Temperature and strain-rate dependent fracture strength of graphynes
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.
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.
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|Item Type:||Journal Article|
|Keywords:||graphyne, mechanical properties, molecular dynamics|
|Subjects:||Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200) > Materials Engineering not elsewhere classified (091299)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Copyright Owner:||Copyright 2014 IOP Publishing Ltd|
|Deposited On:||19 Oct 2014 23:39|
|Last Modified:||20 Oct 2014 21:48|
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