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Experimental and multiscale modeling of thermal conductivity and elastic properties of PLA/expanded graphite polymer nanocomposites
► Poly-lactide/expanded graphite nanocomposites are fabricated. ► Thermal conductivity and elastic properties are characterized. ► Molecular dynamics simulations are used to evaluate expanded graphite properties. ► Experimental results are compared with hierarchical multiscale procedures. We develop...
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Published in: | Thermochimica acta 2013-01, Vol.552 (20), p.106-113 |
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creator | Mortazavi, Bohayra Hassouna, Fatima Laachachi, Abdelghani Rajabpour, Ali Ahzi, Said Chapron, David Toniazzo, Valérie Ruch, David |
description | ► Poly-lactide/expanded graphite nanocomposites are fabricated. ► Thermal conductivity and elastic properties are characterized. ► Molecular dynamics simulations are used to evaluate expanded graphite properties. ► Experimental results are compared with hierarchical multiscale procedures.
We developed experimental as well as theoretically based hierarchical multiscale procedures for the evaluation of effective elastic modulus and thermal conductivity of poly-lactide (PLA)/expanded graphite (EG) nanocomposites. The incorporation of EG fillers into PLA was carried out by a twin-screw micro-extruder. The dispersion/delamination of EG in PLA was studied using Raman spectroscopy, SEM and TEM. In the multiscale modeling, the thermal conductivity constants and stiffness tensor of EG were first acquired by the means of molecular dynamics (MD) simulations. Using the fillers’ properties obtained by the MD, we developed finite elements (FE) models to evaluate the effective thermal conductivity and elastic modulus of PLA/EG nanocomposites. Our results, for a wide range of temperatures revealed the efficiency in thermal and mechanical reinforcement of PLA by incorporation of EG nanoparticles. |
doi_str_mv | 10.1016/j.tca.2012.11.017 |
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We developed experimental as well as theoretically based hierarchical multiscale procedures for the evaluation of effective elastic modulus and thermal conductivity of poly-lactide (PLA)/expanded graphite (EG) nanocomposites. The incorporation of EG fillers into PLA was carried out by a twin-screw micro-extruder. The dispersion/delamination of EG in PLA was studied using Raman spectroscopy, SEM and TEM. In the multiscale modeling, the thermal conductivity constants and stiffness tensor of EG were first acquired by the means of molecular dynamics (MD) simulations. Using the fillers’ properties obtained by the MD, we developed finite elements (FE) models to evaluate the effective thermal conductivity and elastic modulus of PLA/EG nanocomposites. Our results, for a wide range of temperatures revealed the efficiency in thermal and mechanical reinforcement of PLA by incorporation of EG nanoparticles.</description><identifier>ISSN: 0040-6031</identifier><identifier>EISSN: 1872-762X</identifier><identifier>DOI: 10.1016/j.tca.2012.11.017</identifier><identifier>CODEN: THACAS</identifier><language>eng</language><publisher>Oxford: Elsevier B.V</publisher><subject>Chemical thermodynamics ; Chemistry ; Computer simulation ; delamination ; Elastic modulus ; Exact sciences and technology ; Expanded graphite ; Finite element method ; General and physical chemistry ; General. Theory ; graphene ; Graphite ; Heat transfer ; Mathematical analysis ; modulus of elasticity ; molecular dynamics ; Multiscale ; Nanocomposites ; nanoparticles ; Physics ; polymer nanocomposites ; Raman spectroscopy ; scanning electron microscopy ; temperature ; Thermal conductivity ; transmission electron microscopy</subject><ispartof>Thermochimica acta, 2013-01, Vol.552 (20), p.106-113</ispartof><rights>2012 Elsevier B.V.</rights><rights>2014 INIST-CNRS</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c418t-6b4ecdd9846c007f634357830e4e55b7b15d3645cfc5fb22373e76d936e2f7c43</citedby><cites>FETCH-LOGICAL-c418t-6b4ecdd9846c007f634357830e4e55b7b15d3645cfc5fb22373e76d936e2f7c43</cites><orcidid>0000-0002-0738-6626 ; 0000-0002-0353-9234</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,27903,27904</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=26790478$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://hal.science/hal-00771210$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Mortazavi, Bohayra</creatorcontrib><creatorcontrib>Hassouna, Fatima</creatorcontrib><creatorcontrib>Laachachi, Abdelghani</creatorcontrib><creatorcontrib>Rajabpour, Ali</creatorcontrib><creatorcontrib>Ahzi, Said</creatorcontrib><creatorcontrib>Chapron, David</creatorcontrib><creatorcontrib>Toniazzo, Valérie</creatorcontrib><creatorcontrib>Ruch, David</creatorcontrib><title>Experimental and multiscale modeling of thermal conductivity and elastic properties of PLA/expanded graphite polymer nanocomposites</title><title>Thermochimica acta</title><description>► Poly-lactide/expanded graphite nanocomposites are fabricated. ► Thermal conductivity and elastic properties are characterized. ► Molecular dynamics simulations are used to evaluate expanded graphite properties. ► Experimental results are compared with hierarchical multiscale procedures.
