An MD simulation of the atomistic processes of movement and agglomeration of vacancy clusters in nickel at 1300K

Computer simulations of molecular dynamics (MD) were used to study the clustering of vacancies in nickel. This was carried out in order to investigate the atomistic processes of vacancy agglomeration in irradiated metals. Simulations were carried out using DYNAMO ver. 8.5 code, by implementing the p...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Materials transactions. JIM 2000-09, Vol.41 (9), p.1168-1171
Hauptverfasser: Nishiguchi, R, Shimomura, Y
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 1171
container_issue 9
container_start_page 1168
container_title Materials transactions. JIM
container_volume 41
creator Nishiguchi, R
Shimomura, Y
description Computer simulations of molecular dynamics (MD) were used to study the clustering of vacancies in nickel. This was carried out in order to investigate the atomistic processes of vacancy agglomeration in irradiated metals. Simulations were carried out using DYNAMO ver. 8.5 code, by implementing the potential of the embedded atom method (EAM). Firstly, a perfect crystal was thermalized at 1300, 1500, 1700 and 1800K. Next, four triangular vacancy clusters whose sizes were 10 were introduced on the (111) planes at randomly selected positions. Molecular dynamics simulations were performed using a very small time step of outputs to observe the atomistic processes of the movement of each vacancy. It was found that the vacancy clusters moved and agglomerated while maintaining the individual clusters. Thus, a vacancy did not evaporate from a cluster to be absorbed into a larger cluster. There were three different processes in the agglomeration of the vacancy clusters. One was an atom caged in a tetrahedral structure of vacancies moved to another lattice site. Another was an atom caged in a octahedral structure of vacancies moved to another lattice site. The other was an atom moved along a < 110 > row.
format Article
fullrecord <record><control><sourceid>proquest</sourceid><recordid>TN_cdi_proquest_miscellaneous_27628663</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>27628663</sourcerecordid><originalsourceid>FETCH-proquest_miscellaneous_276286633</originalsourceid><addsrcrecordid>eNqNjTsLwjAUhTMoWB__4U5uhaSV2I7iA0Hc3EuIV43mUXvTgv_eCuLsdIZzvvMNWMJLIVNRZGLExkR3zqUoi0XC6pWH4wbIuNaqaIKHcIF4Q1AxOEPRaKiboJEI6VO50KFDH0H5M6jr1QaHzQ_slFZev0DbliI2BMaDN_qBtv8DkXN-mLLhRVnC2TcnbL7bntb7tNc8W6RY9VqN1iqPoaUqW8qskDLP_x6-AeOdTKI</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>27628663</pqid></control><display><type>article</type><title>An MD simulation of the atomistic processes of movement and agglomeration of vacancy clusters in nickel at 1300K</title><source>J-STAGE Free</source><creator>Nishiguchi, R ; Shimomura, Y</creator><creatorcontrib>Nishiguchi, R ; Shimomura, Y</creatorcontrib><description>Computer simulations of molecular dynamics (MD) were used to study the clustering of vacancies in nickel. This was carried out in order to investigate the atomistic processes of vacancy agglomeration in irradiated metals. Simulations were carried out using DYNAMO ver. 8.5 code, by implementing the potential of the embedded atom method (EAM). Firstly, a perfect crystal was thermalized at 1300, 1500, 1700 and 1800K. Next, four triangular vacancy clusters whose sizes were 10 were introduced on the (111) planes at randomly selected positions. Molecular dynamics simulations were performed using a very small time step of outputs to observe the atomistic processes of the movement of each vacancy. It was found that the vacancy clusters moved and agglomerated while maintaining the individual clusters. Thus, a vacancy did not evaporate from a cluster to be absorbed into a larger cluster. There were three different processes in the agglomeration of the vacancy clusters. One was an atom caged in a tetrahedral structure of vacancies moved to another lattice site. Another was an atom caged in a octahedral structure of vacancies moved to another lattice site. The other was an atom moved along a &lt; 110 &gt; row.