Modeling microstructural evolution using atomic density function and effective pair potentials

Ji Hee Kim, Steve Garofalini

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3 Citations (Scopus)

Abstract

We propose a numerical approach to the calculation of microstructural evolution in forms of the atomic density evolution. The modulation of the atomic density wave is driven by the minimization of the free-energy functional, which includes an effective pair potential term with softened core. As applications, we report simulation results of solidification, grain growth, and annealing for a one-component system in two dimensions.

Original languageEnglish
Article number144109
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume78
Issue number14
DOIs
Publication statusPublished - Oct 28 2008

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ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

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