We developed experimental as well as theoretically based hierarchical multiscale procedures for the evaluation of effective elastic modulus and thermal conductivity of poly-lactide (PLA)/expanded graphite (EG) nanocomposites. The incorporation of EG fillers into PLA was carried out by a twin-screw micro-extruder. The dispersion/delamination of EG in PLA was studied using Raman spectroscopy, SEM and TEM. In the multiscale modeling, the thermal conductivity constants and stiffness tensor of EG were first acquired by the means of molecular dynamics (MD) simulations. Using the fillers’ properties obtained by the MD, we developed finite elements (FE) models to evaluate the effective thermal conductivity and elastic modulus of PLA/EG nanocomposites. Our results, for a wide range of temperatures revealed the efficiency in thermal and mechanical reinforcement of PLA by incorporation of EG nanoparticles.</description><subject>Chemical thermodynamics</subject><subject>Chemistry</subject><subject>Computer simulation</subject><subject>delamination</subject><subject>Elastic modulus</subject><subject>Exact sciences and technology</subject><subject>Expanded graphite</subject><subject>Finite element method</subject><subject>General and physical chemistry</subject><subject>General. Theory</subject><subject>graphene</subject><subject>Graphite</subject><subject>Heat transfer</subject><subject>Mathematical analysis</subject><subject>modulus of elasticity</subject><subject>molecular dynamics</subject><subject>Multiscale</subject><subject>Nanocomposites</subject><subject>nanoparticles</subject><subject>Physics</subject><subject>polymer nanocomposites</subject><subject>Raman spectroscopy</subject><subject>scanning electron microscopy</subject><subject>temperature</subject><subject>Thermal conductivity</subject><subject>transmission electron microscopy</subject><issn>0040-6031</issn><issn>1872-762X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNp9kUGL1DAUx4soOK5-AE_2Iuih3bw0TTp4GpbVFQYUdMFbyCSvMxnSpiaZYefsFze1yx49BR6_9yPv_y-Kt0BqIMCvj3XSqqYEaA1QExDPihV0glaC01_PixUhjFScNPCyeBXjkZBMdmRV_Ll9mDDYAcekXKlGUw4nl2zUymE5eIPOjvvS92U6YBgyov1oTjrZs02Xfzw6FZPV5RR8NiWLcca_bzfX-DBlAE25D2o62ITl5N1lwFCOavTaD5OPeRpfFy965SK-eXyvivvPtz9v7qrtty9fbzbbSjPoUsV3DLUx645xTYjoecOaVnQNQYZtuxM7aE3DWat73fY7ShvRoOBm3XCkvdCsuSo-Lt6DcnLKR6twkV5ZebfZynmWrQIokDNk9sPC5rN-nzAmOeRQ0Dk1oj9FCVwAp2vCREZhQXXwMQbsn9xA5FyOPMpcjpzLkQAyl5N33j_q1Rx1H9SobXxapFzM6i5z7xauV16qfcjM_Y8s4nOBgrJ1Jj4tBObkzhaDjNriqNHYgDpJ4-1__vEXVSivPg</recordid><startdate>20130101</startdate><enddate>20130101</enddate><creator>Mortazavi, Bohayra</creator><creator>Hassouna, Fatima</creator><creator>Laachachi, Abdelghani</creator><creator>Rajabpour, Ali</creator><creator>Ahzi, Said</creator><creator>Chapron, David</creator><creator>Toniazzo, Valérie</creator><creator>Ruch, David</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>FBQ</scope><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SP</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0002-0738-6626</orcidid><orcidid>https://orcid.org/0000-0002-0353-9234</orcidid></search><sort><creationdate>20130101</creationdate><title>Experimental and multiscale modeling of thermal conductivity and elastic properties of PLA/expanded graphite polymer nanocomposites</title><author>Mortazavi, Bohayra ; Hassouna, Fatima ; Laachachi, Abdelghani ; Rajabpour, Ali ; Ahzi, Said ; Chapron, David ; Toniazzo, Valérie ; Ruch, David</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c418t-6b4ecdd9846c007f634357830e4e55b7b15d3645cfc5fb22373e76d936e2f7c43</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Chemical thermodynamics</topic><topic>Chemistry</topic><topic>Computer simulation</topic><topic>delamination</topic><topic>Elastic modulus</topic><topic>Exact sciences and technology</topic><topic>Expanded graphite</topic><topic>Finite element method</topic><topic>General and physical