Thermal Conduction in a Single Polyethylene Chain Using Molecular Dynamics Simulations

Research on the thermal conduction in a single polymer chain is significant for the improvement of the thermal property of bulk polymer materials. We calculate the thermal conductivity of a single polyethylene （PE） chain by using both the Green-Kubo approach and a nonequilibrium molecular dynamics s...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Chinese physics letters 2014-08, Vol.31 (8), p.119-122
1. Verfasser:	胡帼杰曹炳阳李元伟
Format:	Artikel
Sprache:	eng
Schlagworte:	Chain dynamics Chains (polymeric) Heat transfer Insulators Molecular dynamics Polyethylenes Simulation Thermal conductivity 分子动力学模拟单链热传导热导率聚乙烯聚合物材料聚合物链非平衡分子动力学
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

container_end_page	122
container_issue	8
container_start_page	119
container_title	Chinese physics letters
container_volume	31
creator	胡帼杰曹炳阳李元伟
description	Research on the thermal conduction in a single polymer chain is significant for the improvement of the thermal property of bulk polymer materials. We calculate the thermal conductivity of a single polyethylene （PE） chain by using both the Green-Kubo approach and a nonequilibrium molecular dynamics simulation method. The results suggest that the thermal conductivity of an individual polymer chain is very high although bulk PE is a thermal insulator, even divergent in our case. Moreover, the thermal conductivity of PE chains is observed to increase with the chain length.
doi_str_mv	10.1088/0256-307X/31/8/086501
format	Article
fullrecord	<record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_1825443040</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><cqvip_id>661976444</cqvip_id><sourcerecordid>1825443040</sourcerecordid><originalsourceid>FETCH-LOGICAL-c313t-3dfa093f4ec8b4430b034098f63b80e4cef9b23b63d4245f55d395a5fa8cf1853</originalsourceid><addsrcrecordid>eNo9UF1LwzAUDaLgnP4EIfjkS13SJF36KPUTJgpu4ltI02StpMnWtA_996Zu-HQ593xc7gHgGqM7jDhfoJRlCUHL7wXBiwh5xhA-ATO8pDghjKJTMPvXnIOLEH4QwphjPANf61p3rbSw8K4aVN94BxsHJfxs3NZq-OHtqPt6tNppWNQycpsQKfjmrVaDlR18GJ1sGxWipY2LKSJcgjMjbdBXxzkHm6fHdfGSrN6fX4v7VaIIJn1CKiNRTgzVipeUElQiQlHOTUZKjjRV2uRlSsqMVDSlzDBWkZxJZiRXBnNG5uD2kLvr_H7QoRdtE5S2VjrthyAwT9mUS1GUsoNUdT6EThux65pWdqPASEw9iqkjMXUkCBYR_vUYfTdHX-3ddh9__zdmGc6XGY0HfgEyd3He</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>1825443040</pqid></control><display><type>article</type><title>Thermal Conduction in a Single Polyethylene Chain Using Molecular Dynamics Simulations</title><source>IOP Publishing Journals</source><source>Institute of Physics (IOP) Journals - HEAL-Link</source><creator>胡帼杰曹炳阳李元伟</creator><creatorcontrib>胡帼杰曹炳阳李元伟</creatorcontrib><description>Research on the thermal conduction in a single polymer chain is significant for the improvement of the thermal property of bulk polymer materials. We calculate the thermal conductivity of a single polyethylene （PE） chain by using both the Green-Kubo approach and a nonequilibrium molecular dynamics simulation method. The results suggest that the thermal conductivity of an individual polymer chain is very high although bulk PE is a thermal insulator, even divergent in our case. Moreover, the thermal conductivity of PE chains is observed to increase with the chain length.</description><identifier>ISSN: 0256-307X</identifier><identifier>EISSN: 1741-3540</identifier><identifier>DOI: 10.1088/0256-307X/31/8/086501</identifier><language>eng</language><subject>Chain dynamics ; Chains (polymeric) ; Heat transfer ; Insulators ; Molecular dynamics ; Polyethylenes ; Simulation ; Thermal conductivity ; 分子动力学模拟 ; 单链 ; 热传导 ; 热导率 ; 聚乙烯 ; 聚合物材料 ; 聚合物链 ; 非平衡分子动力学</subject><ispartof>Chinese physics letters, 2014-08, Vol.31 (8), p.119-122</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c313t-3dfa093f4ec8b4430b034098f63b80e4cef9b23b63d4245f55d395a5fa8cf1853</citedby><cites>FETCH-LOGICAL-c313t-3dfa093f4ec8b4430b034098f63b80e4cef9b23b63d4245f55d395a5fa8cf1853</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Uhttp://image.cqvip.com/vip1000/qk/84212X/84212X.jpg</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>胡帼杰曹炳阳李元伟</creatorcontrib><title>Thermal Conduction in a Single Polyethylene Chain Using Molecular Dynamics Simulations</title><title>Chinese physics letters</title><addtitle>Chinese Physics Letters</addtitle><description>Research on the thermal conduction in a single polymer chain is significant for the improvement of the thermal property of bulk polymer materials. We calculate the thermal conductivity of a single polyethylene （PE） chain by using both the Green-Kubo approach and a nonequilibrium molecular dynamics simulation method. The results suggest that the thermal conductivity of an individual polymer chain is very high although bulk PE is a thermal insulator, even divergent in our case. Moreover, the thermal conductivity of PE chains is observed to increase with the chain length.