Fast generation of ultrastable computer glasses by minimization of an augmented potential energy
Autor(a) principal: | |
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Data de Publicação: | 2019 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/197011 |
Resumo: | We present a model and protocol that enable the generation of extremely stable computer glasses at minimal computational cost. The protocol consists of an instantaneous quench in an augmented potential energy landscape, with particle radii as additional degrees of freedom. We demonstrate how our glasses’ mechanical stability, which is readily tunable in our approach, is reflected in both microscopic and macroscopic observables. Our observations indicate that the stability of our computer glasses is at least comparable to that of computer glasses generated by the celebrated Swap Monte Carlo algorithm. Strikingly, some key properties support even qualitatively enhanced stability in our scheme: the density of quasilocalized excitations displays a gap in our most stable computer glasses, whose magnitude scales with the polydispersity of the particles. We explain this observation, which is consistent with the lack of plasticity we observe at small stress. It also suggests that these glasses are depleted from two-level systems, similarly to experimental vapor-deposited ultrastable glasses. |
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Kapteijns, Geert H.Ji, WenchengBrito, CarolinaWyart, MatthieuLerner, Edan2019-07-17T02:36:29Z20191539-3755http://hdl.handle.net/10183/197011001096552We present a model and protocol that enable the generation of extremely stable computer glasses at minimal computational cost. The protocol consists of an instantaneous quench in an augmented potential energy landscape, with particle radii as additional degrees of freedom. We demonstrate how our glasses’ mechanical stability, which is readily tunable in our approach, is reflected in both microscopic and macroscopic observables. Our observations indicate that the stability of our computer glasses is at least comparable to that of computer glasses generated by the celebrated Swap Monte Carlo algorithm. Strikingly, some key properties support even qualitatively enhanced stability in our scheme: the density of quasilocalized excitations displays a gap in our most stable computer glasses, whose magnitude scales with the polydispersity of the particles. We explain this observation, which is consistent with the lack of plasticity we observe at small stress. It also suggests that these glasses are depleted from two-level systems, similarly to experimental vapor-deposited ultrastable glasses.application/pdfengPhysical review. E, Statistical, nonlinear, and soft matter physics. Melville. Vol. 99, no. 1 (Jan. 2019), 012106, 9 p.Método de Monte CarloDinâmica molecularElasticidadeFast generation of ultrastable computer glasses by minimization of an augmented potential energyEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSTEXT001096552.pdf.txt001096552.pdf.txtExtracted Texttext/plain43824http://www.lume.ufrgs.br/bitstream/10183/197011/2/001096552.pdf.txt73007ec03b812322317bba4218ae022bMD52ORIGINAL001096552.pdfTexto completo (inglês)application/pdf1720118http://www.lume.ufrgs.br/bitstream/10183/197011/1/001096552.pdf79901312d608218a873294943c318176MD5110183/1970112019-07-18 02:41:37.686599oai:www.lume.ufrgs.br:10183/197011Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2019-07-18T05:41:37Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Fast generation of ultrastable computer glasses by minimization of an augmented potential energy |
title |
Fast generation of ultrastable computer glasses by minimization of an augmented potential energy |
spellingShingle |
Fast generation of ultrastable computer glasses by minimization of an augmented potential energy Kapteijns, Geert H. Método de Monte Carlo Dinâmica molecular Elasticidade |
title_short |
Fast generation of ultrastable computer glasses by minimization of an augmented potential energy |
title_full |
Fast generation of ultrastable computer glasses by minimization of an augmented potential energy |
title_fullStr |
Fast generation of ultrastable computer glasses by minimization of an augmented potential energy |
title_full_unstemmed |
Fast generation of ultrastable computer glasses by minimization of an augmented potential energy |
title_sort |
Fast generation of ultrastable computer glasses by minimization of an augmented potential energy |
author |
Kapteijns, Geert H. |
author_facet |
Kapteijns, Geert H. Ji, Wencheng Brito, Carolina Wyart, Matthieu Lerner, Edan |
author_role |
author |
author2 |
Ji, Wencheng Brito, Carolina Wyart, Matthieu Lerner, Edan |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Kapteijns, Geert H. Ji, Wencheng Brito, Carolina Wyart, Matthieu Lerner, Edan |
dc.subject.por.fl_str_mv |
Método de Monte Carlo Dinâmica molecular Elasticidade |
topic |
Método de Monte Carlo Dinâmica molecular Elasticidade |
description |
We present a model and protocol that enable the generation of extremely stable computer glasses at minimal computational cost. The protocol consists of an instantaneous quench in an augmented potential energy landscape, with particle radii as additional degrees of freedom. We demonstrate how our glasses’ mechanical stability, which is readily tunable in our approach, is reflected in both microscopic and macroscopic observables. Our observations indicate that the stability of our computer glasses is at least comparable to that of computer glasses generated by the celebrated Swap Monte Carlo algorithm. Strikingly, some key properties support even qualitatively enhanced stability in our scheme: the density of quasilocalized excitations displays a gap in our most stable computer glasses, whose magnitude scales with the polydispersity of the particles. We explain this observation, which is consistent with the lack of plasticity we observe at small stress. It also suggests that these glasses are depleted from two-level systems, similarly to experimental vapor-deposited ultrastable glasses. |
publishDate |
2019 |
dc.date.accessioned.fl_str_mv |
2019-07-17T02:36:29Z |
dc.date.issued.fl_str_mv |
2019 |
dc.type.driver.fl_str_mv |
Estrangeiro info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10183/197011 |
dc.identifier.issn.pt_BR.fl_str_mv |
1539-3755 |
dc.identifier.nrb.pt_BR.fl_str_mv |
001096552 |
identifier_str_mv |
1539-3755 001096552 |
url |
http://hdl.handle.net/10183/197011 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.ispartof.pt_BR.fl_str_mv |
Physical review. E, Statistical, nonlinear, and soft matter physics. Melville. Vol. 99, no. 1 (Jan. 2019), 012106, 9 p. |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.source.none.fl_str_mv |
reponame:Repositório Institucional da UFRGS instname:Universidade Federal do Rio Grande do Sul (UFRGS) instacron:UFRGS |
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Universidade Federal do Rio Grande do Sul (UFRGS) |
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UFRGS |
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UFRGS |
reponame_str |
Repositório Institucional da UFRGS |
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Repositório Institucional da UFRGS |
bitstream.url.fl_str_mv |
http://www.lume.ufrgs.br/bitstream/10183/197011/2/001096552.pdf.txt http://www.lume.ufrgs.br/bitstream/10183/197011/1/001096552.pdf |
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Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS) |
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1801224971328946176 |