Atomic Density Function Simulations of Crystal Growth Kinetics of FCC Crystal and BCC-FCC Transition
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.
Yves Bréchet, Emmanuel Clouet, Alexis Deschamps, Alphonse Finel and Frédéric Soisson
M. Certain et al., "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