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科研机构
金属研究所 [12]
上海硅酸盐研究所 [3]
力学研究所 [1]
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期刊论文 [16]
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2022 [1]
2018 [12]
2017 [3]
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Materials... [16]
Metallurgy... [8]
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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
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/10/23
First principles
High entropy pyrochlore
Radiation tolerance
Physical properties
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
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
  |  
提交时间:2018/12/25
Nickel-based superalloys
Fcc nickel
Substitution enthalpy
Atomic-scale observation and analysis of chemical ordering in M3B2 and M5B3 borides
期刊论文
ACTA MATERIALIA, 2018, 卷号: 149, 页码: 274-284
作者:
Hu, XB
;
Niu, HY
;
Ma, XL
;
Oganov, AR
;
Fisher, CAJ
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  |  
浏览/下载:36/0
  |  
提交时间:2018/06/05
Crystal-structure Prediction
Total-energy Calculations
Nickel-base Superalloys
Ni-based Superalloy
X-ray Spectroscopy
Wave Basis-set
Probe Tomography
Polycrystalline Superalloy
Grain-boundary
Resolution
Spontaneous antiferromagnetic order and strain effect on electronic properties of alpha-graphyne
期刊论文
CARBON, 2018, 卷号: 131, 页码: 223-228
作者:
Dong, BJ
;
Guo, HH
;
Liu, ZY
;
Yang, T
;
Tao, P
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  |  
浏览/下载:31/0
  |  
提交时间:2018/06/05
Graphene Nanoribbons
Honeycomb Lattice
Polyacetylene
Transition
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
Energy paths of twin-related lattice reorientation in hexagonal metals via ab initio calculations
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 4, 页码: 700-707
作者:
Zhou, G
;
Ye, LH
;
Wang, H
;
Xu, DS
;
Meng, CG
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  |  
浏览/下载:23/0
  |  
提交时间:2018/06/05
Augmented-wave Method
Am30 Magnesium Alloy
Deformation
Mg
Microstructure
Compression
Evolution
Behavior
Az31b
Slip
Coexistence of rhombohedral and orthorhombic phases in ultrathin BiFeO3 films driven by interfacial oxygen octahedral coupling
期刊论文
ACTA MATERIALIA, 2018, 卷号: 145, 页码: 220-226
作者:
Han, MJ
;
Wan, YJ
;
Ma, DS
;
Zhu, YL
;
Tang, YL
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2018/06/05
Thin-films
Bismuth Ferrite
Bright Field
Unit-cell
Transition
Heterostructures
Ferroelectricity
Perovskites
Distortions
Anisotropy
Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 2, 页码: 355-364
作者:
Chen, WL
;
Ding, XY
;
Feng, YC
;
Liu, XJ
;
Liu, K
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  |  
浏览/下载:33/0
  |  
提交时间:2018/06/05
Total-energy Calculations
Solid-solution Alloys
Augmented-wave Method
Mechanical-properties
Single-phase
Multiprincipal Elements
Compressive Properties
Multicomponent Alloys
Wear-resistance
Basis-set
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