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Crystallization in Nano-Confinement Seeded by a Nanocrystal: A Molecular Dynamics Study

[+] Author Affiliations
Heng Pan

Missouri University of Science and Technology, Rolla, MO

Costas Grigoropoulos

University of California Berkeley, Berkeley, CA

Paper No. IMECE2014-39705, pp. V02AT02A059; 9 pages
  • ASME 2014 International Mechanical Engineering Congress and Exposition
  • Volume 2A: Advanced Manufacturing
  • Montreal, Quebec, Canada, November 14–20, 2014
  • Conference Sponsors: ASME
  • ISBN: 978-0-7918-4643-8
  • Copyright © 2014 by ASME


Seeded crystallization and solidification in nanoscale confinement volumes has become an important and complex topic in nanomanufacturing. 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.

Copyright © 2014 by ASME



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