Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/51322
Título: | Parallel kinetic Monte Carlo simulation of Al₃Sc precipitation |
Autor(es): | Moura, Alfredo Esteves, António |
Palavras-chave: | Al Sc precipitation 3 kinetic Monte Carlo MPI spkMC vacancy diffusion Al3Sc precipitation |
Data: | 2017 |
Editora: | Elsevier España |
Revista: | Ciencia e Tecnologia dos Materiais |
Resumo(s): | The present paper reports the precipitation process of Al 3 Sc structures in an aluminum scandium alloy, which has been simulated with a synchronous parallel kinetic Monte Carlo (spkMC) algorithm. The spkMC implementation is based on the vacancy diffusion mechanism. To filter the raw data generated by the spkMC simulations, the density-based clustering with noise (DBSCAN) method has been employed. spkMC and DBSCAN algorithms were implemented in the C language and using MPI library. The simulations were conducted in the SeARCH cluster located at the University of Minho. The Al 3 Sc precipitation was successfully simulated at the atomistic scale with spkMC. DBSCAN proved to be a valuable aid to identify the precipitates by performing a cluster analysis of the simulation results. The achieved simulations results are in good agreement with those reported in the literature under sequential kinetic Monte Carlo simulations (kMC). The parallel implementation of kMC has provided a 4x speedup over the sequential version. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/51322 |
DOI: | 10.1016/j.ctmat.2016.01.003 |
ISSN: | 0870-8312 |
Arbitragem científica: | yes |
Acesso: | Acesso restrito UMinho |
Aparece nas coleções: | CAlg - Artigos em revistas internacionais / Papers in international journals |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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CTMAT_2107_spkmc_Al3Sc.pdf Acesso restrito! | 1,02 MB | Adobe PDF | Ver/Abrir |