molecular dynamics simulation Recently Published Documents

Large Scale ◽

Dynamics Simulation ◽

Reactive Molecular Dynamics

Study of dynamics and structure in sodium silicate glasses. Molecular dynamics simulation.

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2022.121398 ◽

2022 ◽

Vol 581 ◽

pp. 121398

Author(s):

L.T. San ◽

N.V. Yen ◽

N.T. Thao ◽

P.K. Hung ◽

Fumiya Noritake

Keyword(s):

Molecular Dynamics ◽

Sodium Silicate ◽

Silicate Glasses ◽

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

10.1016/j.commatsci.2022.111193 ◽

2022 ◽

Vol 204 ◽

pp. 111193

Author(s):

Naoya Uene ◽

Takuya Mabuchi ◽

Masaru Zaitsu ◽

Shigeo Yasuhara ◽

Takashi Tokumasu

Keyword(s):

Molecular Dynamics ◽

Chemical Vapor Deposition ◽

Force Field ◽

Vapor Deposition ◽

Surface Reaction ◽

Chemical Vapor ◽

Dynamics Simulation ◽

Reactive Force ◽

Deposition Processes

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 ◽

10.1016/j.scriptamat.2021.114394 ◽

2022 ◽

Vol 209 ◽

pp. 114394

Author(s):

Chao Yang ◽

Yash Pachaury ◽

Anter El-Azab ◽

Janelle Wharry

Keyword(s):

Molecular Dynamics ◽

Solid Solution ◽

Martensitic Transformations ◽

Dynamics Simulation ◽

Solid Solution Alloy

Parallel-slipped π−π electron-donor−acceptor in adsorption process: Molecular dynamics simulation

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2021.108100 ◽

2022 ◽

Vol 111 ◽

pp. 108100

Author(s):

Zhen Chen ◽

Wei Ma ◽

Guang Lu ◽

Jinglu Hu ◽

Zhe Zhang ◽

...

Keyword(s):

Molecular Dynamics ◽

Electron Donor ◽

Adsorption Process ◽

Dynamics Simulation ◽

Donor Acceptor

Molecular dynamics simulation of the amorphization and alloying of a mechanically milled Fe-Cu system

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2022.121410 ◽

2022 ◽

Vol 580 ◽

pp. 121410

Author(s):

Junaidi Syarif ◽

Victor Gillette ◽

Hussien A. Hussien ◽

Khaled Badawy ◽

Najeh Jisrawi

Keyword(s):

Molecular Dynamics ◽

Orientation dependence of microstructure deformation mechanism and tensile mechanical properties of Nickel-based single crystal superalloys: A molecular dynamics simulation

10.1016/j.commatsci.2021.111015 ◽

2022 ◽

Vol 202 ◽

pp. 111015

Author(s):

Bin Chen ◽

Wen-Ping Wu ◽

Ming-Xiang Chen

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Single Crystal ◽

Deformation Mechanism ◽

Orientation Dependence ◽

Molecular dynamics simulation of the interfacial evolution and whisker growth of copper-tin coating under electrothermal coupling

10.1016/j.commatsci.2021.110981 ◽

2022 ◽

Vol 202 ◽

pp. 110981

Author(s):

Long Zhang ◽

Dengjie Xiong ◽

Junfeng Li ◽

Limeng Yin ◽

Zongxiang Yao ◽

...

Keyword(s):

Molecular Dynamics ◽

Whisker Growth ◽

Dynamics Simulation ◽

Tin Coating ◽

Interfacial Evolution

Molecular dynamics simulation of deformation mechanism of CoCrNi medium entropy alloy during nanoscratching

10.1016/j.commatsci.2021.111085 ◽

2022 ◽

Vol 203 ◽

pp. 111085

Author(s):

Wan Wang ◽

Dongpeng Hua ◽

Dawei Luo ◽

Qing Zhou ◽

Shuo Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Deformation Mechanism ◽

Investigation on thermal conductivity of graphene/Si heterostructure based on molecular dynamics simulation

Physics Letters A ◽

10.1016/j.physleta.2021.127895 ◽

2022 ◽

Vol 426 ◽

pp. 127895

Author(s):

Dongjing Liu ◽

Shaoming Wang ◽

Jingjie Zhu ◽

Hao Li ◽

Haidong Zhu

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