</description><subject>Chain dynamics</subject><subject>Chains (polymeric)</subject><subject>Heat transfer</subject><subject>Insulators</subject><subject>Molecular dynamics</subject><subject>Polyethylenes</subject><subject>Simulation</subject><subject>Thermal conductivity</subject><subject>分子动力学模拟</subject><subject>单链</subject><subject>热传导</subject><subject>热导率</subject><subject>聚乙烯</subject><subject>聚合物材料</subject><subject>聚合物链</subject><subject>非平衡分子动力学</subject><issn>0256-307X</issn><issn>1741-3540</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNo9UF1LwzAUDaLgnP4EIfjkS13SJF36KPUTJgpu4ltI02StpMnWtA_996Zu-HQ593xc7gHgGqM7jDhfoJRlCUHL7wXBiwh5xhA-ATO8pDghjKJTMPvXnIOLEH4QwphjPANf61p3rbSw8K4aVN94BxsHJfxs3NZq-OHtqPt6tNppWNQycpsQKfjmrVaDlR18GJ1sGxWipY2LKSJcgjMjbdBXxzkHm6fHdfGSrN6fX4v7VaIIJn1CKiNRTgzVipeUElQiQlHOTUZKjjRV2uRlSsqMVDSlzDBWkZxJZiRXBnNG5uD2kLvr_H7QoRdtE5S2VjrthyAwT9mUS1GUsoNUdT6EThux65pWdqPASEw9iqkjMXUkCBYR_vUYfTdHX-3ddh9__zdmGc6XGY0HfgEyd3He</recordid><startdate>20140801</startdate><enddate>20140801</enddate><creator>胡帼杰曹炳阳李元伟</creator><scope>2RA</scope><scope>92L</scope><scope>CQIGP</scope><scope>~WA</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>20140801</creationdate><title>Thermal Conduction in a Single Polyethylene Chain Using Molecular Dynamics Simulations</title><author>胡帼杰曹炳阳李元伟</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c313t-3dfa093f4ec8b4430b034098f63b80e4cef9b23b63d4245f55d395a5fa8cf1853</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Chain dynamics</topic><topic>Chains (polymeric)</topic><topic>Heat transfer</topic><topic>Insulators</topic><topic>Molecular dynamics</topic><topic>Polyethylenes</topic><topic>Simulation</topic><topic>Thermal conductivity</topic><topic>分子动力学模拟</topic><topic>单链</topic><topic>热传导</topic><topic>热导率</topic><topic>聚乙烯</topic><topic>聚合物材料</topic><topic>聚合物链</topic><topic>非平衡分子动力学</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>胡帼杰曹炳阳李元伟</creatorcontrib><collection>中文科技期刊数据库</collection><collection>中文科技期刊数据库-CALIS站点</collection><collection>中文科技期刊数据库-7.0平台</collection><collection>中文科技期刊数据库- 镜像站点</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Chinese physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>胡帼杰曹炳阳李元伟</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Thermal Conduction in a Single Polyethylene Chain Using Molecular Dynamics Simulations</atitle><jtitle>Chinese physics letters</jtitle><addtitle>Chinese Physics Letters</addtitle><date>2014-08-01</date><risdate>2014</risdate><volume>31</volume><issue>8</issue><spage>119</spage><epage>122</epage><pages>119-122</pages><issn>0256-307X</issn><eissn>1741-3540</eissn><abstract>Research on the thermal conduction in a single polymer chain is significant for the improvement of the thermal property of bulk polymer materials. We calculate the thermal conductivity of a single polyethylene （PE） chain by using both the Green-Kubo approach and a nonequilibrium molecular dynamics simulation method. The results suggest that the thermal conductivity of an individual polymer chain is very high although bulk PE is a thermal insulator, even divergent in our case. Moreover, the thermal conductivity of PE chains is observed to increase with the chain length.</abstract><doi>10.1088/0256-307X/31/8/086501</doi><tpages>4</tpages></addata></record>
fulltext	fulltext
identifier	ISSN: 0256-307X
ispartof	Chinese physics letters, 2014-08, Vol.31 (8), p.119-122
issn	0256-307X 1741-3540
language	eng
recordid	cdi_proquest_miscellaneous_1825443040
source	IOP Publishing Journals; Institute of Physics (IOP) Journals - HEAL-Link
subjects	Chain dynamics Chains (polymeric) Heat transfer Insulators Molecular dynamics Polyethylenes Simulation Thermal conductivity 分子动力学模拟单链热传导热导率聚乙烯聚合物材料聚合物链非平衡分子动力学
title	Thermal Conduction in a Single Polyethylene Chain Using Molecular Dynamics Simulations
url	https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-06T07%3A12%3A25IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Thermal%20Conduction%20in%20a%20Single%20Polyethylene%20Chain%20Using%20Molecular%20Dynamics%20Simulations&rft.jtitle=Chinese%20physics%20letters&rft.au=%E8%83%A1%E5%B8%BC%E6%9D%B0%20%E6%9B%B9%E7%82%B3%E9%98%B3%20%E6%9D%8E%E5%85%83%E4%BC%9F&rft.date=2014-08-01&rft.volume=31&rft.issue=8&rft.spage=119&rft.epage=122&rft.pages=119-122&rft.issn=0256-307X&rft.eissn=1741-3540&rft_id=info:doi/10.1088/0256-307X/31/8/086501&rft_dat=%3Cproquest_cross%3E1825443040%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=1825443040&rft_id=info:pmid/&rft_cqvip_id=661976444&rfr_iscdi=true