</description><identifier>ISSN: 0916-1821</identifier><language>eng</language><ispartof>Materials transactions. JIM, 2000-09, Vol.41 (9), p.1168-1171</ispartof><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784</link.rule.ids></links><search><creatorcontrib>Nishiguchi, R</creatorcontrib><creatorcontrib>Shimomura, Y</creatorcontrib><title>An MD simulation of the atomistic processes of movement and agglomeration of vacancy clusters in nickel at 1300K</title><title>Materials transactions. JIM</title><description>Computer simulations of molecular dynamics (MD) were used to study the clustering of vacancies in nickel. This was carried out in order to investigate the atomistic processes of vacancy agglomeration in irradiated metals. Simulations were carried out using DYNAMO ver. 8.5 code, by implementing the potential of the embedded atom method (EAM). Firstly, a perfect crystal was thermalized at 1300, 1500, 1700 and 1800K. Next, four triangular vacancy clusters whose sizes were 10 were introduced on the (111) planes at randomly selected positions. Molecular dynamics simulations were performed using a very small time step of outputs to observe the atomistic processes of the movement of each vacancy. It was found that the vacancy clusters moved and agglomerated while maintaining the individual clusters. Thus, a vacancy did not evaporate from a cluster to be absorbed into a larger cluster. There were three different processes in the agglomeration of the vacancy clusters. One was an atom caged in a tetrahedral structure of vacancies moved to another lattice site. Another was an atom caged in a octahedral structure of vacancies moved to another lattice site. The other was an atom moved along a &lt; 110 &gt; row.</description><issn>0916-1821</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2000</creationdate><recordtype>article</recordtype><recordid>eNqNjTsLwjAUhTMoWB__4U5uhaSV2I7iA0Hc3EuIV43mUXvTgv_eCuLsdIZzvvMNWMJLIVNRZGLExkR3zqUoi0XC6pWH4wbIuNaqaIKHcIF4Q1AxOEPRaKiboJEI6VO50KFDH0H5M6jr1QaHzQ_slFZev0DbliI2BMaDN_qBtv8DkXN-mLLhRVnC2TcnbL7bntb7tNc8W6RY9VqN1iqPoaUqW8qskDLP_x6-AeOdTKI</recordid><startdate>20000901</startdate><enddate>20000901</enddate><creator>Nishiguchi, R</creator><creator>Shimomura, Y</creator><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20000901</creationdate><title>An MD simulation of the atomistic processes of movement and agglomeration of vacancy clusters in nickel at 1300K</title><author>Nishiguchi, R ; Shimomura, Y</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-proquest_miscellaneous_276286633</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2000</creationdate><toplevel>online_resources</toplevel><creatorcontrib>Nishiguchi, R</creatorcontrib><creatorcontrib>Shimomura, Y</creatorcontrib><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Materials transactions. JIM</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Nishiguchi, R</au><au>Shimomura, Y</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>An MD simulation of the atomistic processes of movement and agglomeration of vacancy clusters in nickel at 1300K</atitle><jtitle>Materials transactions. JIM</jtitle><date>2000-09-01</date><risdate>2000</risdate><volume>41</volume><issue>9</issue><spage>1168</spage><epage>1171</epage><pages>1168-1171</pages><issn>0916-1821</issn><abstract>Computer simulations of molecular dynamics (MD) were used to study the clustering of vacancies in nickel. This was carried out in order to investigate the atomistic processes of vacancy agglomeration in irradiated metals. Simulations were carried out using DYNAMO ver. 8.5 code, by implementing the potential of the embedded atom method (EAM). Firstly, a perfect crystal was thermalized at 1300, 1500, 1700 and 1800K. Next, four triangular vacancy clusters whose sizes were 10 were introduced on the (111) planes at randomly selected positions. Molecular dynamics simulations were performed using a very small time step of outputs to observe the atomistic processes of the movement of each vacancy. It was found that the vacancy clusters moved and agglomerated while maintaining the individual clusters. Thus, a vacancy did not evaporate from a cluster to be absorbed into a larger cluster. There were three different processes in the agglomeration of the vacancy clusters. One was an atom caged in a tetrahedral structure of vacancies moved to another lattice site. Another was an atom caged in a octahedral structure of vacancies moved to another lattice site. The other was an atom moved along a &lt; 110 &gt; row.</abstract></addata></record>
fulltext fulltext
identifier ISSN: 0916-1821
ispartof Materials transactions. JIM, 2000-09, Vol.41 (9), p.1168-1171
issn 0916-1821
language eng
recordid cdi_proquest_miscellaneous_27628663
source J-STAGE Free
title An MD simulation of the atomistic processes of movement and agglomeration of vacancy clusters in nickel at 1300K
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-25T03%3A02%3A14IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=An%20MD%20simulation%20of%20the%20atomistic%20processes%20of%20movement%20and%20agglomeration%20of%20vacancy%20clusters%20in%20nickel%20at%201300K&rft.jtitle=Materials%20transactions.%20JIM&rft.au=Nishiguchi,%20R&rft.date=2000-09-01&rft.volume=41&rft.issue=9&rft.spage=1168&rft.epage=1171&rft.pages=1168-1171&rft.issn=0916-1821&rft_id=info:doi/&rft_dat=%3Cproquest%3E27628663%3C/proquest%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=27628663&rft_id=info:pmid/&rfr_iscdi=true