Physics – Condensed Matter – Materials Science
Scientific paper
2012-02-05
Physics
Condensed Matter
Materials Science
Scientific paper
Based on the first principles calculation combined with quasi-harmonic approximation, in this work we focus on the analysis of temperature dependent lattice geometries, thermal expansion coefficients, elastic constants and ultimate strength of graphene and graphyne. For the linear thermal expansion coefficient, both graphene and graphyne show a negative region in the low temperature regime. This coefficient increases up to be positive at high temperatures. Graphene has superior mechanical properties, with Young modulus E11=371.0 N/m, E22=378.2 N/m and ultimate tensile strength of 119.2 GPa at room temperature. Based on our analysis, it is found that graphene's mechanical properties have strong resistance against temperature increase up to 1200 K. Graphyne also shows good mechanical properties, with Young modulus E11=224.7 N/m, E22=223.9 N/m and ultimate tensile strength of 81.2 GPa at room temperature, but graphyne's mechanical properties have a weaker resistance with respect to the increase of temperature than that of graphene.
Kawazoe Yoshiyuki
Melnik Roderick
Shao Tianjiao
Tian Yongjun
Wen Bin
No associations
LandOfFree
Temperature dependent elastic constants and ultimate strength of graphene and graphyne does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Temperature dependent elastic constants and ultimate strength of graphene and graphyne, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Temperature dependent elastic constants and ultimate strength of graphene and graphyne will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-461455