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Article
Crystallization in Nano-Confinement Seeded by a Nanocrystal -- A Molecular Dynamics Study
Journal of Applied Physics
  • Heng Pan, Missouri University of Science and Technology
  • Costas Grigoropoulos
Abstract

Seeded crystallization and solidification in nanoscale confinement volumes have become an important and complex topic. Due to the complexity and limitations in observing nanoscale crystallization, computer simulation can provide valuable details for supporting and interpreting experimental observations. In this article, seeded crystallization from nano-confined liquid, as represented by the crystallization of a suspended gold nano-droplet seeded by a pre-existing gold nanocrystal seed, was investigated using molecular dynamics simulations in canonical (NVT) ensemble. We found that the crystallization temperature depends on nano-confinement volume, crystal orientation, and seed size as explained by classical two-sphere model and Gibbs-Thomson effect.

Department(s)
Mechanical and Aerospace Engineering
Research Center/Lab(s)
Center for High Performance Computing Research
Document Type
Article - Journal
Document Version
Final Version
File Type
text
Language(s)
English
Rights
© 2014 American Institute of Physics (AIP), All rights reserved.
Publication Date
1-1-2014
Citation Information
Heng Pan and Costas Grigoropoulos. "Crystallization in Nano-Confinement Seeded by a Nanocrystal -- A Molecular Dynamics Study" Journal of Applied Physics Vol. 115 Iss. 10 (2014) ISSN: 0021-8979
Available at: http://works.bepress.com/heng-pan/7/