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期刊
- 作者： Xiao-Feng Wang，Jin-Wen Yang，Jing-Jing Zheng （ 1Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China;2Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China ）
- 出处： 3486 2023 P112128
- 摘要： Crystal structure, electronic structure, elastic anisotropy, and phonon of P6/mmc-MgCe and I4/m-MgCe have been thoroughly studied by employing density
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期刊
- 作者： Xiao-Feng Wang，Jin-Wen Yang，Jing-Jing Zheng （ 1 Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China; 2 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China ）
- 出处： 110 2022 Vol.342 P114641
- 摘要： A systematic study of the structure, mechanical properties, lattice dynamics and thermo-physical properties of C15-Laves phase Mg 2 Ce is performed th
期刊
- 作者： Xiao-Feng Wang，Jin-Wen Yang （ 1 Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China; 2 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China ）
- 出处： 3486 2022 Vol.199 P110968
- 关键词： Mg-Er Phonon stability Thermodynamics Ab initio
- 摘要： We report the results of a first principles study of electronic structure, elastic properties, ideal strengths, phonon stability and thermodynamic pro
期刊
- 作者： Wang, Xiao-Feng，Yang, Jin-Wen （ 1Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China 2Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China ）
- 出处： 3486 2022 Vol.199
- 关键词： Ab initio Mg-Er Phonon stability Thermodynamics
- 摘要： We report the results of a first principles study of electronic structure, elastic properties, ideal strengths, phonon stability and thermodynamic pro
期刊
- 作者： Jin-Wen Yang，Xiao-Feng Wang （ 1Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China;2Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China ）
- 出处： 3486 2022 P111755
- 摘要： We performed first-principles investigations on ternary magnesium alloy MgZnCe at high pressure to explore the pressure effect on the crystal structur
- 作者： An, Li，Yang, Jin-Wen （ 1 Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China 2 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China ）
- 出处： 110 2021 Vol.332
- 关键词： First-principles calculations High pressure Lattice dynamical stability Stress-strain relationship
- 摘要： A detailed study of the ground state structure, non-zero elastic constants, high pressure lattice dynamics as well as theoretical tensile and shear st
- 作者： Yang, Jin-Wen，An, Li，Zheng, Jing-Jing （ 1 Department of Physics, Taiyuan Normal University, Jinzhong 030619, China 2 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong 030619, China ）
- 出处： 923 2021 Vol.556
- 关键词： Ab Initio Mechanical Properties Phonon Shear Tension Th-Sn System
- 摘要： The elastic properties and elastic anisotropy of the Th-Sn system have been investigated. • The ideal tensile and shear strengths have been predicted.
- 作者： Li An，Jin-Wen Yang （ 1 Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China; 2 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China ）
- 出处： 110 2021 P114319
- 关键词： High pressure Lattice dynamical stability Stress-strain relationship First-principles calculations
- 摘要： A detailed study of the ground state structure, non-zero elastic constants, high pressure lattice dynamics as well as theoretical tensile and shear st
- 作者： Li An，Jin-Wen Yang （ 1 Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China; 2 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China ）
- 出处： 110 2021 Vol.332 P114319
- 关键词： High pressure Lattice dynamical stability Stress-strain relationship First-principles calculations
- 摘要： A detailed study of the ground state structure, non-zero elastic constants, high pressure lattice dynamics as well as theoretical tensile and shear st
- 作者： Jin-Wen Yang，Li An，Jing-Jing Zheng （ 1 Department of Physics, Taiyuan Normal University, Jinzhong 030619, China; 2 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong 030619, China ）
- 出处： 923 2021 P153187
- 关键词： Th-Sn System Mechanical Properties Tension Shear Phonon Ab Initio
- 摘要： The first-principles projector augmented-wave method within the framework of density functional theory is applied to study the equilibrium lattice p