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Campo DC | Valor | Idioma |
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dc.contributor.author | Mundim, Kleber Carlos | - |
dc.contributor.author | Malbouisson, L. A. C. | - |
dc.contributor.author | Dorfman, Simon | - |
dc.contributor.author | Fuks, D. | - |
dc.contributor.author | Humbeeck, J. Van | - |
dc.contributor.author | Liubich, Vlad | - |
dc.creator | Mundim, Kleber Carlos | - |
dc.creator | Malbouisson, L. A. C. | - |
dc.creator | Dorfman, Simon | - |
dc.creator | Fuks, D. | - |
dc.creator | Humbeeck, J. Van | - |
dc.creator | Liubich, Vlad | - |
dc.date.accessioned | 2013-01-04T12:56:51Z | - |
dc.date.issued | 2001 | - |
dc.identifier.issn | 0166-1280 | - |
dc.identifier.uri | http://www.repositorio.ufba.br/ri/handle/ri/7746 | - |
dc.description | Texto completo: acesso restrito. p. 191–197 | pt_BR |
dc.description.abstract | The results of atomistic simulations of migration and formation energies of mono- and di-vacancies in bulk tungsten are presented in our paper. The interatomic potential for tungsten was extracted with the recursive procedure from ab initio calculations of the cohesive energy. A stochastic molecular dynamics using a generalized simulated annealing procedure was employed in the simulations. Calculated values of mono- and di-vacancies energy parameters are in a good agreement with experimental data and with the results of other calculations. | pt_BR |
dc.language.iso | en | pt_BR |
dc.source | http://dx.doi.org/10.1016/S0166-1280(00)00788-0 | pt_BR |
dc.subject | Diffusion | pt_BR |
dc.subject | Tungsten | pt_BR |
dc.subject | Vacancy | pt_BR |
dc.subject | Interatomic potentials | pt_BR |
dc.subject | Non-empirical calculations | pt_BR |
dc.title | Diffusion properties of tungsten from atomistic simulations with ab initio potentials | pt_BR |
dc.title.alternative | Journal of Molecular Structure: THEOCHEM | pt_BR |
dc.type | Artigo de Periódico | pt_BR |
dc.identifier.number | v. 539, n. 1-3 | pt_BR |
dc.embargo.liftdate | 10000-01-01 | - |
Aparece nas coleções: | Artigo Publicado em Periódico (FIS) |
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Mundim.pdf Restricted Access | 143,97 kB | Adobe PDF | Visualizar/Abrir Solicitar uma cópia |
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