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The molecular dynamics method is applied to simulate the recrystallization ofan amorphous/crystalline silicon interface. The atomic structure of theamorphous material is constructed with the method of Wooten, Winer, and Weaire.The amorphous on crystalline stack is annealed afterward on a wide range oftemperature and time using five different interatomic potentials:Stillinger-Weber, Tersoff, EDIP, SW115, and Lenosky. The simulations areexploited to systematically extract the recrystallization velocity. A strongdependency of the results on the interatomic potential is evidenced andexplained by the capability of some potentials (Tersoff and SW115) to correctlyhandle the amorphous structure, while other potentials (Stillinger-Weber, EDIP,and Lenosky) lead to the melting of the amorphous. Consequently, theinteratomic potentials are classified according to their ability to simulatethe solid or the liquid phase epitaxy.

journal of applied physics

Molecular dynamics simulation of the recrystallization of amorphous Si  layers: Comprehensive study of the dependence of the recrystallization  velocity on the interatomic potential