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dynamics simulation
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TOTAL DOCUMENTS
20920
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Latest Documents
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Overall mechanism of JP-10 pyrolysis unraveled by large-scale reactive molecular dynamics simulation
Combustion and Flame
◽
10.1016/j.combustflame.2021.111865
◽
2022
◽
Vol 237
◽
pp. 111865
Author(s):
Han Liu
◽
Jinhu Liang
◽
Ruining He
◽
Xiaoxia Li
◽
Mo Zheng
◽
...
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Large Scale
◽
Dynamics Simulation
◽
Reactive Molecular Dynamics
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Study of dynamics and structure in sodium silicate glasses. Molecular dynamics simulation.
Journal of Non-Crystalline Solids
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10.1016/j.jnoncrysol.2022.121398
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2022
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Vol 581
◽
pp. 121398
Author(s):
L.T. San
◽
N.V. Yen
◽
N.T. Thao
◽
P.K. Hung
◽
Fumiya Noritake
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Sodium Silicate
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Silicate Glasses
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Dynamics Simulation
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Reactive force-field molecular dynamics simulation for the surface reaction of SiH (x = 2–4) species on Si(1 0 0)-(2 × 1):H surfaces in chemical vapor deposition processes
Computational Materials Science
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10.1016/j.commatsci.2022.111193
◽
2022
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Vol 204
◽
pp. 111193
Author(s):
Naoya Uene
◽
Takuya Mabuchi
◽
Masaru Zaitsu
◽
Shigeo Yasuhara
◽
Takashi Tokumasu
Keyword(s):
Molecular Dynamics
◽
Chemical Vapor Deposition
◽
Molecular Dynamics Simulation
◽
Force Field
◽
Vapor Deposition
◽
Surface Reaction
◽
Chemical Vapor
◽
Dynamics Simulation
◽
Reactive Force
◽
Deposition Processes
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Molecular dynamics simulation of vacancy and void effects on strain-induced martensitic transformations in Fe-50 at.% Ni model concentrated solid solution alloy
Scripta Materialia
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10.1016/j.scriptamat.2021.114394
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2022
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Vol 209
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pp. 114394
Author(s):
Chao Yang
◽
Yash Pachaury
◽
Anter El-Azab
◽
Janelle Wharry
Keyword(s):
Molecular Dynamics
◽
Solid Solution
◽
Molecular Dynamics Simulation
◽
Martensitic Transformations
◽
Dynamics Simulation
◽
Solid Solution Alloy
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Parallel-slipped π−π electron-donor−acceptor in adsorption process: Molecular dynamics simulation
Journal of Molecular Graphics and Modelling
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10.1016/j.jmgm.2021.108100
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2022
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Vol 111
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pp. 108100
Author(s):
Zhen Chen
◽
Wei Ma
◽
Guang Lu
◽
Jinglu Hu
◽
Zhe Zhang
◽
...
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Electron Donor
◽
Adsorption Process
◽
Dynamics Simulation
◽
Donor Acceptor
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Molecular dynamics simulation of the amorphization and alloying of a mechanically milled Fe-Cu system
Journal of Non-Crystalline Solids
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10.1016/j.jnoncrysol.2022.121410
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2022
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Vol 580
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pp. 121410
Author(s):
Junaidi Syarif
◽
Victor Gillette
◽
Hussien A. Hussien
◽
Khaled Badawy
◽
Najeh Jisrawi
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Dynamics Simulation
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Orientation dependence of microstructure deformation mechanism and tensile mechanical properties of Nickel-based single crystal superalloys: A molecular dynamics simulation
Computational Materials Science
◽
10.1016/j.commatsci.2021.111015
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2022
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Vol 202
◽
pp. 111015
Author(s):
Bin Chen
◽
Wen-Ping Wu
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Ming-Xiang Chen
Keyword(s):
Mechanical Properties
◽
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Single Crystal
◽
Deformation Mechanism
◽
Orientation Dependence
◽
Dynamics Simulation
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Molecular dynamics simulation of the interfacial evolution and whisker growth of copper-tin coating under electrothermal coupling
Computational Materials Science
◽
10.1016/j.commatsci.2021.110981
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2022
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Vol 202
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pp. 110981
Author(s):
Long Zhang
◽
Dengjie Xiong
◽
Junfeng Li
◽
Limeng Yin
◽
Zongxiang Yao
◽
...
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Whisker Growth
◽
Dynamics Simulation
◽
Tin Coating
◽
Interfacial Evolution
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Molecular dynamics simulation of deformation mechanism of CoCrNi medium entropy alloy during nanoscratching
Computational Materials Science
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10.1016/j.commatsci.2021.111085
◽
2022
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Vol 203
◽
pp. 111085
Author(s):
Wan Wang
◽
Dongpeng Hua
◽
Dawei Luo
◽
Qing Zhou
◽
Shuo Li
◽
...
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Deformation Mechanism
◽
Dynamics Simulation
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Investigation on thermal conductivity of graphene/Si heterostructure based on molecular dynamics simulation
Physics Letters A
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10.1016/j.physleta.2021.127895
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2022
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Vol 426
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pp. 127895
Author(s):
Dongjing Liu
◽
Shaoming Wang
◽
Jingjie Zhu
◽
Hao Li
◽
Haidong Zhu
Keyword(s):
Thermal Conductivity
◽
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Dynamics Simulation
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