chemistry</topic><topic>General. Theory</topic><topic>graphene</topic><topic>Graphite</topic><topic>Heat transfer</topic><topic>Mathematical analysis</topic><topic>modulus of elasticity</topic><topic>molecular dynamics</topic><topic>Multiscale</topic><topic>Nanocomposites</topic><topic>nanoparticles</topic><topic>Physics</topic><topic>polymer nanocomposites</topic><topic>Raman spectroscopy</topic><topic>scanning electron microscopy</topic><topic>temperature</topic><topic>Thermal conductivity</topic><topic>transmission electron microscopy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Mortazavi, Bohayra</creatorcontrib><creatorcontrib>Hassouna, Fatima</creatorcontrib><creatorcontrib>Laachachi, Abdelghani</creatorcontrib><creatorcontrib>Rajabpour, Ali</creatorcontrib><creatorcontrib>Ahzi, Said</creatorcontrib><creatorcontrib>Chapron, David</creatorcontrib><creatorcontrib>Toniazzo, Valérie</creatorcontrib><creatorcontrib>Ruch, David</creatorcontrib><collection>AGRIS</collection><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Electronics & Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Thermochimica acta</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Mortazavi, Bohayra</au><au>Hassouna, Fatima</au><au>Laachachi, Abdelghani</au><au>Rajabpour, Ali</au><au>Ahzi, Said</au><au>Chapron, David</au><au>Toniazzo, Valérie</au><au>Ruch, David</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Experimental and multiscale modeling of thermal conductivity and elastic properties of PLA/expanded graphite polymer nanocomposites</atitle><jtitle>Thermochimica acta</jtitle><date>2013-01-01</date><risdate>2013</risdate><volume>552</volume><issue>20</issue><spage>106</spage><epage>113</epage><pages>106-113</pages><issn>0040-6031</issn><eissn>1872-762X</eissn><coden>THACAS</coden><abstract>► Poly-lactide/expanded graphite nanocomposites are fabricated. ► Thermal conductivity and elastic properties are characterized. ► Molecular dynamics simulations are used to evaluate expanded graphite properties. ► Experimental results are compared with hierarchical multiscale procedures.
We developed experimental as well as theoretically based hierarchical multiscale procedures for the evaluation of effective elastic modulus and thermal conductivity of poly-lactide (PLA)/expanded graphite (EG) nanocomposites. The incorporation of EG fillers into PLA was carried out by a twin-screw micro-extruder. The dispersion/delamination of EG in PLA was studied using Raman spectroscopy, SEM and TEM. In the multiscale modeling, the thermal conductivity constants and stiffness tensor of EG were first acquired by the means of molecular dynamics (MD) simulations. Using the fillers’ properties obtained by the MD, we developed finite elements (FE) models to evaluate the effective thermal conductivity and elastic modulus of PLA/EG nanocomposites. Our results, for a wide range of temperatures revealed the efficiency in thermal and mechanical reinforcement of PLA by incorporation of EG nanoparticles.</abstract><cop>Oxford</cop><pub>Elsevier B.V</pub><doi>10.1016/j.tca.2012.11.017</doi><tpages>8</tpages><orcidid>https://orcid.org/0000-0002-0738-6626</orcidid><orcidid>https://orcid.org/0000-0002-0353-9234</orcidid></addata></record> |
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subjects | Chemical thermodynamics Chemistry Computer simulation delamination Elastic modulus Exact sciences and technology Expanded graphite Finite element method General and physical chemistry General. Theory graphene Graphite Heat transfer Mathematical analysis modulus of elasticity molecular dynamics Multiscale Nanocomposites nanoparticles Physics polymer nanocomposites Raman spectroscopy scanning electron microscopy temperature Thermal conductivity transmission electron microscopy |
title | Experimental and multiscale modeling of thermal conductivity and elastic properties of PLA/expanded graphite polymer nanocomposites |
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