Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study

Heng Pan; Costas Grigoropoulos

doi:10.1063/1.4868465

Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study

Heng Pan, Costas Grigoropoulos

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

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. © 2014 AIP Publishing LLC.

Original language	English (US)
Pages (from-to)	104307
Journal	Journal of Applied Physics
Volume	115
Issue number	10
DOIs	https://doi.org/10.1063/1.4868465
State	Published - Mar 14 2014
Externally published	Yes

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Support to this work by the King Abdullah University of Science and Technology (KAUST) is acknowledged.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.

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title = "Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study",

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. {\textcopyright} 2014 AIP Publishing LLC.",

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AU - Pan, Heng

AU - Grigoropoulos, Costas

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PY - 2014/3/14

Y1 - 2014/3/14

N2 - 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. © 2014 AIP Publishing LLC.

AB - 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. © 2014 AIP Publishing LLC.

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Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study

Abstract

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