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

Mortazavi, B ; Sharif University of Technology | 2011

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  1. Type of Document: Article
  2. DOI: 10.1166/jctn.2011.1942
  3. Publisher: 2011
  4. Abstract:
  5. 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
  6. Keywords:
  7. β-SiC ; Three-axial tensile loading ; Berendsen thermostat ; Failure strain ; Higher temperatures ; Hooke's Law ; Loading condition ; Loading rate ; Low loading ; MD simulation ; Mechanical behaviour ; Moderate temperature ; Modified embedded atom methods ; Molecular dynamics simulations ; Nano scale ; Periodic boundary conditions ; Poisson's ratio ; Stress-strain relationships ; Structural transformation ; Tensile loading ; Loading ; Mechanical properties ; Molecular dynamics ; Silicon carbide ; Stress-strain curves ; Temperature ; Tensile stress ; Behavioral research
  8. Source: Journal of Computational and Theoretical Nanoscience ; Volume 8, Issue 11 , 2011 , Pages 2187-2192 ; 15461955 (ISSN)
  9. URL: http://www.ingentaconnect.com/content/asp/jctn/2011/00000008/00000011/art00003