Validation of non-classical homogeneous nucleation model for G-glass and L-glass formations in liquid elements with recent molecular dynamics simulations
A first-order transition from liquid to homogenous glass denoted L-glass is predicted since 2016, in liquid elements having a Lindemann constant equal to 0.103, with a non-classical homogeneous nucleation model, accompanied by a latent heat of 10.5 % of the melting heat. The transition under pressur...
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Veröffentlicht in: | Scripta materialia 2021-07, Vol.199, p.113859, Article 113859 |
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description | A first-order transition from liquid to homogenous glass denoted L-glass is predicted since 2016, in liquid elements having a Lindemann constant equal to 0.103, with a non-classical homogeneous nucleation model, accompanied by a latent heat of 10.5 % of the melting heat. The transition under pressure of 4He is the first example of this phenomenon. Recent molecular dynamic simulations of Qi An et al identify, in addition, a first-order freezing transition from liquid (L) to metastable heterogenous solid-like phase, denoted as the G-glass, when a supercooled liquid evolves isothermally below its melting temperature Tm at deep undercooling. These observations are related to the general phenomenon of first-order transitions of glacial phases obtained by annealing above Tg at various heating or cooling rates or by isotherm annealing. The non-classical model of homogenous nucleation describes the first-order transitions of L-glass and G-glass to liquid in perfect agreement with these simulations.
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[Display omitted]</description><subject>Chemical Sciences</subject><subject>First-order transitions</subject><subject>Glasses</subject><subject>Homogenous nucleation</subject><subject>Liquid elements</subject><subject>Molecular dynamics simulations</subject><subject>Physics</subject><issn>1359-6462</issn><issn>1872-8456</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNqFkUFv3CAQha0okbLd5D9wzcFbwBjjY7pqk0or9dL2isYwzrLCkIJ3q_yU_tuycdQec5qZp-89CV5VEUY3jDL58bDJJrnnGSaYN5xytmGsUW1_Ua2Y6nitRCsvy960fS2F5NfVh5wPlFLJOFtVf36CdxZmFwOJIwkx1MZDzs6AJ_s4xScMGI-ZhKPxuHBTtOjJGBN5qJ_OMIFgye5tL_r0ymXiAvHu19FZgh4nDHMmv928JwlNOUqOR3P0kIh9CTA5k0l2UxFe3TfV1Qg-4-3bXFc_vnz-vn2sd98evm7vd7URlM81cKpUNzaCAZUDt5R3OAyysZwrYCM2pheSDYKLvlUKO8sttl2LZgAD_SCadXW35O7B6-fkJkgvOoLTj_c7fdZowzmTnTixwqqFNSnmnHD8Z2BUn-vQB_2_Dn2uQy91FOunxYrlLSeHqYAOg0HrynfM2kb3fshfjeOc2g</recordid><startdate>20210701</startdate><enddate>20210701</enddate><creator>Tournier, Robert F.</creator><general>Elsevier Ltd</general><general>Elsevier</general><scope>AAYXX</scope><scope>CITATION</scope><scope>1XC</scope><scope>VOOES</scope><orcidid>https://orcid.org/0000-0002-1135-1258</orcidid></search><sort><creationdate>20210701</creationdate><title>Validation of non-classical homogeneous nucleation model for G-glass and L-glass formations in liquid elements with recent molecular dynamics simulations</title><author>Tournier, Robert F.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c402t-a20887f341a06b2d027ebb63d228a1fe3c9461b4249588e7d2de575ecbaca9b43</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Chemical Sciences</topic><topic>First-order transitions</topic><topic>Glasses</topic><topic>Homogenous nucleation</topic><topic>Liquid elements</topic><topic>Molecular dynamics simulations</topic><topic>Physics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Tournier, Robert F.</creatorcontrib><collection>CrossRef</collection><collection>Hyper Article en Ligne (HAL)</collection><collection>Hyper Article en Ligne (HAL) (Open Access)</collection><jtitle>Scripta materialia</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Tournier, Robert F.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Validation of non-classical homogeneous nucleation model for G-glass and L-glass formations in liquid elements with recent molecular dynamics simulations</atitle><jtitle>Scripta materialia</jtitle><date>2021-07-01</date><risdate>2021</risdate><volume>199</volume><spage>113859</spage><pages>113859-</pages><artnum>113859</artnum><issn>1359-6462</issn><eissn>1872-8456</eissn><abstract>A first-order transition from liquid to homogenous glass denoted L-glass is predicted since 2016, in liquid elements having a Lindemann constant equal to 0.103, with a non-classical homogeneous nucleation model, accompanied by a latent heat of 10.5 % of the melting heat. The transition under pressure of 4He is the first example of this phenomenon. Recent molecular dynamic simulations of Qi An et al identify, in addition, a first-order freezing transition from liquid (L) to metastable heterogenous solid-like phase, denoted as the G-glass, when a supercooled liquid evolves isothermally below its melting temperature Tm at deep undercooling. These observations are related to the general phenomenon of first-order transitions of glacial phases obtained by annealing above Tg at various heating or cooling rates or by isotherm annealing. The non-classical model of homogenous nucleation describes the first-order transitions of L-glass and G-glass to liquid in perfect agreement with these simulations.
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subjects | Chemical Sciences First-order transitions Glasses Homogenous nucleation Liquid elements Molecular dynamics simulations Physics |
title | Validation of non-classical homogeneous nucleation model for G-glass and L-glass formations in liquid elements with recent molecular dynamics simulations |
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