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科研机构
大连理工大学 [51]
内容类型
期刊论文 [49]
会议论文 [2]
发表日期
2019 [51]
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共51条,第1-10条
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发表日期:2019
专题:大连理工大学
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Chlorine Passivation of Grain Boundary Suppresses Electron-Hole Recombination in CsPbBr3 Perovskite by Nonadiabatic Molecular Dynamics Simulation
期刊论文
ACS Applied Energy Materials, 2019, 卷号: 2, 页码: 3419-3426
作者:
Wang, Y.
;
He, J.
;
Yang, Y.
;
Zhang, Z.
;
Long, R.
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/02
Molecular dynamic simulation of rapid boiling of nanofluids on different wetting surfaces with depositional nanoparticles
期刊论文
INTERNATIONAL JOURNAL OF MULTIPHASE FLOW, 2019, 卷号: 115, 页码: 9-18
作者:
Yin, Xunyan
;
Hu, Chengzhi
;
Bai, Minli
;
Lv, Jizu
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/02
Rapid boiling
Depositional nanoparticle
Surface wettability
Molecular dynamics
Investigation of the mechanical responses of copper nanowires based on molecular dynamics and coarse-grained molecular dynamics
期刊论文
COMPUTATIONAL PARTICLE MECHANICS, 2019, 卷号: 6, 页码: 177-190
作者:
Su, Yu-Chen
;
Jiang, Shan
;
Gan, Yong
;
Chen, Zhen
;
Lu, Jian-Ming
收藏
  |  
浏览/下载:106/0
  |  
提交时间:2019/12/02
Mesoscale model
Molecular dynamics
Tension
Torsion
Metal nanowire
Thermal effect
Interface thermal conductance in silicene and stanene monolayer: A molecular dynamics study
期刊论文
SUPERLATTICES AND MICROSTRUCTURES, 2019, 卷号: 130, 页码: 258-266
作者:
Wu, Jiaxin
;
Wen, Hao
;
Shi, Hongzhen
;
Chen, Changpeng
;
Huang, Bin
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/02
Thermal conductance
Silicene
Stanene
Molecular dynamics
Insight into the Highly Conserved and Differentiated Co-factor Binding Sites of meso-Diaminopimelate Dehydrogenase StDAPDH
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 页码: 2331-2338
作者:
Gao, Xiuzhen
;
Ma, Qinyuan
;
Chen, Meiling
;
Dong, Miaomiao
;
Pu, Zhongji
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2019/12/02
Amination
Amines
Amino acids
Catalysis
Molecular dynamics, Amino acid residues
Catalytic functions
Catalytic mechanisms
Enzyme engineering
Molecular dynamics simulations
One step synthesis
Reductive amination
Symbiobacterium thermophilum, Binding sites
Study on the singular stress field at the interface end of ZChSnSb/FeSn2/steel composites
期刊论文
TRIBOLOGY INTERNATIONAL, 2019, 卷号: 136, 页码: 240-249
作者:
Meng, Fanning
;
Wang, Jianmei
;
Zhang, Xiaotian
;
Hou, Dingbang
;
Li, Zhixiong
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/02
Composite materials
Singular stress field
Interface end
Molecular dynamics simulation
Ultrahigh Recovery of Fracture Strength on Mismatched Fractured Amorphous Surfaces of Silicon Carbide
期刊论文
ACS NANO, 2019, 卷号: 13, 页码: 7483-7492
作者:
Cui, Junfeng
;
Zhang, Zhenyu
;
Jiang, Haiyue
;
Liu, Dongdong
;
Zou, Li
收藏
  |  
浏览/下载:129/0
  |  
提交时间:2019/12/02
fracture strength
in situ TEM
nanomechanical test
molecular dynamics
SiC
S100A4: a novel partner for heat shock protein 47 in antler stem cells and insight into the calcium ion-induced conformational changes
期刊论文
Journal of biomolecular structure & dynamics, 2019, 页码: 1-12
作者:
Shang Yudong
;
Zhang Zhengyao
;
Ba Hengxing
;
Wang Datao
;
Qi Xiaoyan
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/12/02
HSP47,S100A4,antler stem cell,molecular dynamics,protein-protein docking
Structural origins for the generation of strength, ductility and toughness in bulk-metallic glasses using hydrogen microalloying
期刊论文
ACTA MATERIALIA, 2019, 卷号: 171, 页码: 216-230
作者:
Luo, L. S.
;
Wang, B. B.
;
Dong, F. Y.
;
Su, Y. Q.
;
Guo, E. Y.
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2019/12/02
Amorphous alloys
Dynamic mechanical analysis
Molecular dynamics
Mechanical properties
Atomic structure
Insights into the atomistic behavior in diamond chemical mechanical polishing with center dot OH environment using ReaxFF molecular dynamics simulation
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 166, 页码: 136-142
作者:
Shi, Zhuoying
;
Jin, Zhuji
;
Guo, Xiaoguang
;
Yuan, Song
;
Guo, Jiang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/02
Diamond
Chemical mechanical polishing
Removal mechanism
Molecular dynamics simulation
ReaxFF
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