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

Handle URI:
http://hdl.handle.net/10754/597909
Title:
Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study
Authors:
Pan, Heng; Grigoropoulos, Costas
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.
Citation:
Pan H, Grigoropoulos C (2014) Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study. Journal of Applied Physics 115: 104307. Available: http://dx.doi.org/10.1063/1.4868465.
Publisher:
AIP Publishing
Journal:
Journal of Applied Physics
Issue Date:
14-Mar-2014
DOI:
10.1063/1.4868465
Type:
Article
ISSN:
0021-8979; 1089-7550
Sponsors:
Support to this work by the King Abdullah University of Science and Technology (KAUST) is acknowledged.
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorPan, Hengen
dc.contributor.authorGrigoropoulos, Costasen
dc.date.accessioned2016-02-25T12:58:43Zen
dc.date.available2016-02-25T12:58:43Zen
dc.date.issued2014-03-14en
dc.identifier.citationPan H, Grigoropoulos C (2014) Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study. Journal of Applied Physics 115: 104307. Available: http://dx.doi.org/10.1063/1.4868465.en
dc.identifier.issn0021-8979en
dc.identifier.issn1089-7550en
dc.identifier.doi10.1063/1.4868465en
dc.identifier.urihttp://hdl.handle.net/10754/597909en
dc.description.abstractSeeded 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.en
dc.description.sponsorshipSupport to this work by the King Abdullah University of Science and Technology (KAUST) is acknowledged.en
dc.publisherAIP Publishingen
dc.titleCrystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics studyen
dc.typeArticleen
dc.identifier.journalJournal of Applied Physicsen
dc.contributor.institutionDepartment of Mechanical & Aerospace Engineering, Missouri University of Science and Technology, Rolla, Missouri 65409, USAen
dc.contributor.institutionDepartment of Mechanical Engineering, University of California-Berkeley, Berkeley, California 94720, USAen
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