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金属研究所 [33]
上海硅酸盐研究所 [5]
力学研究所 [1]
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期刊论文 [39]
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2018 [25]
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Materials... [39]
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学科主题:Materials Science, Multidisciplinary
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Physical properties and radiation tolerance of high-entropy pyrochlores Gd-2(Ti0.25Zr0.25Sn0.25Hf0.25)(2)O-7 and individual pyrochlores Gd2X2O7 (X=Ti, Zr, Sn, Hf) from first principles calculations
期刊论文
SCRIPTA MATERIALIA, 2022, 卷号: 220, 页码: 114898
作者:
Liu, Chenguang
;
Peng Q(彭庆)
;
Shi, Tan
;
Gao, Fei
;
Li, Yuhong
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  |  
浏览/下载:14/0
  |  
提交时间:2022/10/23
First principles
High entropy pyrochlore
Radiation tolerance
Physical properties
First-principles investigations of omega variant selection during athermal beta -> omega transformation of binary Ti-xMo alloy
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 155, 页码: 524-533
作者:
Zhu, JL
;
Cao, S
;
Wang, YZ
;
Yang, R
;
Hu, QM
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浏览/下载:216/0
  |  
提交时间:2018/12/25
Titanium alloys
Phase transformation
Variant selection
First-principles calculation
Rhombohedral-Orthorhombic Ferroelectric Morphotropic Phase Boundary Associated with a Polar Vortex in BiFeO3 Films
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 11, 页码: 11098-11105
作者:
Geng, WR
;
Guo, XW
;
Zhu, YL
;
Tang, YL
;
Feng, YP
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  |  
浏览/下载:39/0
  |  
提交时间:2018/12/25
BiFeO3 ferroelectric films
vortices
morphotropic phase boundary
aberration-corrected scanning transmission electron microscopy
first-principles calculations
Revealing the local lattice strains and strengthening mechanisms of Ti alloys
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 152, 页码: 169-177
作者:
Zou, CX
;
Li, JS
;
Wang, WY
;
Zhang, Y
;
Tang, B
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  |  
浏览/下载:183/0
  |  
提交时间:2018/12/25
High-strength Ti alloy
Solid solution strengthening
Grain refinement hardening
Bonding charge density
Lattice distortion
Yield strength
Nanoindentation-induced phase transformation between SiC polymorphs
期刊论文
MATERIALS LETTERS, 2018, 卷号: 220, 页码: 152-155
作者:
Yao, TT
;
Yin, DQ
;
Saito, M
;
Wu, B
;
Chen, CL
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浏览/下载:20/0
  |  
提交时间:2018/06/05
Silicon-carbide
Polytypes
Molecules
4h
Comprehensive first-principles study of transition-metal substitution in the gamma phase of nickel-based superalloys
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2018, 卷号: 61, 页码: 41-49
作者:
Chen, WL
;
Xing, WW
;
Ma, H
;
Ding, XY
;
Chen, XQ
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  |  
浏览/下载:36/0
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提交时间:2018/12/25
Nickel-based superalloys
Fcc nickel
Substitution enthalpy
Experimental and DFT characterization of interphase boundaries in titanium and the implications for omega-assisted alpha phase precipitation
期刊论文
ACTA MATERIALIA, 2018, 卷号: 151, 页码: 406-415
作者:
Li, DD
;
Wan, WF
;
Zhu, LQ
;
Jiang, Y
;
Shao, SQ
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  |  
浏览/下载:26/0
  |  
提交时间:2018/06/05
Beta-ti Alloys
Transformations
Nucleation
Mechanism
Energy
Insight into solid-solution strengthened bulk and stacking faults properties in Ti alloys: a comprehensive first-principles study
期刊论文
JOURNAL OF MATERIALS SCIENCE, 2018, 卷号: 53, 期号: 10, 页码: 7493-7505
作者:
Wang, WY
;
Zhang, Y
;
Li, JS
;
Zou, CX
;
Tang, B
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  |  
浏览/下载:28/0
  |  
提交时间:2018/06/05
Beta-titanium Alloy
Total-energy Calculations
Close-packed Metals
Wave Basis-set
Deformation Mechanism
Electronic-structures
Phase-stability
Lattice Misfit
Alpha
Mg
Computational design and property predictions for two-dimensional nanostructures
期刊论文
MATERIALS TODAY, 2018, 卷号: 21, 期号: 4, 页码: 391-418
作者:
Xu, RZ
;
Zou, XL
;
Liu, BL
;
Cheng, HM
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  |  
浏览/下载:16/0
  |  
提交时间:2018/12/25
On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166
作者:
Zhang, LJ
;
Chen, ZY
;
Hu, QM
;
Yang, R
;
Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
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浏览/下载:44/0
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提交时间:2018/06/05
Grain-boundary Segregation
Austenitic Stainless-steel
Total-energy Calculations
Augmented-wave Method
Elastic Band Method
Alloying Elements
Self-diffusion
Impurity Diffusion
1st Principles
Saddle-points
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