Study on wrinkling in graphene under gradient shear by molecular dynamics simulation

Verfasser / Beitragende:
[Jianzhang Huang, Qiang Han]
Ort, Verlag, Jahr:
2015
Enthalten in:
Journal of Molecular Modeling, 21/2(2015-02-01), 1-8
Format:
Artikel (online)
ID: 605513473
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024 7 0 |a 10.1007/s00894-015-2575-7  |2 doi 
035 |a (NATIONALLICENCE)springer-10.1007/s00894-015-2575-7 
245 0 0 |a Study on wrinkling in graphene under gradient shear by molecular dynamics simulation  |h [Elektronische Daten]  |c [Jianzhang Huang, Qiang Han] 
520 3 |a The formation and development mechanisms of wrinkles in a rectangular single layer graphene sheet (SLGS) subjected to in-plane gradient shear displacements are investigated through molecular dynamics (MD) simulations. The growth and propagation process of the SLGS wrinkling is elucidated by the developing atomic out-of-plane displacements of the key atoms. It reveals that the shape of SLGSandloading condition have a significant effect on the SLGS wrinkling deformation. The dependences of the wrinkling amplitude, wavelength, and out-of-plane displacements on the applied gradient shear displacements are obtained with MD simulations. The effects of aspect ratio, temperature, and loading grads on wrinkling in graphene are also studied. 
540 |a Springer-Verlag Berlin Heidelberg, 2015 
690 7 |a Gradient shear  |2 nationallicence 
690 7 |a Graphene  |2 nationallicence 
690 7 |a Molecular dynamics  |2 nationallicence 
690 7 |a Wrinkle  |2 nationallicence 
700 1 |a Huang  |D Jianzhang  |u School of Civil Engineering and Transportation, South China University of Technology, Guangzhou, Guangdong, People's Republic of China  |4 aut 
700 1 |a Han  |D Qiang  |u School of Civil Engineering and Transportation, South China University of Technology, Guangzhou, Guangdong, People's Republic of China  |4 aut 
773 0 |t Journal of Molecular Modeling  |d Springer Berlin Heidelberg  |g 21/2(2015-02-01), 1-8  |x 1610-2940  |q 21:2<1  |1 2015  |2 21  |o 894 
856 4 0 |u https://doi.org/10.1007/s00894-015-2575-7  |q text/html  |z Onlinezugriff via DOI 
898 |a BK010053  |b XK010053  |c XK010000 
900 7 |a Metadata rights reserved  |b Springer special CC-BY-NC licence  |2 nationallicence 
908 |D 1  |a research-article  |2 jats 
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950 |B NATIONALLICENCE  |P 700  |E 1-  |a Huang  |D Jianzhang  |u School of Civil Engineering and Transportation, South China University of Technology, Guangzhou, Guangdong, People's Republic of China  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Han  |D Qiang  |u School of Civil Engineering and Transportation, South China University of Technology, Guangzhou, Guangdong, People's Republic of China  |4 aut 
950 |B NATIONALLICENCE  |P 773  |E 0-  |t Journal of Molecular Modeling  |d Springer Berlin Heidelberg  |g 21/2(2015-02-01), 1-8  |x 1610-2940  |q 21:2<1  |1 2015  |2 21  |o 894