Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation
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| Format: | Artículo científico |
| Sprache: | en |
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Sociedade Brasileira de Física
2004
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| _version_ | 1876423793084203008 |
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| author | F. J. Resende |
| author_facet | F. J. Resende |
| contents | Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation F. J. Resende V. E. Carvalho C. M. C. de Castilho B. V. Costa Física, Astronomía y Matemáticas The thermal behavior of the (010), (110) and (111) copper surfaces is studied by molecular dynamics simulation.We have used a many-body potential based on the tight-binding model in order to describe the Cu-Cuinteraction. The calculations we have performed correspond to simulations in the temperature range between600 and 1800 K. The observed order in the stability follows the same order as in the packing density, i. e.,(110), (010) and (111). The (110) disorder results from anharmonic effects and by vacancy-adatom formation.On the other end, the (111) surface is very stable, and remains so up to temperatures of the order of the bulkmelting point. The melting proceeds by a layer-by-layer mechanism. 2004 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46434215 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.34 |
| format | Artículo científico |
| id | redalyc_46434215 |
| institution | Redalyc |
| language | en |
| publishDate | 2004 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation F. J. Resende Física, Astronomía y Matemáticas Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation F. J. Resende V. E. Carvalho C. M. C. de Castilho B. V. Costa Física, Astronomía y Matemáticas The thermal behavior of the (010), (110) and (111) copper surfaces is studied by molecular dynamics simulation.We have used a many-body potential based on the tight-binding model in order to describe the Cu-Cuinteraction. The calculations we have performed correspond to simulations in the temperature range between600 and 1800 K. The observed order in the stability follows the same order as in the packing density, i. e.,(110), (010) and (111). The (110) disorder results from anharmonic effects and by vacancy-adatom formation.On the other end, the (111) surface is very stable, and remains so up to temperatures of the order of the bulkmelting point. The melting proceeds by a layer-by-layer mechanism. 2004 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46434215 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.34 |
| title | Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation |
| topic | Física, Astronomía y Matemáticas |
| url | https://www.redalyc.org/articulo.oa?id=46434215 |