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中国科学院力学研究所机构知识库
Knowledge Management System of Institue of Mechanics, CAS
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Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260
Authors:
Peng Q(彭庆)
;
Yuan XZ(袁晓泽)
;
Zhao S(赵帅)
;
Zhou, Yuwei
;
Wen, Xiaodong
;
Chen, Xiaojia
Adobe PDF(3656Kb)
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View/Download:38/2
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Submit date:2023/07/17
Crystal structure prediction
First -principles calculations
Mg-Bi-Sb alloy
Active learning strategy
Unitcell modeling
Effects of oxidizers on the ignition and combustion characteristics of aluminum nanoparticles
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 223, 页码: 112116
Authors:
Zhou, Yintao
;
Shi, Baolu
;
Chu, Qingzhao
;
Liao LJ(廖丽涓)
Adobe PDF(8464Kb)
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View/Download:96/5
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Submit date:2023/04/20
Aluminum nanoparticles
Oxidizer atmospheres
Ignition and combustion
Energy release
Reactive molecular dynamic simulation
Emergent failure transition of pearlitic steel at extremely high strain rates
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 219, 页码: 13
Authors:
Liang LW(梁伦伟)
;
Dai SC(戴仕诚)
;
Chen Y(陈艳)
;
Wang HY(汪海英)
;
Wang YJ(王云江)
;
Dai LH(戴兰宏)
Adobe PDF(20162Kb)
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View/Download:112/1
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Submit date:2023/03/20
Pearlitic steels
Fracture
Crack
Dislocation nucleation
Molecular dynamics
The effect of loading modes on the strain-dependent energy gap of CdTe quantum dots: A first-principles study
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 217, 页码: 7
Authors:
Wang JD(王俊刁)
;
Shi RH(史荣豪)
;
Xiao P(肖攀)
Adobe PDF(4283Kb)
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View/Download:135/7
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Submit date:2023/02/20
CdTe quantum dots
First-principles calculations
Strain-dependent energy gap
Loading modes