Publicação
Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method
| Resumo: | This paper describes the simulation of the phenomenon of nucleation of the precipitate Al3Sc in an Aluminum Scandium alloy using the kinetic Monte Carlo (kMC) method and the density-based clustering with noise (DBSCAN) method to filter the simulation data. To conduct this task, kMC and DBSCAN algorithms were implemented in C language. The study covers a range of temperatures, concentrations, and dimensions, going from 573K to 873K, 0.25% to 5%, and 50x50x50 to 100x100x100. The Al3Sc precipitation was successfully simulated at the atomistic scale. DBSCAN revealed to be a valorous aid to identify the precipitates. The achieved results are in good agreement with those reported in the literature, but we went deeper in the evaluation of the influence of all the simulation and analysis parameters. |
|---|---|
| Autores principais: | Moura, Alfredo de |
| Outros Autores: | Esteves, António |
| Ano: | 2013 |
| País: | Portugal |
| Tipo de documento: | comunicação em conferência |
| Tipo de acesso: | acesso aberto |
| Instituição associada: | Universidade do Minho |
| Idioma: | inglês |
| Origem: | RepositóriUM - Universidade do Minho |
| _version_ | 1866877061241503744 |
|---|---|
| author | Moura, Alfredo de |
| author2 | Esteves, António |
| author2_role | author |
| author_facet | Moura, Alfredo de Esteves, António |
| author_role | author |
| contributor_name_str_mv | Universidade do Minho |
| country_str | PT |
| creators_json_txt | [{\"Person.name\":\"Moura, Alfredo de\"},{\"Person.name\":\"Esteves, António\"}] |
| datacite.contributors.contributor.contributorName.fl_str_mv | Universidade do Minho |
| datacite.creators.creator.creatorName.fl_str_mv | Moura, Alfredo de Esteves, António |
| datacite.date.Accepted.fl_str_mv | 2013-08-01T00:00:00Z |
| datacite.date.available.fl_str_mv | 2013-11-27T15:58:24Z |
| datacite.date.embargoed.fl_str_mv | 2013-11-27T15:58:24Z |
| datacite.rights.fl_str_mv | http://purl.org/coar/access_right/c_abf2 |
| datacite.titles.title.fl_str_mv | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method |
| dc.contributor.none.fl_str_mv | Universidade do Minho |
| dc.creator.none.fl_str_mv | Moura, Alfredo de Esteves, António |
| dc.date.Accepted.fl_str_mv | 2013-08-01T00:00:00Z |
| dc.date.available.fl_str_mv | 2013-11-27T15:58:24Z |
| dc.date.embargoed.fl_str_mv | 2013-11-27T15:58:24Z |
| dc.format.none.fl_str_mv | application/pdf |
| dc.identifier.none.fl_str_mv | https://hdl.handle.net/1822/26382 |
| dc.language.none.fl_str_mv | eng |
| dc.publisher.none.fl_str_mv | IEEE |
| dc.rights.none.fl_str_mv | http://purl.org/coar/access_right/c_abf2 |
| dc.title.fl_str_mv | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method |
| dc.type.none.fl_str_mv | http://purl.org/coar/resource_type/c_5794 |
| description | This paper describes the simulation of the phenomenon of nucleation of the precipitate Al3Sc in an Aluminum Scandium alloy using the kinetic Monte Carlo (kMC) method and the density-based clustering with noise (DBSCAN) method to filter the simulation data. To conduct this task, kMC and DBSCAN algorithms were implemented in C language. The study covers a range of temperatures, concentrations, and dimensions, going from 573K to 873K, 0.25% to 5%, and 50x50x50 to 100x100x100. The Al3Sc precipitation was successfully simulated at the atomistic scale. DBSCAN revealed to be a valorous aid to identify the precipitates. The achieved results are in good agreement with those reported in the literature, but we went deeper in the evaluation of the influence of all the simulation and analysis parameters. |
| dirty | 0 |
| eu_rights_str_mv | openAccess |
| format | conferencePaper |
| fulltext.url.fl_str_mv | https://prod-dspace.uminho.pt/bitstreams/c985d811-dc40-463d-8857-a9b8ec89e193/download |
| id | rum_edd6ba2af9ad946bc02cfa2e02a1ef21 |
| identifier.url.fl_str_mv | https://hdl.handle.net/1822/26382 |
| instacron_str | repositorium |
| institution | Universidade do Minho |
| instname_str | Universidade do Minho |
| language | eng |
| network_acronym_str | rum |
| network_name_str | RepositóriUM - Universidade do Minho |
| oai_identifier_str | oai:repositorium.uminho.pt:1822/26382 |
| organization_str_mv | urn:organizationAcronym:repositorium |
| person_str_mv | Moura, Alfredo de Esteves, António |
| publishDate | 2013 |
| publisher.none.fl_str_mv | IEEE |
| reponame_str | RepositóriUM - Universidade do Minho |
| repository_id_str | urn:repositoryAcronym:rum |
| service_str_mv | urn:repositoryAcronym:rum |
| spelling | engIEEEporThis paper describes the simulation of the phenomenon of nucleation of the precipitate Al3Sc in an Aluminum Scandium alloy using the kinetic Monte Carlo (kMC) method and the density-based clustering with noise (DBSCAN) method to filter the simulation data. To conduct this task, kMC and DBSCAN algorithms were implemented in C language. The study covers a range of temperatures, concentrations, and dimensions, going from 573K to 873K, 0.25% to 5%, and 50x50x50 to 100x100x100. The Al3Sc precipitation was successfully simulated at the atomistic scale. DBSCAN revealed to be a valorous aid to identify the precipitates. The achieved results are in good agreement with those reported in the literature, but we went deeper in the evaluation of the influence of all the simulation and analysis parameters.application/pdfporSimulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo methodMoura, Alfredo deEsteves, AntónioHostingInstitutionOrganizationalUniversidade do Minhoe-mailmailto:repositorium@usdb.uminho.ptrepositorium@usdb.uminho.ptISBNIsPartOf9781479906765DOIIsPartOf10.1109/NANO.2013.67210032013-11-27T15:58:24Z2013-082013-08-01T00:00:00ZHandlehttps://hdl.handle.net/1822/26382http://purl.org/coar/access_right/c_abf2open access1027842 bytesother research producthttp://purl.org/coar/resource_type/c_5794conference paperhttp://purl.org/coar/access_right/c_abf2application/pdffulltexthttps://prod-dspace.uminho.pt/bitstreams/c985d811-dc40-463d-8857-a9b8ec89e193/download |
| spellingShingle | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method Moura, Alfredo de |
| status | SINGLETON |
| title | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method |
| title_full | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method |
| title_fullStr | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method |
| title_full_unstemmed | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method |
| title_short | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method |
| title_sort | Simulation of the nucleation of the precipitate Al3Sc in an aluminum scandium alloy using the kinetic monte carlo method |
| url | https://hdl.handle.net/1822/26382 |
| visible | 1 |