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金属研究所 [6]

兰州理工大学 [5]

宁波材料技术与工程研... [5]

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	Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 12 作者: Wang, Haiyan; Gao, Xueyun; Chen, Shuming; Li, Yiming; Wu, Zhongwang 收藏 \| 浏览/下载：25/0 \| 提交时间：2021/02/02 Cu precipitate Aging experiment Mixing energy Interatomic potential Molecular dynamics
	Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 12 作者: Wang, Haiyan; Gao, Xueyun; Chen, Shuming; Li, Yiming; Wu, Zhongwang 收藏 \| 浏览/下载：26/0 \| 提交时间：2021/02/02 Cu precipitate Aging experiment Mixing energy Interatomic potential Molecular dynamics
	Tests on the Accuracy and Scalability of the Full-Potential DFT Method Based on Multiple Scattering Theory 期刊论文 FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 590047 作者: Cao PY(曹沛宇); Fang J; Gao XY; Tian FY; Song HF 收藏 \| 浏览/下载：22/0 \| 提交时间：2021/02/09 first principles Korringa-Kohn-Rostoker (KKR) multiple scattering theory (MST) full potential elastic constants
	Dimer rattling mode induced low thermal conductivity in an excellent acoustic conductor 期刊论文 NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: 8 作者: Qi, Ji; Dong, Baojuan; Zhang, Zhe; Zhang, Zhao; Chen, Yanna 收藏 \| 浏览/下载：33/0 \| 提交时间：2021/02/02
	Dimer rattling mode induced low thermal conductivity in an excellent acoustic conductor 期刊论文 NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: 8 作者: Qi, Ji; Dong, Baojuan; Zhang, Zhe; Zhang, Zhao; Chen, Yanna 收藏 \| 浏览/下载：31/0 \| 提交时间：2021/02/02
	Novel atomic-scale mechanism of incipient plasticity in a chemically complex CrCoNi medium-entropy alloy associated with inhomogeneity in local chemical environment 期刊论文 ACTA MATERIALIA, 2020, 卷号: 194, 页码: 283-294 作者: Cao FH(曹富华); Wang YJ(王云江); Dai LH(戴兰宏) 收藏 \| 浏览/下载：74/0 \| 提交时间：2020/08/26 Dislocation nucleation Medium-entropy alloy Local chemical order Molecular dynamics Density functional theory
	Effect of Co-Doping on the Stability of γ'-Ni3Al: A First-Principles Study 期刊论文 Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753 作者: Li, Yamin; Chen, Yinping; Liu, Hongjun 收藏 \| 浏览/下载：17/0 \| 提交时间：2020/12/18 Atoms Charge transfer Chemical bonds Density functional theory Electronic density of states Electrons Fermi level Heat treatment Nickel compounds Stability Bonding characteristics Bonding electrons Density difference First-principles density functional theory First-principles study Formation enthalpy Orbital hybridization Plane-wave pseudopotential method
	Effect of Co-Doping on the Stability of gamma '-Ni3Al: A First-Principles Study 期刊论文 RARE METAL MATERIALS AND ENGINEERING, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753 作者: Li Yamin; Chen Yinping; Liu Hongjun 收藏 \| 浏览/下载：12/0 \| 提交时间：2022/03/01 first-principles gamma ' phase electronic structure stability
	Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe2-CuAlSe2pseudobinary alloys 期刊论文 Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 26, 页码: 14694-14703 作者: Xue, Hong-Tao; Yu, Xu-Dong; Aarons, Jolyon; Tang, Fu-Ling; Lu, Xue-Feng 收藏 \| 浏览/下载：3/0 \| 提交时间：2020/11/14 Atoms Binary alloys Calculations Copper alloys Indium Indium alloys Monte Carlo methods Solar energy Boltzmann function Cluster morphology First-principles calculation Formation energies Homogeneous phase Phase segregations Temperature increase Temperature range
	Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe2-CuAlSe2pseudobinary alloys 期刊论文 Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 26, 页码: 14694-14703 作者: Xue, Hong-Tao; Yu, Xu-Dong; Aarons, Jolyon; Tang, Fu-Ling; Lu, Xue-Feng 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/02/17 Atoms Binary alloys Calculations Copper alloys Indium Indium alloys Monte Carlo methods Solar energy Boltzmann function Cluster morphology First-principles calculation Formation energies Homogeneous phase Phase segregations Temperature increase Temperature range

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