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Molecular dynamics investigation of β-SiC behavior under three-axial tensile loading [electronic resource]

Mortazavi, B ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: http://dx.doi.org/10.1166/jctn.2011.1942
  3. Abstract:
  4. 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 simulation plots at different temperatures reveal that β-SiC exhibits highly brittle behaviour at low and moderate temperatures (<1000 K) and more ductile behaviour with considerable structural transformations at the higher temperatures. According to the Hooke's law, the modulus of elasticity and poisson's ratio for β-SiC at different temperatures are reported. Extrapolating of the acquired data to low loading rates, i.e., between 5 to 70 m/s to predict the behaviour of the material in more practical condition, revealed a convincing agreement with reported theoretical and experimental results
  5. Keywords:
  6. BETA-SIC ; Loading rate ; Molecular dynamics ; Temperature ; Three-azial tensile loading
  7. Source: Journal of Computational and Theoretical Nanoscience ; November 2011, Volume 8, Number 11, PP. 2187-2192
  8. URL: http://www.ingentaconnect.com/content/asp/jctn/2011/00000008/00000011/art00003