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https://olympias.lib.uoi.gr/jspui/handle/123456789/17624Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Papanicolaou, N. I. | en |
| dc.contributor.author | Evangelakis, G. A. | en |
| dc.contributor.author | Kallinteris, G. C. | en |
| dc.date.accessioned | 2015-11-24T18:40:27Z | - |
| dc.date.available | 2015-11-24T18:40:27Z | - |
| dc.identifier.issn | 0927-0256 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/17624 | - |
| dc.rights | Default Licence | - |
| dc.subject | adatoms | en |
| dc.subject | silver | en |
| dc.subject | molecular dynamics simulation | en |
| dc.subject | surface diffusion | en |
| dc.subject | vibrations and relaxations of adsorbed and surface atoms | en |
| dc.subject | self-diffusion | en |
| dc.subject | transition-metals | en |
| dc.subject | ag | en |
| dc.subject | au | en |
| dc.subject | simulation | en |
| dc.subject | exchange | en |
| dc.subject | defects | en |
| dc.subject | growth | en |
| dc.subject | ni | en |
| dc.subject | cu | en |
| dc.title | Molecular dynamics description of silver adatom diffusion on Ag(100) and Ag(111) surfaces | en |
| heal.type | journalArticle | - |
| heal.type.en | Journal article | en |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.identifier.secondary | <Go to ISI>://000072663900020 | - |
| heal.identifier.secondary | http://ac.els-cdn.com/S092702569700089X/1-s2.0-S092702569700089X-main.pdf?_tid=77ecfcc39a091ba17bc6165589d0250d&acdnat=1334219711_2f45ff58a0d40edb10070a4e98d3ee55 | - |
| heal.language | en | - |
| heal.access | campus | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Επιστημών και Τεχνολογιών. Τμήμα Βιολογικών Εφαρμογών και Τεχνολογιών | el |
| heal.publicationDate | 1998 | - |
| heal.abstract | The self-diffusion processes of single adatoms on Ag(1 0 0) and Ag(1 1 1) surfaces have been studied using molecular-dynamics simulations and a many-body potential derived in the framework of the second-moment approximation to the tight-binding model. Our results for the (1 0 0) surface indicate that, although the migration energy for hopping is lower than that of the exchange mechanism, the exchange diffusion is higher than hopping diffusion for temperatures above 600 K. The migration energy for the hopping mechanism is in very good agreement with the experiment and the results of ab initio calculations. We also find that for the Ag(1 1 1) face the dominant mechanism is the hopping, which exhibit Arrhenius behaviour with two distinct temperature ranges, corresponding to two different migration energies. The diffusion in the high temperature region is mainly due to correlated jumps requiring an activation energy which is in excellent agreement with the experimental data. In addition the temperature dependence of the mean-square-displacements and the relaxations of both surface atoms and adatoms are presented and compared with previous studies. Copyright (C) 1998 Elsevier Science B.V. | en |
| heal.journalName | Computational Materials Science | en |
| heal.journalType | peer reviewed | - |
| heal.fullTextAvailability | TRUE | - |
| Appears in Collections: | Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά) | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Papanicolaou-1998-Molecular dynamics d.pdf | 465.75 kB | Adobe PDF | View/Open Request a copy |
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