|
| | | | |
| | | |
| Stat |
Members: 3645
Articles: 2'500'096
Articles rated: 2609
19 April 2024 |
|
| | | | |
|
Article overview
| |
|
|
Structural Consequences of the Range of the Interatomic Potential: a Menagerie of Clusters | | Jonathan Doye
; David Wales
; | | Date: |
18 Sep 1997 | | Journal: | J. Chem. Soc., Faraday Trans., 93, 4233 (1997) | | Subject: | Condensed Matter; Atomic and Molecular Clusters | cond-mat physics.atm-clus | | Abstract: | We have attempted to find the global minima of clusters containing between 20 and 80 atoms bound by the Morse potential as a function of the range of the interatomic force. The effect of decreasing the range is to destabilize strained structures, and hence the global minimum changes from icosahedral to decahedral to face-centred-cubic as the range is decreased. For N>45 the global minima associated with a long-ranged potential have polytetrahedral structures involving defects called disclination lines. For the larger clusters the network of disclination lines is disordered and the global minimum has an amorphous structure resembling a liquid. The size evolution of polytetrahedral packings enables us to study the development of bulk liquid structure in finite systems. As many experiments on the structure of clusters only provide indirect structural information, these results will be very useful in aiding the interpretation of experiment. They also provide candidate structures for theoretical studies using more specific and computationally expensive descriptions of the interatomic interactions. Furthermore, Morse clusters provide a rigorous testing ground for global optimization methods. | | Source: | arXiv, cond-mat/9709201 | | Services: | Forum | Review | PDF | Favorites | |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
browser Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)
|
| |
|
|
|
|
News, job offers and information for researchers and scientists:
| |
REGISTER