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The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study
期刊论文
MATERIALS, 12, 2023, 卷号: 16, 页码: 4296
作者:
Yuan, Xiaoting
;
Huang, Hai
;
Zhong, Yinghui
;
Cai, Bin
;
Liu, Zhongxia
收藏
  |  
浏览/下载:85/0
  |  
提交时间:2023/07/17
nickel-based alloys
hydrogen embrittlement
displacement cascades
hydrogen clusters
molecular dynamics
Molecular dynamics simulation of the effect of process parameters on Ni/Fe metal thermal spraying
期刊论文
Rare Metal Materials and Engineering, 2021, 卷号: 50, 期号: 6, 页码: 1896-1903
作者:
Ruicheng Feng
;
Jianyong Dong
;
Haiyan Li
;
Yun Dong
;
Chunli Lei
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  |  
浏览/下载:6/0
  |  
提交时间:2021/09/03
Cluster analysis
Melting point
Molecular dynamics
Morphology
Speed
Atomic clusters
Deposition process
Disordered atoms
Effects of temperature
Molecular dynamics simulations
Process parameters
Spraying process
Sub-surface damage
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study
期刊论文
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:
Shi, Yongpeng
;
Liu, Mingfeng
;
Wang, Jiantao
;
Ma, Hui
;
Li, Ronghan
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  |  
浏览/下载:25/0
  |  
提交时间:2021/10/15
U-Nb liquid alloys at high temperatures
Localized Nb clusters
Ab initio molecular dynamics
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study
期刊论文
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:
Shi, Yongpeng
;
Liu, Mingfeng
;
Wang, Jiantao
;
Ma, Hui
;
Li, Ronghan
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/10/15
U-Nb liquid alloys at high temperatures
Localized Nb clusters
Ab initio molecular dynamics
Uniform, Anticorrosive, and Antiabrasive Coatings on Metallic Surfaces for Cation-Metal and Cation-pi Interactions
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12, 期号: 34, 页码: 38638-38646
作者:
Liu, X
;
Sheng, SQ
;
Yang, HJ
;
He, ZL
;
Yang, YZ
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  |  
浏览/下载:11/0
  |  
提交时间:2021/09/06
SMALL IRON CLUSTERS
MOLECULAR-DYNAMICS
PITTING CORROSION
MD Simulations and first principles to evaluate the role of binary Fe?V alloys layer on the radiation resistance in the alpha-iron
期刊论文
Molecular Simulation, 2019, 卷号: 45, 页码: 178-185
作者:
Zhang, Meng
;
Ding, Xinkai
;
Peng, Weixiang
;
Zhang, Hongliang
;
Wu, Bingjie
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  |  
浏览/下载:21/0
  |  
提交时间:2019/11/19
Anti radiations
Displacement cascades
First-principles calculation
Molecular dynamics simulations
Point defect clusters
Primary knock-on atoms
Radiation resistant properties
Reliability and safeties
The effect of Mo addition on structure and glass forming ability of Ni-Zr alloys
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: Vol.775, 页码: 1184-1198
作者:
Lang, L
;
Deng, HQ
;
Tian, Z
;
Gao, F
;
Hu, WY
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  |  
浏览/下载:52/0
  |  
提交时间:2019/12/13
Metallic glass
Atomic-scale structure
Glass-forming ability
Molecular dynamics simulation
Topologically close-packed clusters
The effect of Mo addition on structure and glass forming ability of Ni-Zr alloys.
期刊论文
Journal of Alloys & Compounds, 2019, 卷号: Vol.775, 页码: 1184-1198
作者:
Lang, Lin
;
Deng, Huiqiu
;
Tian, Zean
;
Gao, Fei
;
Hu, Wangyu
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  |  
浏览/下载:52/0
  |  
提交时间:2019/12/13
Atomic-scale structure
Glass-forming ability
Metallic glass
Molecular dynamics simulation
Topologically close-packed clusters
The effect of Mo addition on structure and glass forming ability of Ni-Zr alloys
期刊论文
Journal of Alloys and Compounds, 2019, 卷号: Vol.775, 页码: 1184-1198
作者:
Lin Lang
;
Huiqiu Deng
;
Zean Tian
;
Fei Gao
;
Wangyu Hu
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  |  
浏览/下载:47/0
  |  
提交时间:2019/12/13
Metallic glass
Atomic-scale structure
Glass-forming ability
Molecular dynamics simulation
Topologically close-packed clusters
Effects of the inter- and intra-molecular hydrogen bonding interactions in forming atmospheric malonic acid-containing clusters
期刊论文
CHEMICAL PHYSICS, 2019, 卷号: 524, 页码: 14-20
作者:
Sheng, Xia
;
Song, Xue
;
Zhu, Huina
;
Ngwenya, Cleopatra Ashley
;
Zhao, Hailiang
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  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
Hydrogen bond
Molecular clusters
Red shift
AIM
DFT
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