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Thermal conductivity and mechanical properties of graphene-like BC2, BC3 and B4C3
Recently, carbon-based 2D nanomaterials have received significant attention because of their superior physical properties. In this investigation, the thermal conductivity (TC) and mechanical properties of graphene-like BC 2 , BC 3 and B 4 C 3 structures are systematically examined, using molecular d...
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| Published in: | Molecular simulation 2020, Vol.46 (12), p.879-888 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | English |
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| container_end_page | 888 |
| container_issue | 12 |
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| container_title | Molecular simulation |
| container_volume | 46 |
| creator | Senturk, Ahmet Emin Oktem, Ahmet Sinan Konukman, Alp Er S. |
| description | Recently, carbon-based 2D nanomaterials have received significant attention because of their superior physical properties. In this investigation, the thermal conductivity (TC) and mechanical properties of graphene-like BC
2
, BC
3
and B
4
C
3
structures are systematically examined, using molecular dynamics (MD) simulations. For graphene-like BC
2
, BC
3
and B
4
C
3
structures, our MD results predict remarkably high thermal and mechanical properties. Especially, graphene-like BC
3
structure indicates higher mechanical properties than graphene-like BC
2
and B
4
C
3
structures. Also, the mechanical properties of these graphene-like structures are investigated at four various temperatures from 200 to 900 K. Our results indicate that the mechanical properties of graphene-like structures gradually decrease as the temperature rises. In addition, the failure processes of graphene-like BC
2
, BC
3
and B
4
C
3
structures are examined at room temperature. According to the MD simulations, these graphene-like structures show brittle failure mechanism. In addition, graphene-like BC
3
structure is more stretchable than other structures. Remarkably, non-equilibrium MD simulation results demonstrate ultra high TC values of graphene-like BC
2
, BC
3
and B
4
C
3
structures and so propose them for thermal management of polymeric materials or in nanoelectronics. Similar to the mechanical properties, graphene-like BC
3
has higher TC value than others. |
| doi_str_mv | 10.1080/08927022.2020.1786085 |
| format | article |
| fullrecord | <record><control><sourceid>proquest_infor</sourceid><recordid>TN_cdi_proquest_journals_2428985820</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2428985820</sourcerecordid><originalsourceid>FETCH-LOGICAL-g192t-89dc61dca00de2c58d87f49eb5bb6cb27a529979721e7ea212c594bd4a185fe03</originalsourceid><addsrcrecordid>eNo1kFtLwzAUgIMoOKc_QSj4aufJadMmb7riDQYizOeQJuna2aUz7ZT9e1M3X3Ig5zu3j5BrCjMKHO6AC8wBcYaA4SvnGXB2QiYUUMSQJuyUTEYmHqFzctH3awCkLM0m5H1ZW79RbaQ7Z3Z6aL6bYR8pZ6KN1bVyjQ65re-21g-N7aOuilZebWvrbNw2nzaaF3gbnuSvZp4WySU5q1Tb26tjnJKPp8dl8RIv3p5fi4dFvKICh5gLozNqtAIwFjXjhudVKmzJyjLTJeaKoRC5yJHa3CqkgRFpaVJFOassJFNyc-gbtvva2X6Q627nXRgpMUUuOOM4UvcHqnFVFw796Xxr5KD2becrr5xueplQkKNI-S9SjiLlUWTyCynVZOo</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2428985820</pqid></control><display><type>article</type><title>Thermal conductivity and mechanical properties of graphene-like BC2, BC3 and B4C3</title><source>Taylor and Francis Science and Technology Collection</source><creator>Senturk, Ahmet Emin ; Oktem, Ahmet Sinan ; Konukman, Alp Er S.</creator><creatorcontrib>Senturk, Ahmet Emin ; Oktem, Ahmet Sinan ; Konukman, Alp Er S.</creatorcontrib><description>Recently, carbon-based 2D nanomaterials have received significant attention because of their superior physical properties. In this investigation, the thermal conductivity (TC) and mechanical properties of graphene-like BC
2
, BC
3
and B
4
C
3
structures are systematically examined, using molecular dynamics (MD) simulations. For graphene-like BC
2
, BC
3
and B
4
C
3
structures, our MD results predict remarkably high thermal and mechanical properties. Especially, graphene-like BC
3
structure indicates higher mechanical properties than graphene-like BC
2
and B
4
C
3
structures. Also, the mechanical properties of these graphene-like structures are investigated at four various temperatures from 200 to 900 K. Our results indicate that the mechanical properties of graphene-like structures gradually decrease as the temperature rises. In addition, the failure processes of graphene-like BC
2
, BC
3
and B
4
C
3
