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浏览/检索结果:
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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:158/0
  |  
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:165/0
  |  
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