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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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Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 231, 页码: 12
Authors:
Xie, Lu
;
Wu, Guangda
;
Liaw, Peter K.
;
Wang, Wenrui
;
Li, Dongyue
;
Peng Q(彭庆)
;
Zhang, Jie
;
Zhang, Yong
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View/Download:92/0
  |  
Submit date:2023/12/11
High-entropy alloy
Temperature gradient
Stress distribution
Cooling rate
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
Favorite
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View/Download:31/0
  |  
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)
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View/Download:60/0
  |  
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)
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View/Download:103/0
  |  
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)
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View/Download:100/0
  |  
Submit date:2023/02/20
CdTe quantum dots
First-principles calculations
Strain-dependent energy gap
Loading modes
Chemical ordering effect on the radiation resistance of a CoNiCrFeMn high-entropy alloy
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 214, 页码: 111764
Authors:
Li, Yangen
;
Du, Jun-Ping
;
Yu, Peijun
;
Li, Rui
;
Shinzato, Shuhei
;
Peng Q(彭庆)
;
Ogata, Shigenobu
Adobe PDF(15305Kb)
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View/Download:96/32
  |  
Submit date:2022/10/23
High-entropy alloy
Radiation resistance
Chemical short-range order
Defects
The mechanical property and micro-mechanism of nanoparticle-contained graphene foam materials under uniaxial tension
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 206, 页码: 8
Authors:
Khan, Muhammad Bilal
;
Wang C(王超)
;
Wang, Shuai
;
Chen, Shaohua
Adobe PDF(6146Kb)
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View/Download:139/31
  |  
Submit date:2022/07/18
Nanoparticles
Graphene foam
Uniaixal tension
Mechanical property
Micro-mechanism
Coarse-grained molecular dynamics
Aggregation of nanoparticles and their effect on mechanical properties of carbon nanotube networks
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 202, 页码: 8
Authors:
Wu, Yue
;
Wang C(王超)
;
Yang T(杨田)
Adobe PDF(12531Kb)
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View/Download:231/33
  |  
Submit date:2022/01/12
Carbon nanotube networks
Nanoparticles
Microstructure
Mechanical properties
Coarse-grained molecular dynamics
Constitutive behavior predictions of mushy zone during solidification by phase field model and coupled Eulerian-Lagrangian method
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 201, 页码: 6
Authors:
Li, Longfei
;
Zhang, Ruijie
;
Wu XQ(吴先前)
;
Gu ZP(谷周澎)
;
Wang, Changsheng
;
Jiang, Haitao
Adobe PDF(8355Kb)
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View/Download:303/67
  |  
Submit date:2021/11/01
Phase Field Model
Mushy Zone
Constitutive Behavior
Coupled Eulerian-Lagrangian
Atomistic study of shock Hugoniot in columnar nanocrystalline copper
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 8
Authors:
Hu JQ(胡剑桥)
;
Chen, Zhen
Adobe PDF(5712Kb)
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View/Download:176/33
  |  
Submit date:2021/08/30
Shock Hugoniot
Molecular dynamics
Columnar nanocrystal
Size effect
Shielding effect