Molecular-dynamics study of mechanical properties of copper

Molecular-dynamics study of mechanical properties of copper

Mechanical properties of copper have been studied using effective-medium theory and Molecular-Dynamics simulations. At room temperature we calculate the tensile moduli of systems that are elongated along different crystal orientations. These moduli are in very good agreement with the experimental va...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Europhysics letters 1998-02, Vol.41 (3), p.273-278
Hauptverfasser: Heino, P, Häkkinen, H, Kaski, K
Format: Artikel
Sprache:eng
Schlagworte:
34.20.Cf
62.20.-x
81.05.Bx
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 278
container_issue 3
container_start_page 273
container_title Europhysics letters
container_volume 41
creator Heino, P
Häkkinen, H
Kaski, K
description Mechanical properties of copper have been studied using effective-medium theory and Molecular-Dynamics simulations. At room temperature we calculate the tensile moduli of systems that are elongated along different crystal orientations. These moduli are in very good agreement with the experimental values, the difference being less than $6\%$. The elastic constants obtained from simulations were also in good agreement with experiments. In addition, the point of maximum stress is found to be of the same order of magnitude as the experimental value. Also crack propagation in systems with periodic boundaries has been studied and micro-voids are seen to generate near the crack tip. Crack propagation is found to be a result of coalescing micro-voids.
doi_str_mv 10.1209/epl/i1998-00142-5
format Article
fullrecord <record><control><sourceid>istex_iop_p</sourceid><recordid>TN_cdi_istex_primary_ark_67375_80W_9T6R3BPQ_5</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>ark_67375_80W_9T6R3BPQ_5</sourcerecordid><originalsourceid>FETCH-LOGICAL-c395t-b1c673b0aa2333afc3da8e43f3264ede2804401bc90254ef78905471bcb104633</originalsourceid><addsrcrecordid>eNqNkE1LAzEQhoMoWKs_wNteBWPzuZvgSYtfUPGDischm01wddsNyRbsv3e3LV68eBpm5nmHeV-ETim5oIzoiQvNpKZaK0wIFQzLPTSiTOVYKCn20YgwLbEkhTxERyl99hBVNB-hy8e2cXbVmIir9dIsapuy1K2qddb6bOHsh1nW1jRZiG1wsatdGha2DX13jA68aZI72dUxeru9mU_v8ezp7mF6NcOWa9nhktq84CUxhnHOjbe8MsoJ7jnLhascU0QIQkurCZPC-UJpIkXRD0pKRM75GNHtXRvblKLzEGK9MHENlMDgHnr3sHEPG_cgew3eaurUue9fgYlf0D9TSFDkHfQ8f-XXzy8b_nzHt-Ff58_-4kPGMGQMggIHVnAIlec_qy537A</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Molecular-dynamics study of mechanical properties of copper</title><source>IOP Publishing Journals</source><creator>Heino, P ; Häkkinen, H ; Kaski, K</creator><creatorcontrib>Heino, P ; Häkkinen, H ; Kaski, K</creatorcontrib><description>Mechanical properties of copper have been studied using effective-medium theory and Molecular-Dynamics simulations. At room temperature we calculate the tensile moduli of systems that are elongated along different crystal orientations. These moduli are in very good agreement with the experimental values, the difference being less than $6\%$. The elastic constants obtained from simulations were also in good agreement with experiments. In addition, the point of maximum stress is found to be of the same order of magnitude as the experimental value. Also crack propagation in systems with periodic boundaries has been studied and micro-voids are seen to generate near the crack tip. Crack propagation is found to be a result of coalescing micro-voids.</description><identifier>ISSN: 0295-5075</identifier><identifier>EISSN: 1286-4854</identifier><identifier>DOI: 10.1209/epl/i1998-00142-5</identifier><language>eng</language><publisher>IOP Publishing</publisher><subject>34.20.Cf ; 62.20.-x ; 81.05.Bx</subject><ispartof>Europhysics letters, 1998-02, Vol.41 (3), p.273-278</ispartof><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c395t-b1c673b0aa2333afc3da8e43f3264ede2804401bc90254ef78905471bcb104633</citedby><cites>FETCH-LOGICAL-c395t-b1c673b0aa2333afc3da8e43f3264ede2804401bc90254ef78905471bcb104633</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://iopscience.iop.org/article/10.1209/epl/i1998-00142-5/pdf$$EPDF$$P50$$Giop$$H</linktopdf><link.rule.ids>314,776,780,27901,27902,53885</link.rule.ids></links><search><creatorcontrib>Heino, P</creatorcontrib><creatorcontrib>Häkkinen, H</creatorcontrib><creatorcontrib>Kaski, K</creatorcontrib><title>Molecular-dynamics study of mechanical properties of copper</title><title>Europhysics letters</title><description>Mechanical properties of copper have been studied using