Inclusion problems associated with thin fcc films: Linkage between eigenstrain and inter-atomic potential

作者: Hossein M Shodja , Ladan Pahlevani , Elham Hamed , None

DOI: 10.1016/J.MECHMAT.2007.02.002

关键词:

摘要: Abstract Often, during fabrication of thin films on substrates, different types defects may be introduced into the films. Recently, determination elastic fields due to self-assembly quantum dots or strained islands in has been major concern. In micromechanical studies, such are modeled by inclusions. This paper aims develop a theory pertaining presence nano-inclusions various geometries within having face centered cubic (fcc) structure. To this end, notion eigenstrain is combined with many body inter-atomic potential suitable for fcc crystals. The interaction between atoms via Sutton–Chen (SC) potential. displacements computed employing integral transform discretized equilibrium equation. Incorporation inclusion and free surface makes it feasible investigate effect distance from surface. For sake comparison result continuum elasticity, problem dislocation loop an infinite domain considered. Moreover, behavior film studied using three-dimensional (3D) molecular dynamics (MD) simulation, compared that obtained proposed theory. During initial processes introducing film, temperature held at 0 K simple scaling method. Afterwards, situations where thermal loading interest, increased, pertinent thermo-mechanical examined.

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