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    Molecular dynamics investigation of β-SiC behavior under three-axial tensile loading

    , Article Journal of Computational and Theoretical Nanoscience ; Volume 8, Issue 11 , 2011 , Pages 2187-2192 ; 15461955 (ISSN) Mortazavi, B ; Simchi, A ; Besharati Givi, M. K ; Rajabpour, A ; Sharif University of Technology
    Molecular dynamics (MD) simulations were used to study the mechanical behaviour of β-SiC at nano-scale under tensile loading. Effects of loading rate and tensile temperature on the mechanical properties and failure were studied. Modified embedded-atom method (MEAM) potential and Berendsen thermostat were utilized for modelling. Periodic boundary conditions were employed and the behaviour of material was analyzed under three-axial loading condition at which the stress- strain relation was acceptably size independent. It is shown that with increasing the loading rate from 5 m/s to 70 m/s, the failure strain increases without a remarkable change in the stress-strain relationship. The MD...