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西安交通大学 [13]
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大连理工大学 [4]
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期刊论文 [63]
会议论文 [2]
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2018 [65]
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Deformation mechanisms in nanotwinned γ-TiAl by molecular dynamics simulation
期刊论文
Molecular Simulation, 2018, 卷号: 44, 期号: 18, 页码: 1489-1500
作者:
Hui, Cao
;
Zhiyuan, Rui
;
Wenke, Chen
;
Ruicheng, Feng
;
Changfeng, Yan
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/11/14
Cracks
Dislocations (crystals)
Fracture toughness
Piles
Plastic deformation
Reaction kinetics
Textures
Deformation mechanism
Dislocation densities
Dislocation emissions
Interaction of cracks
Molecular dynamics simulations
Nanotwinned
Plastic deformation mechanisms
Twin boundaries
Ethylene glycol solution-induced DNA conformational transitions
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27
作者:
Zhang, Nan
;
Li, Ming-Ru
;
Zhang, Feng-Shou
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/03/27
DNA conformational transitions
ethylene glycol
molecular dynamics simulations
The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 269, 页码: 298-303
作者:
Liu, Guokui
;
Feng, Jin
;
Wang, Honglei
;
Gao, Fengfeng
;
Wei, Yaoyao
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2018/12/21
Molecular dynamics
Metadynamics simulations
Cloud point
Tetrabutylammonium dodecyl sulfate
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:
Li, Yaping
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Penghua
;
Li, Yingying
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/11/12
Checkpoint kinase 1 inhibitor
Virtual screening
Pharmacophore modeling
Molecular docking
Molecular dynamics simulations
Effects of annealing on the residual stress in γ -TiAl alloy by molecular dynamics simulation
期刊论文
Materials, 2018, 卷号: 11, 期号: 6
作者:
Feng, Ruicheng
;
Song, Wenyuan
;
Li, Haiyan
;
Qi, Yongnian
;
Qiao, Haiyang
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/11/14
Annealing
Grain boundaries
Point defects
Residual stresses
Shrinkage
Titanium alloys
Annealing process
Annealing temperatures
Average grain size
Change of temperatures
Defect concentrations
Distribution of residual stress
Molecular dynamics simulations
TiAl alloy
Atomistic simulation of tension-compression asymmetry and its mechanism in titanium single-crystal nanopillars oriented along the [112¯0] direction
期刊论文
Computational Materials Science, 2018, 卷号: 147, 页码: 272-281
作者:
Ren, Junqiang
;
Sun, Qiaoyan
;
Xiao, Lin
;
Sun, Jun
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2020/11/14
Dislocations (crystals)
Friction
Molecular dynamics
Plastic deformation
Single crystals
Stacking faults
Titanium
Twinning
Yield stress
Atomistic simulations
Compression asymmetry
Elastic deformation stage
Intrinsic stacking fault
Molecular dynamics simulations
Non-linear elastic behavior
Plastic deformation mechanisms
Tension-compression asymmetry
Atomistic simulation of tension-compression asymmetry and its mechanism in titanium single-crystal nanopillars oriented along the [112¯0] direction
期刊论文
Computational Materials Science, 2018, 卷号: 147, 页码: 272-281
作者:
Ren, Junqiang
;
Sun, Qiaoyan
;
Xiao, Lin
;
Sun, Jun
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2022/02/17
Dislocations (crystals)
Friction
Molecular dynamics
Plastic deformation
Single crystals
Stacking faults
Titanium
Twinning
Yield stress
Atomistic simulations
Compression asymmetry
Elastic deformation stage
Intrinsic stacking fault
Molecular dynamics simulations
Non-linear elastic behavior
Plastic deformation mechanisms
Tension-compression asymmetry
Anti-estrogenic activity of tris(2,3-dibromopropyl) isocyanurate through disruption of co-activator recruitment: experimental and computational studies
期刊论文
ARCHIVES OF TOXICOLOGY, 2018, 卷号: 92, 期号: 4, 页码: 1471-1482
作者:
Cao, Huiming
;
Li, Xun
;
Zhang, Wenjuan
;
Wang, Ling
;
Pan, Yu
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/06/20
Tris(2,3-dibromopropyl) isocyanurate
MVLN assays
AF-2 site
Molecular dynamics simulations
Anti-estrogenic activity of tris(2,3-dibromopropyl) isocyanurate through disruption of co-activator recruitment: experimental and computational studies
期刊论文
ARCHIVES OF TOXICOLOGY, 2018, 卷号: 92, 期号: 4, 页码: 1471-1482
作者:
Liang, Yong
;
Cao, Huiming
;
Li, Xun
;
Zhang, Wenjuan
;
Wang, Ling
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2018/12/29
Tris(2,3-dibromopropyl) isocyanurate
MVLN assays
AF-2 site
Molecular dynamics simulations
Strengthening mechanisms of graphene coated copper under nanoindentation
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 144, 页码: 42-49
作者:
Zhao, YB
;
Peng, XH
;
Fu, T
;
Zhu, XF
;
Hu, N
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2018/06/05
Molecular-dynamics Simulation
Monolayer Graphene
Deformation Twins
Nanolayered Composites
Atomistic Simulations
Plastic-deformation
Multilayers
Metals
Films
Nanocomposites
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