structures are examined at room temperature. According to the MD simulations, these graphene-like structures show brittle failure mechanism. In addition, graphene-like BC
3
structure is more stretchable than other structures. Remarkably, non-equilibrium MD simulation results demonstrate ultra high TC values of graphene-like BC
2
, BC
3
and B
4
C
3
structures and so propose them for thermal management of polymeric materials or in nanoelectronics. Similar to the mechanical properties, graphene-like BC
3
has higher TC value than others.</description><identifier>ISSN: 0892-7022</identifier><identifier>EISSN: 1029-0435</identifier><identifier>DOI: 10.1080/08927022.2020.1786085</identifier><language>eng</language><publisher>Abingdon: Taylor & Francis</publisher><subject>Failure mechanisms ; Graphene ; Graphene-like structures ; Heat conductivity ; Heat transfer ; Mechanical properties ; Molecular dynamics ; Nanoelectronics ; Nanomaterials ; Physical properties ; Room temperature ; Simulation ; Thermal conductivity ; Thermal management ; Thermodynamic properties</subject><ispartof>Molecular simulation, 2020, Vol.46 (12), p.879-888</ispartof><rights>2020 Informa UK Limited, trading as Taylor & Francis Group 2020</rights><rights>2020 Informa UK Limited, trading as Taylor & Francis Group</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0001-9440-7394 ; 0000-0003-1493-0965 ; 0000-0003-0982-1860</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,4024,27923,27924,27925</link.rule.ids></links><search><creatorcontrib>Senturk, Ahmet Emin</creatorcontrib><creatorcontrib>Oktem, Ahmet Sinan</creatorcontrib><creatorcontrib>Konukman, Alp Er S.</creatorcontrib><title>Thermal conductivity and mechanical properties of graphene-like BC2, BC3 and B4C3</title><title>Molecular simulation</title><description>Recently, carbon-based 2D nanomaterials have received significant attention because of their superior physical properties. In this investigation, the thermal conductivity (TC) and mechanical properties of graphene-like BC
2
, BC
3
and B
4
C
3
structures are systematically examined, using molecular dynamics (MD) simulations. For graphene-like BC
2
, BC
3
and B
4
C
3
structures, our MD results predict remarkably high thermal and mechanical properties. Especially, graphene-like BC
3
structure indicates higher mechanical properties than graphene-like BC
2
and B
4
C
3
structures. Also, the mechanical properties of these graphene-like structures are investigated at four various temperatures from 200 to 900 K. Our results indicate that the mechanical properties of graphene-like structures gradually decrease as the temperature rises. In addition, the failure processes of graphene-like BC
2
, BC
3
and B
4
C
3
structures are examined at room temperature. According to the MD simulations, these graphene-like structures show brittle failure mechanism. In addition, graphene-like BC
3
structure is more stretchable than other structures. Remarkably, non-equilibrium MD simulation results demonstrate ultra high TC values of graphene-like BC
2
, BC
3
and B
4
C
3
structures and so propose them for thermal management of polymeric materials or in nanoelectronics. Similar to the mechanical properties, graphene-like BC
3
has higher TC value than others.</description><subject>Failure mechanisms</subject><subject>Graphene</subject><subject>Graphene-like structures</subject><subject>Heat conductivity</subject><subject>Heat transfer</subject><subject>Mechanical properties</subject><subject>Molecular dynamics</subject><subject>Nanoelectronics</subject><subject>Nanomaterials</subject><subject>Physical properties</subject><subject>Room temperature</subject><subject>Simulation</subject><subject>Thermal conductivity</subject><subject>Thermal management</subject><subject>Thermodynamic properties</subject><issn>0892-7022</issn><issn>1029-0435</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNo1kFtLwzAUgIMoOKc_QSj4aufJadMmb7riDQYizOeQJuna2aUz7ZT9e1M3X3Ig5zu3j5BrCjMKHO6AC8wBcYaA4SvnGXB2QiYUUMSQJuyUTEYmHqFzctH3awCkLM0m5H1ZW79RbaQ7Z3Z6aL6bYR8pZ6KN1bVyjQ65re-21g-N7aOuilZebWvrbNw2nzaaF3gbnuSvZp4WySU5q1Tb26tjnJKPp8dl8RIv3p5fi4dFvKICh5gLozNqtAIwFjXjhudVKmzJyjLTJeaKoRC5yJHa3CqkgRFpaVJFOassJFNyc-gbtvva2X6Q627nXRgpMUUuOOM4UvcHqnFVFw796Xxr5KD2becrr5xueplQkKNI-S9SjiLlUWTyCynVZOo</recordid><startdate>2020</startdate><enddate>2020</enddate><creator>Senturk, Ahmet Emin</creator><creator>Oktem, Ahmet Sinan</creator><creator>Konukman, Alp Er S.