Computational simulation of γ-graphynes under monotonic and hysteretic loading

Abstract

The modeling and simulation of γ-graphyne under monotonic and hysteretic in-plane loading is presented. An atomistic finite element model of γ-graphyne was developed. Four different loading tests were conducted, including unidirectional tests in armchair and zigzag direction, bidirectional test and shear test. From monotonic analyses, the mechanical properties (elastic and strength) were obtained and validated. Hysteretic (cyclic) tests were performed to obtain stress–strain curves and the variation of dissipated energy with the number of cycles. The failure modes and the load-carrying capacity are analyzed. The proposed model simulates correctly the γ-graphyne monotonic and hysteretic mechanical behavior.

Keywords:

• Atomistic finite element
• graphyne
• monotonic behavior
• hysteretic behavior
• energy dissipation

Notes

1 This variable is often designated as average or bulk stress (for 3D states).

Additional information

Funding

The first author gratefully acknowledges the financial support provided by Fundação para a Ciência e Tecnologia (FCT) through the scholarship SFRH/BD/137777/2018. This work was supported by Fundação para a Ciência e Tecnologia (FCT), through IDMEC, under LAETA, project UID/EMS/50022/2013.