W. C. Liu, S. Q. Shi, C. H. Woo, Hanchen Huang1
CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.2, pp. 213-218, 2002, DOI:10.3970/cmes.2002.003.213
Abstract Using molecular dynamics method, we study the nucleation of dislocations and their subsequent propagation during the deposition of tungsten thin films under tension. Aiming to reveal the generic mechanisms of dislocation nucleation during the deposition of polycrystalline thin films, the case of tungsten on a substrate of the same material is considered. The substrate is under uniaxial tension along the [111] direction, with the thermodynamically favored (01ˉˉ1) surface being horizontal. The simulation results indicate that the nucleation starts with a surface step, where a surface atom is pressed into the film along the [111ˉˉ] direction. This process leads… More >
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