  Fan, Weiqi;  Gong, Tongzhao;  Hao, Weiye;  Chen, Yun;  Chen, Xing-Qiu
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
GP zones  Al-cu alloys  Cluster expansion  Monte Carlo simulation  Vacancy  Magnesium  
Molecular dynamics simulation of the transformation of Fe-Co alloy by machine learning force field based on atomic cluster expansion 期刊论文
CHEMICAL PHYSICS LETTERS, 2023, 卷号: 826, 页码: 6
作者:  Li, Yongle;  Xu, Feng;  Hou, Long;  Sun, Luchao;  Su, Haijun;  Li, Xi;  Ren, Wei
收藏  |  浏览/下载：19/0  |  提交时间：2024/01/07
Molecular dynamics  Atomic cluster expansion  Fe-Co Alloy  Density functional theory  Phase transition  Force field  
A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr(3+) center in MgO crystal 期刊论文
Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2011, 卷号: 78, 期号: 2, 页码: 818-820
作者:  W. C. Zheng;  G. M. Jia;  L. He;  W. Q. Yang
Adobe PDF(135Kb)  |  收藏  |  浏览/下载：97/0  |  提交时间：2012/04/13
Electron Paramagnetic Resonance  Crystal- And ligAnd-field Theory  Thermal Effect  Mgo  Cr(3+)  Spin-hamiltonian Parameters  Debye Temperature  Thermal-expansion  Resonance  Znsif6.6h2o  Ions  Impurities  Pressure  Cluster  Solids