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Elastic field of a nano disk shape defect in an fcc thin film

Mohammadi Shodja, H ; Sharif University of Technology | 2007

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  1. Type of Document: Article
  2. DOI: 10.1109/NEMS.2007.352248
  3. Publisher: 2007
  4. Abstract:
  5. In this paper, we develop a theory to study the nano defects of various geometries within thin films. The considered thin films have face centered cubic (fee) structure. The eigenstrain method is combined with the long-range Sutton-Chen (SC) inter-atomic potential function which is appropriate for fee crystals. The disturbance caused by a defect in a thin film is determined from the equilibrium equation using the discrete Fourier transformation. The disturbed field is also determined using three dimensional (3D) Molecular Dynamics (MD) simulation in which the constant NVT ensemble is applied to the atomic system. For illustration, the problem of nano disk shape defect in thin film is studied by both the proposed theory and MD simulation. To compare the result of the present theory with that of continuum theory of elasticity, the problem of prismatic dislocation loop in an infinite domain is also considered. © 2007 IEEE
  6. Keywords:
  7. Computer simulation ; Crystals ; Defects ; Discrete Fourier transforms ; Elasticity ; Molecular dynamics ; Eigenstrains ; Elastic fields ; Nano defects ; Thin films
  8. Source: 2007 2nd IEEE International Conference on Nano/Micro Engineered and Molecular Systems, IEEE NEMS 2007, Bangkok, 16 January 2007 through 19 January 2007 ; 2007 , Pages 142-146 ; 1424406102 (ISBN) ; 9781424406104 (ISBN)
  9. URL: https://ieeexplore.ieee.org/document/4160551