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Atomic Density Function Simulations of Crystal Growth Kinetics of FCC Crystal and BCC-FCC Transition

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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.

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Periodical:

Solid State Phenomena (Volumes 172-174)

Pages:

1234-1239

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.172-174.1234

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Online since:

June 2011

Authors:

Marilyne Certain, Helena Zapolsky, Armen G. Khachaturyan

Keywords:

Atomic Density Function Theory, Crystal Growth, Modeling, Reconstructive Transitions

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© 2011 Trans Tech Publications Ltd. All Rights Reserved

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