Kinetic and Numerical Approaches to Nucleation and Growth During a First Order Phase Transition

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Novel nanostructures are created during first order phase transitions. Embryos of the new phase are formed by aggregation of particles which diffuse in the local field. Two model independent approaches to nucleation are described : a dynamic density functional theory using the stochastic equation and a molecular dynamics simulation. A comparison makes it possible to confront the two approaches and to verify results for the local particle density, the mean square displacement and cluster dynamics on an atomic level. An analogy between the single particle paths and the conformation of a stiff polymer chain is demonstrated.

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Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology
Published: March 19, 2001
Pages: 141 - 144
Industry sector: Advanced Materials & Manufacturing
Topics: Informatics, Modeling & Simulation
ISBN: 0-9708275-3-9