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The temperature effect on mechanical properties of silicon carbide sheet based on density functional treatment

یکشنبه, 11 آذر 1397 ساعت 11:00
خواندن 117 دفعه

In the current work, mechanical properties of SiC graphene sheet and influence of temperature on those properties are studied. The purpose of this work is to investigate the temperature dependency of the Young’s modulus and Bulk’s modulus of SiC graphene sheet. To reach these goals, density functional theory (DFT) and quasi-harmonic approximation (QHA) methods are used to calculate energies of electrons and phonons, and consequently to obtain total energy of system. Results have been compared with existing data from literature and good agreement has been found. It is found that the effect of temperature on the mechanical properties of the SiC graphene sheet is significant.

 

Ref: https://www.sciencedirect.com/science/article/pii/S003810981500407X

 

 

 

 

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