Crystalline-amorphous silicon nano-composites: Nano-pores and nano-inclusions impact on the thermal conductivity
The thermal conductivities of nanoporous and nanocomposite silicon with incorporated amorphous phases have been computed by molecular dynamics simulations. A systematic investigation of the porosity and the width of the amorphous shell contouring a spherical pore has been made. The impact of amorpho...
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Veröffentlicht in: | Journal of applied physics 2016-05, Vol.119 (17) |
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creator | Verdier, M. Termentzidis, K. Lacroix, D. |
description | The thermal conductivities of nanoporous and nanocomposite silicon with incorporated amorphous phases have been computed by molecular dynamics simulations. A systematic investigation of the porosity and the width of the amorphous shell contouring a spherical pore has been made. The impact of amorphous phase nanoinclusions in a crystalline matrix has also been studied with the same amorphous fraction as the porosity of nanoporous silicon to achieve comparison. The key parameter for all configurations with or without the amorphous phase is proved to be the interface (between the crystalline and amorphous phases or crystalline and void) to volume ratio. We obtain the sub-amorphous thermal conductivity for several configurations by combining pores, amorphous shell, and crystalline phase. These configurations are promising candidates for low cost and not toxic thermoelectric devices based on abundant semiconductors. |
doi_str_mv | 10.1063/1.4948337 |
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A systematic investigation of the porosity and the width of the amorphous shell contouring a spherical pore has been made. The impact of amorphous phase nanoinclusions in a crystalline matrix has also been studied with the same amorphous fraction as the porosity of nanoporous silicon to achieve comparison. The key parameter for all configurations with or without the amorphous phase is proved to be the interface (between the crystalline and amorphous phases or crystalline and void) to volume ratio. We obtain the sub-amorphous thermal conductivity for several configurations by combining pores, amorphous shell, and crystalline phase. These configurations are promising candidates for low cost and not toxic thermoelectric devices based on abundant semiconductors.</description><identifier>ISSN: 0021-8979</identifier><identifier>EISSN: 1089-7550</identifier><identifier>DOI: 10.1063/1.4948337</identifier><identifier>CODEN: JAPIAU</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Amorphous silicon ; Applied physics ; Computer simulation ; Configurations ; Contouring ; Crystal structure ; Crystallinity ; Engineering Sciences ; Heat conductivity ; Heat transfer ; Molecular dynamics ; Nanocomposites ; Photovoltaic cells ; Porosity ; Spherical shells ; Thermal conductivity</subject><ispartof>Journal of applied physics, 2016-05, Vol.119 (17)</ispartof><rights>Author(s)</rights><rights>2016 Author(s). 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A systematic investigation of the porosity and the width of the amorphous shell contouring a spherical pore has been made. The impact of amorphous phase nanoinclusions in a crystalline matrix has also been studied with the same amorphous fraction as the porosity of nanoporous silicon to achieve comparison. The key parameter for all configurations with or without the amorphous phase is proved to be the interface (between the crystalline and amorphous phases or crystalline and void) to volume ratio. We obtain the sub-amorphous thermal conductivity for several configurations by combining pores, amorphous shell, and crystalline phase. These configurations are promising candidates for low cost and not toxic thermoelectric devices based on abundant semiconductors.</description><subject>Amorphous silicon</subject><subject>Applied physics</subject><subject>Computer simulation</subject><subject>Configurations</subject><subject>Contouring</subject><subject>Crystal structure</subject><subject>Crystallinity</subject><subject>Engineering Sciences</subject><subject>Heat conductivity</subject><subject>Heat transfer</subject><subject>Molecular dynamics</subject><subject>Nanocomposites</subject><subject>Photovoltaic cells</subject><subject>Porosity</subject><subject>Spherical shells</subject><subject>Thermal conductivity</subject><issn>0021-8979</issn><issn>1089-7550</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LAzEQhoMoWKsH_8GCJ4XVTLLtZr2V4hcUveg5TJMsjexu1iRb6L83ZcUeBA9D4M0zD8NLyCXQW6Bzfge3RVUIzssjMgEqqryczegxmVDKIBdVWZ2SsxA-KQUQvJqQful3IWLT2M7k2Drfb9wQsmAbq1yXddi5XLm2d8FGE-6z133QO29Chp0e_22nmiFY14XMtj2qmKXNuDH78S02WTLpQUW7tXF3Tk5qbIK5-Hmn5OPx4X35nK_enl6Wi1WuClbGnCmKzPBKGKHmuuBzNSs1cDUXUCujFUOdojUtao1MrNHoGa7BQMWEUcg5n5Lr0bvBRvbetuh30qGVz4uV3GcUCqDAyi0k9mpke---BhOi_HSD79J5kgFLRaUS4WBU3oXgTf2rBSr35UuQP-Un9mZkg7IRY-rmF946fwBlr-v_4L_mb2XelQg</recordid><startdate>20160507</startdate><enddate>20160507</enddate><creator>Verdier, M.</creator><creator>Termentzidis, K.</creator><creator>Lacroix, D.</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0002-8521-7107</orcidid><orcidid>https://orcid.org/0000-0001-6067-8524</orcidid></search><sort><creationdate>20160507</creationdate><title>Crystalline-amorphous silicon nano-composites: Nano-pores and nano-inclusions impact on the thermal conductivity</title><author>Verdier, M. ; Termentzidis, K. ; Lacroix, D.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c427t-2c0a2e398e8c6d436c57d13c681fcedc2ad6c5b04fda28baed5ab1e1928eca333</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Amorphous silicon</topic><topic>Applied physics</topic><topic>Computer simulation</topic><topic>Configurations</topic><topic>Contouring</topic><topic>Crystal structure</topic><topic>Crystallinity</topic><topic>Engineering Sciences</topic><topic>Heat conductivity</topic><topic>Heat transfer</topic><topic>Molecular dynamics</topic><topic>Nanocomposites</topic><topic>Photovoltaic cells</topic><topic>Porosity</topic><topic>Spherical shells</topic><topic>Thermal conductivity</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Verdier, M.</creatorcontrib><creatorcontrib>Termentzidis, K.</creatorcontrib><creatorcontrib>Lacroix, D.</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Journal of applied physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Verdier, M.</au><au>Termentzidis, K.</au><au>Lacroix, D.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystalline-amorphous silicon nano-composites: Nano-pores and nano-inclusions impact on the thermal conductivity</atitle><jtitle>Journal of applied physics</jtitle><date>2016-05-07</date><risdate>2016</risdate><volume>119</volume><issue>17</issue><issn>0021-8979</issn><eissn>1089-7550</eissn><coden>JAPIAU</coden><abstract>The thermal conductivities of nanoporous and nanocomposite silicon with incorporated amorphous phases have been computed by molecular dynamics simulations. A systematic investigation of the porosity and the width of the amorphous shell contouring a spherical pore has been made. The impact of amorphous phase nanoinclusions in a crystalline matrix has also been studied with the same amorphous fraction as the porosity of nanoporous silicon to achieve comparison. The key parameter for all configurations with or without the amorphous phase is proved to be the interface (between the crystalline and amorphous phases or crystalline and void) to volume ratio. We obtain the sub-amorphous thermal conductivity for several configurations by combining pores, amorphous shell, and crystalline phase. 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subjects | Amorphous silicon Applied physics Computer simulation Configurations Contouring Crystal structure Crystallinity Engineering Sciences Heat conductivity Heat transfer Molecular dynamics Nanocomposites Photovoltaic cells Porosity Spherical shells Thermal conductivity |
title | Crystalline-amorphous silicon nano-composites: Nano-pores and nano-inclusions impact on the thermal conductivity |
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