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科研机构
西安交通大学 [33]
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期刊论文 [32]
会议论文 [1]
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2019 [3]
2018 [8]
2017 [2]
2016 [3]
2015 [4]
2014 [3]
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专题:西安交通大学
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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
收藏
  |  
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
Phase stability, mechanical properties and electronic structures of Ti?Al binary compounds by first principles calculations
期刊论文
Materials Chemistry and Physics, 2019, 卷号: 221, 页码: 311-321
作者:
Jian, Yongxin
;
Huang, Zhifu
;
Xing, Jiandong
;
Sun, Liang
;
Liu, Yangzhen
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2019/11/19
Anisotropic structure
Anisotropy indices
First-principles calculation
Formation enthalpy
Mechanical anisotropy
Planar projection
Thermodynamically stable
Three-dimensional surface
Atomistic understanding of helium behaviors at grain boundaries in vanadium
期刊论文
Computational Materials Science, 2019, 卷号: 158, 页码: 296-306
作者:
Yang, Yaochun
;
Ding, Jianhua
;
Zhang, Hualei
;
Zhang, Pengbo
;
Mei, Xianxiu
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/11/19
Compact structures
First-principles calculation
High angle grain boundaries
Interlayer bonding
Physical mechanism
Segregation energies
Strength
Theoretical tensile strengths
Toward the design of interstitial nonmetals co-doping for Mg-based hydrides as hydrogen storage material
期刊论文
Journal of Materials Research, 2018, 卷号: 33, 页码: 4080-4091
作者:
Wu, Zhen
;
Zhu, Luying
;
Yang, Fusheng
;
Nyamsi, Serge N.
;
Porpatham, Ekambaram
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/11/19
Calculation results
First-principles calculation
Influence mechanism
Mg-based hydrides
Mutual interaction
Operating condition
Strong interaction
Theoretical study
Elastic properties of AlxCrMnFeCoNi (0 <= x <= 5) high-entropy alloys from ab initio theory
期刊论文
ACTA MATERIALIA, 2018, 卷号: 155, 页码: 12-22
作者:
Zhang, Hualei
;
Sun, Xun
;
Lu, Song
;
Dong, Zhihua
;
Ding, Xiangdong
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/11/26
Brittle/ductile transition
Elastic anisotropy
First-principles calculation
Pugh criterion
High-entropy alloys
First Principles Study of Mechanical Properties and Electronic Structures of Vanadium-Doped TiC and TiN
期刊论文
Advanced Engineering Materials, 2018, 卷号: 20
作者:
Sun, Shuting
;
Liu, Yangzhen
;
Fu, Hanguang
;
Guo, Xingye
;
Ma, Shengqiang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/11/26
Calculation results
First-principles calculation
First-principles study
Formation energies
Modeling technique
Strength increase
Uniaxial tensile
Vanadium doped
Mechanical properties and chemical bonding of M2B and M2B0.75C0.25(M = Fe, Cr, W, Mo, Mn) compounds
期刊论文
Journal of Materials Research, 2018, 卷号: 33, 页码: 3665-3676
作者:
Liu, Yangzhen
;
Fu, Hanguang
;
Li, Wei
;
Xing, Jiandong
;
Li, Yefei
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/11/26
Bonding behavior
Chemical bondings
Density of state
First-principles calculation
Mulliken population analysis
Theoretical methods
First-Principles Investigations of the Structural, Anisotropic Mechanical, Thermodynamic and Electronic Properties of the AlNi2Ti Compound
期刊论文
CRYSTALS, 2018, 卷号: 8
作者:
Tang, Shuli
;
Li, Yefei
;
Gao, Yimin
;
Zheng, Qiaoling
;
Liu, Zhiwei
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/11/26
anisotropy
first-principles calculation
mechanical modulus
specific heat capacity
thermal expansion coefficient
Temperature and strain-rate dependent mechanical properties of single-layer borophene
期刊论文
Extreme Mechanics Letters, 2018, 卷号: 19, 页码: 39-45
作者:
Sha, Zhen-Dong
;
Pei, Qing-Xiang
;
Zhou, Kun
;
Dong, Zhili
;
Zhang, Yong-Wei
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/11/26
Anisotropic mechanical properties
Borophene
Deformation and failures
Design and application
First-principles calculation
Interatomic potential
Molecular dynamics simulations
Two-dimensional materials
MoTe2: A Promising Candidate for SF6 Decomposition Gas Sensors With High Sensitivity and Selectivity
期刊论文
IEEE ELECTRON DEVICE LETTERS, 2018, 卷号: 39, 页码: 292-295
作者:
Wang, Da-Wei
;
Wang, Xiao-Hua
;
Yang, Ai-Jun
;
Chu, Ji-Feng
;
Lv, Pin-Lei
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/11/26
SF6 decomposition gas
selectivity
MoTe2
first principles calculation
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