Temperature and strain-rate dependent fracture strength of graphynes


Autoria(s): Zhang, Ying-Yan; Pei, Qing-Xiang; Mai, Yiu-Wing; Gu, Yuan-Tong
Data(s)

22/10/2014

Resumo

Graphyne is an allotrope of graphene. The mechanical properties of graphynes (α-, β-, γ- and 6,6,12-graphynes) under uniaxial tension deformation at different temperatures and strain rates are studied using molecular dynamics simulations. It is found that graphynes are more sensitive to temperature changes than graphene in terms of fracture strength and Young's modulus. The temperature sensitivity of the different graphynes is proportionally related to the percentage of acetylenic linkages in their structures, with the α-graphyne (having 100% of acetylenic linkages) being most sensitive to temperature. For the same graphyne, temperature exerts a more pronounced effect on the Young's modulus than fracture strength, which is different from that of graphene. The mechanical properties of graphynes are also sensitive to strain rate, in particular at higher temperatures.

Identificador

http://eprints.qut.edu.au/77838/

Publicador

Institute of Physics Publishing Ltd.

Relação

DOI:10.1088/0022-3727/47/42/425301

Zhang, Ying-Yan, Pei, Qing-Xiang, Mai, Yiu-Wing, & Gu, Yuan-Tong (2014) Temperature and strain-rate dependent fracture strength of graphynes. Journal of Physics D: Applied Physics, 47(42), p. 425301.

http://purl.org/au-research/grants/ARC/DP130102120

Direitos

Copyright 2014 IOP Publishing Ltd

Fonte

School of Chemistry, Physics & Mechanical Engineering; Science & Engineering Faculty

Palavras-Chave #091299 Materials Engineering not elsewhere classified #091307 Numerical Modelling and Mechanical Characterisation #graphyne #mechanical properties #molecular dynamics
Tipo

Journal Article