Development of efficient size-dependent plate models for axial buckling of single-layered graphene nanosheets using molecular dynamics simulation

2017 ◽  
Vol 24 (2) ◽  
pp. 1265-1277 ◽  
Author(s):  
S. Sahmani ◽  
A. M. Fattahi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graphene Nanosheets ◽  
Dynamics Simulation ◽  
Size Dependent ◽  
Axial Buckling ◽  
Plate Models

Size-dependent cuboctahedron-icosahedron transformations of Co-based bimetallic by molecular dynamics simulation

2018 ◽  
Vol 232 ◽  
pp. 8-10 ◽  
Author(s):  
Yang Gao ◽  
Guojian Li ◽  
Yongjun Piao ◽  
Shiying Liu ◽  
Shan Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Size Dependent

Investigation of Indenter-Size-Dependent Nanoplasticity of Silicon by Molecular Dynamics Simulation

2020 ◽  
Vol 2 (9) ◽  
pp. 3039-3047
Author(s):  
Jiapeng Sun ◽  
Bingqian Xu ◽  
Xiaoru Zhuo ◽  
Jing Han ◽  
Zhenquan Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Size Dependent

Molecular dynamics simulation of cytotoxicity of graphene nanosheets to blood-coagulation protein

2017 ◽  
Vol 12 (1) ◽  
pp. 01A403 ◽  
Author(s):  
Byeong Cheol Jo ◽  
Hyun Jung Yoon ◽  
Myoung-Ryul Ok ◽  
Sangwook Wu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Blood Coagulation ◽  
Graphene Nanosheets ◽  
Dynamics Simulation ◽  
Coagulation Protein

scholarly journals Interaction Between Edge Dislocation and Single-Layered Graphene in Aluminum Matrix Investigated by Molecular Dynamics Simulation

2022 ◽  
Vol 2152 (1) ◽  
pp. 012034
Author(s):  
Liu Chen ◽  
Zhencheng Li ◽  
Sai Xu ◽  
Aixue Sha
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Mechanical Response ◽  
Aluminum Matrix ◽  
Shear Plane ◽  
Computational Method ◽  
Dynamics Simulation ◽  
Size Dependent ◽  
Graphene Interface ◽  
Dislocation Movement

Abstract The influence of graphene on dislocation movement and subsequent mechanical response of aluminum is investigated by the computational method of molecular dynamics simulation. A Lennard–Jones potential describing Al-C interaction was obtained through ab initio calculation. It was observed that the 2D graphene could reinforce Al matrix similar to the traditional Orowan mechanism. The Al/graphene interface first attract the gliding dislocation to reduce the system energy, which is unlike the grain boundary to repel gliding dislocations through pile-up mechanism. With the increase of stress, dislocation attracted and trapped at the front of graphene could glide along the interface and finally bypass it through climbing when graphene is orientated out of the shear plane. In addition, the strengthening ability of graphene is size dependent, showing a linear relationship between strength increment and graphene size.

Abnormal change of melting points of gold nanoparticles confined between two-layer graphene nanosheets

RSC Advances ◽  
2016 ◽  
Vol 6 (110) ◽  
pp. 108343-108346 ◽  
Author(s):  
Gang Wang ◽  
Nanhua Wu ◽  
Jinjian Wang ◽  
Jingling Shao ◽  
Xiaolei Zhu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Melting Temperature ◽  
Graphene Nanosheets ◽  
Dynamics Simulation ◽  
Nanoparticle Size ◽  
Melting Points ◽  
Layer Graphene ◽  
Reasonable Explanation

A molecular dynamics simulation demonstrated that the melting temperature of gold nanoparticles confined in two-layer graphene nanosheets was indicated to decrease with nanoparticle size and a reasonable explanation is provided.

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