</creator><general>Taylor & Francis</general><general>Taylor & Francis Ltd</general><scope>7SC</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>JQ2</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><orcidid>https://orcid.org/0000-0001-9440-7394</orcidid><orcidid>https://orcid.org/0000-0003-1493-0965</orcidid><orcidid>https://orcid.org/0000-0003-0982-1860</orcidid></search><sort><creationdate>2020</creationdate><title>Thermal conductivity and mechanical properties of graphene-like BC2, BC3 and B4C3</title><author>Senturk, Ahmet Emin ; Oktem, Ahmet Sinan ; Konukman, Alp Er S.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-g192t-89dc61dca00de2c58d87f49eb5bb6cb27a529979721e7ea212c594bd4a185fe03</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Failure mechanisms</topic><topic>Graphene</topic><topic>Graphene-like structures</topic><topic>Heat conductivity</topic><topic>Heat transfer</topic><topic>Mechanical properties</topic><topic>Molecular dynamics</topic><topic>Nanoelectronics</topic><topic>Nanomaterials</topic><topic>Physical properties</topic><topic>Room temperature</topic><topic>Simulation</topic><topic>Thermal conductivity</topic><topic>Thermal management</topic><topic>Thermodynamic properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Senturk, Ahmet Emin</creatorcontrib><creatorcontrib>Oktem, Ahmet Sinan</creatorcontrib><creatorcontrib>Konukman, Alp Er S.</creatorcontrib><collection>Computer and Information Systems 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>ProQuest Computer Science Collection</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Computer and Information Systems Abstracts Academic</collection><collection>Computer and Information Systems Abstracts Professional</collection><jtitle>Molecular simulation</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Senturk, Ahmet Emin</au><au>Oktem, Ahmet Sinan</au><au>Konukman, Alp Er S.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Thermal conductivity and mechanical properties of graphene-like BC2, BC3 and B4C3</atitle><jtitle>Molecular simulation</jtitle><date>2020</date><risdate>2020</risdate><volume>46</volume><issue>12</issue><spage>879</spage><epage>888</epage><pages>879-888</pages><issn>0892-7022</issn><eissn>1029-0435</eissn><abstract>Recently, carbon-based 2D nanomaterials have received significant attention because of their superior physical properties. In this investigation, the thermal conductivity (TC) and mechanical properties of graphene-like BC
2
, BC
3
and B
4
C
3
structures are systematically examined, using molecular dynamics (MD) simulations. For graphene-like BC
2
, BC
3
and B
4
C
3
structures, our MD results predict remarkably high thermal and mechanical properties. Especially, graphene-like BC
3
structure indicates higher mechanical properties than graphene-like BC
2
and B
4
C
3
structures. Also, the mechanical properties of these graphene-like structures are investigated at four various temperatures from 200 to 900 K. Our results indicate that the mechanical properties of graphene-like structures gradually decrease as the temperature rises. In addition, the failure processes of graphene-like BC
2
, BC
3
and B
4
C
3
structures are examined at room temperature. According to the MD simulations, these graphene-like structures show brittle failure mechanism. In addition, graphene-like BC
3
structure is more stretchable than other structures. Remarkably, non-equilibrium MD simulation results demonstrate ultra high TC values of graphene-like BC
2
, BC
3
and B
4
C
3
structures and so propose them for thermal management of polymeric materials or in nanoelectronics. Similar to the mechanical properties, graphene-like BC
3
has higher TC value than others.</abstract><cop>Abingdon</cop><pub>Taylor & Francis</pub><doi>10.1080/08927022.2020.1786085</doi><tpages>10</tpages><orcidid>https://orcid.org/0000-0001-9440-7394</orcidid><orcidid>https://orcid.org/0000-0003-1493-0965</orcidid><orcidid>https://orcid.org/0000-0003-0982-1860</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0892-7022 |
| ispartof | Molecular simulation, 2020, Vol.46 (12), p.879-888 |
| issn | 0892-7022 1029-0435 |
| language | eng |
| recordid | cdi_proquest_journals_2428985820 |
| source | Taylor and Francis Science and Technology Collection |
| subjects | Failure mechanisms Graphene Graphene-like structures Heat conductivity Heat transfer Mechanical properties Molecular dynamics Nanoelectronics Nanomaterials Physical properties Room temperature Simulation Thermal conductivity Thermal management Thermodynamic properties |
| title | Thermal conductivity and mechanical properties of graphene-like BC2, BC3 and B4C3 |
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