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Molecular dynamics simulation study of the effect of temperature and grain size on the deformation behavior of polycrystalline cementite

Ghaffarian, H ; Sharif University of Technology | 2015

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  1. Type of Document: Article
  2. DOI: 10.1016/j.scriptamat.2014.09.022
  3. Publisher: Elsevier Ltd , 2015
  4. Abstract:
  5. Molecular dynamics simulations combined with quantitative atomic displacement analyses were performed to study the deformation behaviors of polycrystalline cementite (Fe3C). At low temperature and large grain size, dislocation glide acts as the preferred deformation mechanism. Due to the limited number of slip systems at low temperature, polycrystalline cementite breaks by forming voids at grain boundaries upon tensile loading. When the temperature rises or the grain size reduces, grain boundary sliding becomes the primary mechanism and plastic deformation is accommodated effectively
  6. Keywords:
  7. Molecular dynamics simulation ; Polycrystalline cementite ; Grain boundary sliding ; Carbides ; Grain boundaries ; Grain size and shape ; Loading ; Slip forming ; Temperature ; Atomic displacement ; Deformation behavior ; Deformation mechanism ; Effect of temperature ; Large grain sizes ; Molecular dynamics simulations ; Polycrystalline ; Brittle to ductile transition ; Primary mechanism
  8. Source: Scripta Materialia ; Volume 95, Issue 1 , 2015 , Pages 23-26 ; 13596462 (ISSN)
  9. URL: http://www.sciencedirect.com/science/article/pii/S1359646214003819