Immersed nano-sized Al dispersoids in an Al matrix: effects on the structural and mechanical properties by molecular dynamics simulations
| dc.contributor.author | Chamati, H. | en |
| dc.contributor.author | Stoycheva, M. S. | en |
| dc.contributor.author | Evangelakis, G. A. | en |
| dc.date.accessioned | 2015-11-24T18:27:11Z | |
| dc.date.available | 2015-11-24T18:27:11Z | |
| dc.identifier.issn | 0953-8984 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/16000 | |
| dc.rights | Default Licence | - |
| dc.subject | nanocrystalline materials | en |
| dc.subject | elastic-constants | en |
| dc.subject | metals | en |
| dc.subject | clusters | en |
| dc.subject | aluminum | en |
| dc.title | Immersed nano-sized Al dispersoids in an Al matrix: effects on the structural and mechanical properties by molecular dynamics simulations | en |
| heal.abstract | We used molecular dynamics simulations based on a potential model, in analogy to the tight binding scheme in the second moment approximation, to simulate the effects of aluminium icosahedral grains (dispersoids) on the structure and the mechanical properties of an aluminium matrix. First we validated our model by calculating several thermodynamic properties referring to the bulk Al case and we found good agreement with available experimental and theoretical data. Afterwards, we simulated Al systems containing Al clusters of various sizes. We found that the structure of the Al matrix is affected by the presence of the dispersoids resulting in well ordered domains of different symmetries that were identified using suitable Voronoi analysis. In addition, we found that the increase of the grain size has a negative effect on the mechanical properties of the nanocomposite as manifested by the lowering of the calculated bulk moduli. The obtained results are in line with available experimental data. | en |
| heal.access | campus | - |
| heal.fullTextAvailability | TRUE | - |
| heal.identifier.primary | Doi 10.1088/0953-8984/16/28/021 | - |
| heal.identifier.secondary | <Go to ISI>://000223017300025 | - |
| heal.identifier.secondary | http://iopscience.iop.org/0953-8984/16/28/021/pdf/0953-8984_16_28_021.pdf | - |
| heal.journalName | Journal of Physics-Condensed Matter | en |
| heal.journalType | peer reviewed | - |
| heal.language | en | - |
| heal.publicationDate | 2004 | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Επιστημών και Τεχνολογιών. Τμήμα Βιολογικών Εφαρμογών και Τεχνολογιών | el |
| heal.type | journalArticle | - |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.type.en | Journal article | en |
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