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科研机构
金属研究所 [38]
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期刊论文 [38]
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2022 [1]
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Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite
期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
作者:
Zhang, Siyan
;
Liu, Mei
;
Luo, Yixiu
;
Sun, Luchao
;
Wang, Jiemin
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2022/09/16
Ab Initio molecular dynamics (AIMD)
Si-doped h-BN
Ceramic matrix composites (CMCs)
Interphase
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:26/0
  |  
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:22/0
  |  
提交时间:2021/10/15
U-Nb liquid alloys at high temperatures
Localized Nb clusters
Ab initio molecular dynamics
Atomistic Insights into Interfacial Reactions of FeCr2O4 Oxide Films in High-Temperature Water
期刊论文
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2020, 卷号: 15, 期号: 9, 页码: 8662-8673
作者:
Wang, Haitao
;
Ding, Jiawei
;
Zhang, Ruifeng
;
Han, En-Hou
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/02/02
Oxide film
High-temperature water
Interfacial reaction
Ab initio molecular dynamics
Atomistic Insights into Interfacial Reactions of FeCr2O4 Oxide Films in High-Temperature Water
期刊论文
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2020, 卷号: 15, 期号: 9, 页码: 8662-8673
作者:
Wang, Haitao
;
Ding, Jiawei
;
Zhang, Ruifeng
;
Han, En-Hou
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/02/02
Oxide film
High-temperature water
Interfacial reaction
Ab initio molecular dynamics
Evolution of local atomic structure during solidification of U116Nb12 liquid: An ab initio molecular dynamics study
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 787, 页码: 267-275
作者:
Shi, Yongpeng
;
Liu, Mingfeng
;
Chen, Yun
;
Wang, Xin
;
Mo, Wenlin
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2021/02/02
U116Nb12 alloy
Structural evolution
Solidification
Ab initio molecular dynamics
Evolution of local atomic structure during solidification of U116Nb12 liquid: An ab initio molecular dynamics study
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 787, 页码: 267-275
作者:
Shi, Yongpeng
;
Liu, Mingfeng
;
Chen, Yun
;
Wang, Xin
;
Mo, Wenlin
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/02/02
U116Nb12 alloy
Structural evolution
Solidification
Ab initio molecular dynamics
Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 501, 页码: 94-103
作者:
Wang, XX
;
Niu, LL
;
Wang, SQ
;
Wang, XX (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2018/06/05
Stacking-fault Energy
Radiation-induced Segregation
High-entropy Alloys
Ab-initio Calculations
Ni-based Alloys
Molecular-dynamics
Defect Evolution
Fcc Metals
Gamma-fe
Irradiation
Coexistent three-component and two-component Weyl phonons in TiS, ZrSe, and HfTe
期刊论文
PHYSICAL REVIEW B, 2018, 卷号: 97, 期号: 5, 页码: -
作者:
Li, JX
;
Xie, Q
;
Ullah, S
;
Li, RH
;
Ma, H
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2018/06/05
Topological Dirac Semimetal
Initio Molecular-dynamics
Augmented-wave Method
Fermi Arcs
Wannier Functions
Electron-gas
Line-nodes
Wc Type
System
Surface
Oxidative dehydrogenation reaction of short alkanes on nanostructured carbon catalysts: a computational account
期刊论文
CHEMICAL COMMUNICATIONS, 2018, 卷号: 54, 期号: 8, 页码: 864-875
作者:
Sun, XY
;
Han, P
;
Li, B
;
Mao, SJ
;
Liu, TF
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2018/06/05
h Bond Activation
Initio Molecular-dynamics
Density-functional Theory
Vanadium-oxide Catalysts
Metal-free Catalysts
Nitric-acid
Mediated Catalysis
Oxygen-adsorption
Styrene Synthesis
1st Principles
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