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科研机构
金属研究所 [55]
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期刊论文 [54]
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2022 [2]
2021 [6]
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Dissociation of Tilt Dislocation Walls in Au
期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2022, 页码: 6
作者:
Geng, Yu-Juan
;
Wang, Chun-Yang
;
Yan, Jing-Xin
;
Zhang, Zhen-Jun
;
Yang, Hua-Jie
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/07/14
Dislocation
Tilt wall
Stacking fault
Dissociation
Grain boundary
An experimentally-based molecular dynamics analysis of grain boundary migration during recrystallization in aluminum
期刊论文
SCRIPTA MATERIALIA, 2022, 卷号: 211, 页码: 5
作者:
Li, Runguang
;
Homer, Eric R.
;
Hong, Chuanshi
;
Zhang, Yubin
;
Jensen, Dorte Juul
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  |  
浏览/下载:16/0
  |  
提交时间:2022/07/14
Recrystallization
Grain boundary mobility
Molecular dynamics
Formation of Stable Schwarz Crystals in Polycrystalline Copper at the Grain Size Limit
期刊论文
PHYSICAL REVIEW LETTERS, 2021, 卷号: 127, 期号: 13, 页码: 7
作者:
Jin, Zhaohui
;
Li, Xiuyan
;
Lu, K.
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  |  
浏览/下载:5/0
  |  
提交时间:2021/11/22
Atomistic Insights into the Anisotropic and Low Thermal Conductivity in Neopentyl Glycol Crystals: A Molecular Dynamics Study
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125, 期号: 29, 页码: 15853-15862
作者:
Wang, Simin
;
Sun, Liang
;
Li, Bing
;
Dai, Liang
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  |  
浏览/下载:19/0
  |  
提交时间:2021/10/15
Identification of critical nuclei in the rapid solidification via configuration heredity
期刊论文
Journal of Physics: Condensed Matter, 2021, 卷号: 33, 期号: 17
作者:
Li,Yuan
;
Peng,Ping
;
Xu,Dongsheng
;
Yang,Rui
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  |  
浏览/下载:41/0
  |  
提交时间:2021/10/15
critical nucleus
configuration heredity
rapid solidification
homogeneous nucleation
Dislocation self-interaction in TiAl: Evolution of super-dislocation dipoles revealed by atomistic simulations
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 69, 页码: 138-147
作者:
Zhen, Z.
;
Wang, H.
;
Teng, C. Y.
;
Bai, C. G.
;
Xu, D. S.
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  |  
浏览/下载:30/0
  |  
提交时间:2021/10/15
TiAl
Dislocation
Dipole
Mechanical property
Atomistic simulation
Effects of surface modification of Nano-SiO2 imbedded in organic matrix on interfacial accumulation of water molecules: an atomistic simulation study
期刊论文
SURFACES AND INTERFACES, 2021, 卷号: 23, 页码: 13
作者:
Soleymanibrojeni, Mohammad
;
Shi, Hongwei
;
Liu, Fuchun
;
Han, En-Hou
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/10/15
Silica nanoparticles
Silane treatment
Epoxy matrix
Water at interface
Water clusters
Organic phase free volume
Physically inspired atom-centered symmetry functions for the construction of high dimensional neural network potential energy surfaces
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 186, 页码: 7
作者:
Zhang, Kangyu
;
Yin, Lichang
;
Liu, Gang
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  |  
浏览/下载:40/0
  |  
提交时间:2021/03/15
Machine learning
Potential energy surface
Atom centered symmetry function
Solid electrolyte
Molecular dynamics simulation
The importance of H-2 in the controlled growth of semiconducting single-wall carbon nanotubes
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 54, 页码: 105-111
作者:
Zhang, Feng
;
Sun, Jia
;
Zheng, Yonggang
;
Hou, Peng-Xiang
;
Liu, Chang
收藏
  |  
浏览/下载:151/0
  |  
提交时间:2021/02/02
Single-wall carbon nanotubes
Controlled growth
Semiconducting
Growth mode
H-2
Water in confinement of epoxy layer and hydroxylated (001) gamma-alumina: An atomistic simulation view
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 307, 页码: 10
作者:
Soleymanibrojeni, Mohammad
;
Shi, Hongwei
;
Liu, Fuchun
;
Han, En-Hou
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/02/02
Water at interface
Subdiffusion behavior
Power spectra
RDF
SDF
Hydrogen bond energy
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