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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  
Investigations of the electron paramagnetic resonance parameters and defect structures for Cu2+ ions in BeO crystal with trigonally distorted tetrahedral symmetry 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2019, 卷号: 475, 页码: 234-239
作者:  Fang, Wang;  Yang, Da-Xiao;  Chen, Heng-Jie;  Cheng, Wen-De;  Zheng, Wen-Chen
收藏  |  浏览/下载：131/0  |  提交时间：2021/02/02
Electron paramagnetic resonance (EPR)  BeO:Cu2+  Defect structure  Crystal - and ligand- field theory  
The ground state and low-lying excited states of CCCN radical and its ions: a CASSCF/CASPT2 study 期刊论文
CANADIAN JOURNAL OF PHYSICS, 2016, 卷号: 94, 期号: 9, 页码: 803-807
作者:  Yu, AY;  Yu, AY (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China.
收藏  |  浏览/下载：121/0  |  提交时间：2016/12/28
Cccn Radical  Ground State  Low-lying Excited States  Complete Active Space Self-consistent Field  Multi-configuration Second-order Perturbation Theory  
Unified calculations of optical and EPR data for Cu3+ ion in Al2O3 crystal 期刊论文
Journal of Magnetism and Magnetic Materials, 2015, 卷号: 377, 页码: 190-192
作者:  W. L. Feng;  W. C. Zheng;  J. Y. Xue;  F. Zhao
收藏  |  浏览/下载：137/0  |  提交时间：2015/01/14
Electron Paramagnetic Resonance  Optical Spectra  Crystal And  Ligand-field Theory  Defect Structure  Cu3++  Al2o3  Spin-hamiltonian Parameters  Atomic Screening Constants  Temperature-dependence  Scf Functions  Ruby  Ti-al2o3  Centers  Spectra  Fields  Laser  
Theoretical analysis of spin-Hamiltonian parameters for the rhombic Cu2+ centres in CuGaSe2 crystals 期刊论文
Molecular Physics, 2014, 卷号: 112, 期号: 1, 页码: 85-87
作者:  W. L. Feng;  W. C. Zheng
收藏  |  浏览/下载：157/0  |  提交时间：2014/02/19
Electron Paramagnetic Resonance  Spin-hamiltonian Parameters  Crystal-  And ligAnd-field Theory  Cu2++  Cugase2  Electron-paramagnetic-resonance  Single-crystals  Solar-cells  Vo2++  Ions  Epr  Absorption  Defects  
Calculations with the two-mechanism model for the spin-Hamiltonian parameters of Mo5+ ions in phosphate glasses 期刊论文
Journal of Non-Crystalline Solids, 2014, 卷号: 385, 页码: 160-162
作者:  W. L. Feng;  J. Y. Xue
收藏  |  浏览/下载：145/0  |  提交时间：2014/04/18
Electron Paramagnetic Resonance  Crystal- And ligAnd-field Theory  Charge-transfer Mechanism  Mo5++  Phosphate Glass  Electron-paramagnetic-resonance  Atomic Screening Constants  Temperature-dependence  Molybdenum Ions  Scf Functions  Crystals  Tungsten  Transport  Centers  System  
Effective-field and Monte Carlo studies of a kinetic Blume-Capel model 期刊论文
Physica Scripta, 2014, 卷号: 89, 期号: 7
作者:  X. L. Shi;  G. Z. Wei
收藏  |  浏览/下载：164/0  |  提交时间：2015/01/14
Kinetic Spin-1 Blume-capel Model  Effective-field Theory  Monte Carlo  Method  Dynamic Phase Transition  Dynamic Phase-transition  Oscillating Magnetic-field  Ising Systems  Triplet Ions  Hysteresis  Behavior  
Mathematical structure of the three-dimensional (3D) Ising model 期刊论文
Chinese Physics B, 2013, 卷号: 22, 期号: 3
作者:  Z. D. Zhang
收藏  |  浏览/下载：128/0  |  提交时间：2013/12/24
Ising Model  Topology  Algebra  Geometry  Recent Conjectured Solution  Star-triangle Relation  Vapor  Critical-point  Quantum-field Theory  Critical Exponents  Tetrahedron  Equation  2-dimensional Model  Integrable Models  Lattice Models  Ground-state  
A research on the g factors and defect model for the tetragonal Sm3+ center in KMgF3 crystal 期刊论文
Physica B-Condensed Matter, 2013, 卷号: 420, 页码: 1-5
作者:  P. Su;  Y. Mei;  W. C. Zheng;  H. G. Liu
收藏  |  浏览/下载：120/0  |  提交时间：2013/12/24
Electron Paramagnetic Resonance  Defect Structure  Crystal-field Theory  Kmgf3  Sm3++  Electron-paramagnetic-resonance  Thermally Stimulated Luminescence  Superposition-model  Optical Spectroscopy  Perovskite Kmgf3  Yb3++ Ions  Ce3++  Parameters  Field  Impurities  
Spin-Hamiltonian parameters for the tetragonal Gd-M(3+)-F-i(-) centers in CaF2 and SrF2 crystals 期刊论文
Journal of Magnetic Resonance, 2013, 卷号: 227, 页码: 62-65
作者:  W. Q. Yang;  Y. Zhang;  Y. Lin;  W. C. Zheng
收藏  |  浏览/下载：125/0  |  提交时间：2013/12/24
Electron Paramagnetic Resonance  Crystal And ligAnd-field Theory  Defect  Structure  Gd3++  Calcium Fluoride  Strontium Fluoride  Electron-paramagnetic-resonance  Superposition-model Analysis  Temperature-dependence  Optical Spectroscopy  Magnetic-resonance  Laser  Applications  Local-structure  Epr-spectra  Gd3++  Fluorites