2025/07/19 by Erasmus, Sané, Ch. Skokos, Skokos, Charalampos +2
Materials Science · #Applied Physics (physics.app-ph) #Boron and Carbon Nanomaterials Research #Chaotic Dynamics (nlin.CD) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Nonlocal and gradient elasticity in micro/nano structures
paper · pdf · doi:10.48550/arxiv.2507.14709
openalex publication_date 2025/07/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Using molecular dynamics simulations in a planar graphene sheet, we investigate the temperature dependence of its mechanical behavior under uniaxial tensile stress applied either along the armchair or the zigzag direction. Stress-strain curves are calculated for different temperatures and the corresponding dependence of various elastic parameters, is discussed. Fracture stress and strain, as well as the Young modulus, decrease almost linearly with temperature, in accordance with previous investigations. An almost linear variation of the third-order elastic modulus with temperature is demonstrated, revealing opposite trends for uniaxial loadings along the armchair or the zigzag direction. The detailed dependence of the distributions of bond lengths and bond angles both on strain and temperature is presented for the first time, along with approximate analytical expressions. The latter describe accurately the numerically obtained distributions.