effective-medium theory and Molecular-Dynamics simulations. At room temperature we calculate the tensile moduli of systems that are elongated along different crystal orientations. These moduli are in very good agreement with the experimental values, the difference being less than $6\%$. The elastic constants obtained from simulations were also in good agreement with experiments. In addition, the point of maximum stress is found to be of the same order of magnitude as the experimental value. Also crack propagation in systems with periodic boundaries has been studied and micro-voids are seen to generate near the crack tip. Crack propagation is found to be a result of coalescing micro-voids.</description><subject>34.20.Cf</subject><subject>62.20.-x</subject><subject>81.05.Bx</subject><issn>0295-5075</issn><issn>1286-4854</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1998</creationdate><recordtype>article</recordtype><recordid>eNqNkE1LAzEQhoMoWKs_wNteBWPzuZvgSYtfUPGDischm01wddsNyRbsv3e3LV68eBpm5nmHeV-ETim5oIzoiQvNpKZaK0wIFQzLPTSiTOVYKCn20YgwLbEkhTxERyl99hBVNB-hy8e2cXbVmIir9dIsapuy1K2qddb6bOHsh1nW1jRZiG1wsatdGha2DX13jA68aZI72dUxeru9mU_v8ezp7mF6NcOWa9nhktq84CUxhnHOjbe8MsoJ7jnLhascU0QIQkurCZPC-UJpIkXRD0pKRM75GNHtXRvblKLzEGK9MHENlMDgHnr3sHEPG_cgew3eaurUue9fgYlf0D9TSFDkHfQ8f-XXzy8b_nzHt-Ff58_-4kPGMGQMggIHVnAIlec_qy537A</recordid><startdate>19980201</startdate><enddate>19980201</enddate><creator>Heino, P</creator><creator>Häkkinen, H</creator><creator>Kaski, K</creator><general>IOP Publishing</general><general>EDP Sciences</general><scope>BSCLL</scope><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>19980201</creationdate><title>Molecular-dynamics study of mechanical properties of copper</title><author>Heino, P ; Häkkinen, H ; Kaski, K</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c395t-b1c673b0aa2333afc3da8e43f3264ede2804401bc90254ef78905471bcb104633</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1998</creationdate><topic>34.20.Cf</topic><topic>62.20.-x</topic><topic>81.05.Bx</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Heino, P</creatorcontrib><creatorcontrib>Häkkinen, H</creatorcontrib><creatorcontrib>Kaski, K</creatorcontrib><collection>Istex</collection><collection>CrossRef</collection><jtitle>Europhysics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Heino, P</au><au>Häkkinen, H</au><au>Kaski, K</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Molecular-dynamics study of mechanical properties of copper</atitle><jtitle>Europhysics letters</jtitle><date>1998-02-01</date><risdate>1998</risdate><volume>41</volume><issue>3</issue><spage>273</spage><epage>278</epage><pages>273-278</pages><issn>0295-5075</issn><eissn>1286-4854</eissn><abstract>Mechanical properties of copper have been studied using effective-medium theory and Molecular-Dynamics simulations. At room temperature we calculate the tensile moduli of systems that are elongated along different crystal orientations. These moduli are in very good agreement with the experimental values, the difference being less than $6\%$. The elastic constants obtained from simulations were also in good agreement with experiments. In addition, the point of maximum stress is found to be of the same order of magnitude as the experimental value. Also crack propagation in systems with periodic boundaries has been studied and micro-voids are seen to generate near the crack tip. Crack propagation is found to be a result of coalescing micro-voids.</abstract><pub>IOP Publishing</pub><doi>10.1209/epl/i1998-00142-5</doi><tpages>6</tpages><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 0295-5075
ispartof Europhysics letters, 1998-02, Vol.41 (3), p.273-278
issn 0295-5075
1286-4854
language eng
recordid cdi_istex_primary_ark_67375_80W_9T6R3BPQ_5
source IOP Publishing Journals
subjects 34.20.Cf
62.20.-x
81.05.Bx
title Molecular-dynamics study of mechanical properties of copper
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-02T14%3A22%3A41IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-istex_iop_p&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Molecular-dynamics%20study%20of%20mechanical%20properties%20of%20copper&rft.jtitle=Europhysics%20letters&rft.au=Heino,%20P&rft.date=1998-02-01&rft.volume=41&rft.issue=3&rft.spage=273&rft.epage=278&rft.pages=273-278&rft.issn=0295-5075&rft.eissn=1286-4854&rft_id=info:doi/10.1209/epl/i1998-00142-5&rft_dat=%3Cistex_iop_p%3Eark_67375_80W_9T6R3BPQ_5%3C/istex_iop_p%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true