Alex Antonelli

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We calculate the free energies of unstable stacking fault ͑USF͒ configurations on the glide and shuffle slip planes in silicon as a function of temperature, using the recently developed environment-dependent interatomic potential ͑EDIP͒. We employ the molecular dynamics ͑MD͒ adiabatic switching method with appropriate periodic boundary conditions and(More)
Temperature effects on the energetics of the 90 • partial dislocation in silicon and germanium are investigated, using non-equilibrium methods to estimate free energies, coupled with Monte Carlo simulations. Atomic interactions are described by Tersoff and EDIP interatomic potentials. Our results indicate that the vibrational entropy has the effect of(More)
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