Molecular dynamics simulation of the crystallization of a liquid gold nanoparticle
SCIE
SCOPUS
- Title
- Molecular dynamics simulation of the crystallization of a liquid gold nanoparticle
- Authors
- Shim, JH; Lee, SC; Lee, BJ; Suh, JY; Cho, YW
- Date Issued
- 2003-04
- Publisher
- ELSEVIER SCIENCE BV
- Abstract
- Molecular dynamics simulation of the crystallization behavior of a liquid gold (Au) nanoparticle, about 4 nm in diameter,,on cooling has been carried out based on the modified embedded-atom-method potential. With decreasing cooling rate, the final - structure. of the particle changes from amorphous to crystalline via icosahedron-like, structure. While the outer shell of the icosahedron-like particle shows crystalline feature with {111}-like facets, the inner core remains amorphous. It is found that the structure of the fully crystallized particle is polycrystalline face-centered cubic (fcc). The fcc structure of the gold nanoparticle is proved energetically the most stable form. (C) 2003 Elsevier Science B.V. All rights reserved.
- Keywords
- computer simulation; surface structure; metals; nanomaterials; EMBEDDED-ATOM POTENTIALS; SILICON; METALS; NANOSTRUCTURE; IMPURITIES; CLUSTERS; AU
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/108153
- DOI
- 10.1016/S0022-0248(02)02490-9
- ISSN
- 0022-0248
- Article Type
- Article
- Citation
- JOURNAL OF CRYSTAL GROWTH, vol. 250, no. 3-4, page. 558 - 564, 2003-04
- Files in This Item:
- There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.