Pressure-induced Structures and Structural Evolution in Iron
Autor(a) principal: | |
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Data de Publicação: | 2015 |
Outros Autores: | , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Materials research (São Carlos. Online) |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392015000700078 |
Resumo: | Molecular-dynamic simulations have been used to study the structure evolution in iron melts rapidly cooled under different pressures. An extreme cooling rate (4×1012K/s) was adopted in the cooling process. The simulation results show that at the ambient pressure, martensitic transformation happened. However, at a pressure of 1.4GPa, the system passes from bcc structure to a less closed packed structure which is composed of both full icosahedra clusters and bcc structure. With the increase of pressures, an amorphous state was observed, and a compacted local structure with more defected icosahedra is obtained. This work contributes to a better understanding about the dynamics of phase transitions in iron under high pressure, especially during the extremely fast cooling process. |
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Pressure-induced Structures and Structural Evolution in Ironmolecular-dynamicspressureironstructureMolecular-dynamic simulations have been used to study the structure evolution in iron melts rapidly cooled under different pressures. An extreme cooling rate (4×1012K/s) was adopted in the cooling process. The simulation results show that at the ambient pressure, martensitic transformation happened. However, at a pressure of 1.4GPa, the system passes from bcc structure to a less closed packed structure which is composed of both full icosahedra clusters and bcc structure. With the increase of pressures, an amorphous state was observed, and a compacted local structure with more defected icosahedra is obtained. This work contributes to a better understanding about the dynamics of phase transitions in iron under high pressure, especially during the extremely fast cooling process.ABM, ABC, ABPol2015-11-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392015000700078Materials Research v.18 suppl.1 2015reponame:Materials research (São Carlos. Online)instname:Universidade Federal de São Carlos (UFSCAR)instacron:ABM ABC ABPOL10.1590/1516-1439.327014info:eu-repo/semantics/openAccessQi,LiFeng,ShidongXu,NaMa,MingzhenJing,QinLi,GongLiu,Ripingeng2015-12-03T00:00:00Zoai:scielo:S1516-14392015000700078Revistahttp://www.scielo.br/mrPUBhttps://old.scielo.br/oai/scielo-oai.phpdedz@power.ufscar.br1980-53731516-1439opendoar:2015-12-03T00:00Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)false |
dc.title.none.fl_str_mv |
Pressure-induced Structures and Structural Evolution in Iron |
title |
Pressure-induced Structures and Structural Evolution in Iron |
spellingShingle |
Pressure-induced Structures and Structural Evolution in Iron Qi,Li molecular-dynamics pressure iron structure |
title_short |
Pressure-induced Structures and Structural Evolution in Iron |
title_full |
Pressure-induced Structures and Structural Evolution in Iron |
title_fullStr |
Pressure-induced Structures and Structural Evolution in Iron |
title_full_unstemmed |
Pressure-induced Structures and Structural Evolution in Iron |
title_sort |
Pressure-induced Structures and Structural Evolution in Iron |
author |
Qi,Li |
author_facet |
Qi,Li Feng,Shidong Xu,Na Ma,Mingzhen Jing,Qin Li,Gong Liu,Riping |
author_role |
author |
author2 |
Feng,Shidong Xu,Na Ma,Mingzhen Jing,Qin Li,Gong Liu,Riping |
author2_role |
author author author author author author |
dc.contributor.author.fl_str_mv |
Qi,Li Feng,Shidong Xu,Na Ma,Mingzhen Jing,Qin Li,Gong Liu,Riping |
dc.subject.por.fl_str_mv |
molecular-dynamics pressure iron structure |
topic |
molecular-dynamics pressure iron structure |
description |
Molecular-dynamic simulations have been used to study the structure evolution in iron melts rapidly cooled under different pressures. An extreme cooling rate (4×1012K/s) was adopted in the cooling process. The simulation results show that at the ambient pressure, martensitic transformation happened. However, at a pressure of 1.4GPa, the system passes from bcc structure to a less closed packed structure which is composed of both full icosahedra clusters and bcc structure. With the increase of pressures, an amorphous state was observed, and a compacted local structure with more defected icosahedra is obtained. This work contributes to a better understanding about the dynamics of phase transitions in iron under high pressure, especially during the extremely fast cooling process. |
publishDate |
2015 |
dc.date.none.fl_str_mv |
2015-11-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392015000700078 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392015000700078 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/1516-1439.327014 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
ABM, ABC, ABPol |
publisher.none.fl_str_mv |
ABM, ABC, ABPol |
dc.source.none.fl_str_mv |
Materials Research v.18 suppl.1 2015 reponame:Materials research (São Carlos. Online) instname:Universidade Federal de São Carlos (UFSCAR) instacron:ABM ABC ABPOL |
instname_str |
Universidade Federal de São Carlos (UFSCAR) |
instacron_str |
ABM ABC ABPOL |
institution |
ABM ABC ABPOL |
reponame_str |
Materials research (São Carlos. Online) |
collection |
Materials research (São Carlos. Online) |
repository.name.fl_str_mv |
Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR) |
repository.mail.fl_str_mv |
dedz@power.ufscar.br |
_version_ |
1754212666289684480 |