Paper Title:
Atomic Density Function Simulations of Crystal Growth Kinetics of FCC Crystal and BCC-FCC Transition
  Abstract

Spontaneous self-assembling of interacting atoms prototyping crystallization and reconstructive phase transitions in crystalline state is discussed in terms of Atomic Density Function (ADF) theory. It is demonstrated that a multi-mode potential can reproduce any crystal structure. 3D computer modeling of formation of the FCC crystal and crystal lattice rearrangement in the FCCàBCC transformation is presented.

  Info
Periodical
Solid State Phenomena (Volumes 172-174)
Edited by
Yves Bréchet, Emmanuel Clouet, Alexis Deschamps, Alphonse Finel and Frédéric Soisson
Pages
1234-1239
DOI
10.4028/www.scientific.net/SSP.172-174.1234
Citation
M. Certain, H. Zapolsky, A. G. Khachaturyan, "Atomic Density Function Simulations of Crystal Growth Kinetics of FCC Crystal and BCC-FCC Transition", Solid State Phenomena, Vols. 172-174, pp. 1234-1239, 2011
Online since
June 2011
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