Testing Rigidity Transitions in Glass and Crystal Forming Dense Liquids: Viscoelasticity and Dynamical Gaps

A computational study of rigidity for dense fluids of monodisperse and bidisperse hard-disks near a phase and a glass transition respectively is presented. To achieve this goal, the transversal part of the dynamical structure factor is calculated. In both cases, a viscoelastic behavior is obtained,...

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Main Authors: J. Quetzalcóatl Toledo-Marín, Gerardo G. Naumis
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-07-01
Series:Frontiers in Materials
Subjects:
Online Access:https://www.frontiersin.org/article/10.3389/fmats.2019.00164/full
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author J. Quetzalcóatl Toledo-Marín
Gerardo G. Naumis
author_facet J. Quetzalcóatl Toledo-Marín
Gerardo G. Naumis
author_sort J. Quetzalcóatl Toledo-Marín
collection DOAJ
description A computational study of rigidity for dense fluids of monodisperse and bidisperse hard-disks near a phase and a glass transition respectively is presented. To achieve this goal, the transversal part of the dynamical structure factor is calculated. In both cases, a viscoelastic behavior is obtained, with a dynamical gap determined by a critical wavevector kc. Transversal waves exist for k > kc while the maximal correlations happens at frequency ω = 0 for k < kc. In both cases kc goes to zero as the freezing point is approached. Both systems are able to fulfill a scaled dynamical law as a power law is found for the critical kc as a function of the packing. The obtained results indicate that this method gives an alternative to study rigidity and constraint theory in dense fluids, since it is possible to assign a number of floppy modes or broken constraints in the liquid by computing the number of modes below kc, as well as an effective average coordination number. Also, this suggests that the critical wavevector kc can serve as a suitable order parameter.
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spelling doaj.art-e0484c54a65f42ccbe0a5132b484ce232022-12-22T03:08:25ZengFrontiers Media S.A.Frontiers in Materials2296-80162019-07-01610.3389/fmats.2019.00164472272Testing Rigidity Transitions in Glass and Crystal Forming Dense Liquids: Viscoelasticity and Dynamical GapsJ. Quetzalcóatl Toledo-MarínGerardo G. NaumisA computational study of rigidity for dense fluids of monodisperse and bidisperse hard-disks near a phase and a glass transition respectively is presented. To achieve this goal, the transversal part of the dynamical structure factor is calculated. In both cases, a viscoelastic behavior is obtained, with a dynamical gap determined by a critical wavevector kc. Transversal waves exist for k > kc while the maximal correlations happens at frequency ω = 0 for k < kc. In both cases kc goes to zero as the freezing point is approached. Both systems are able to fulfill a scaled dynamical law as a power law is found for the critical kc as a function of the packing. The obtained results indicate that this method gives an alternative to study rigidity and constraint theory in dense fluids, since it is possible to assign a number of floppy modes or broken constraints in the liquid by computing the number of modes below kc, as well as an effective average coordination number. Also, this suggests that the critical wavevector kc can serve as a suitable order parameter.https://www.frontiersin.org/article/10.3389/fmats.2019.00164/fulldynamical-gaprigidityrelaxationhard-disksviscoelasticity
spellingShingle J. Quetzalcóatl Toledo-Marín
Gerardo G. Naumis
Testing Rigidity Transitions in Glass and Crystal Forming Dense Liquids: Viscoelasticity and Dynamical Gaps
Frontiers in Materials
dynamical-gap
rigidity
relaxation
hard-disks
viscoelasticity
title Testing Rigidity Transitions in Glass and Crystal Forming Dense Liquids: Viscoelasticity and Dynamical Gaps
title_full Testing Rigidity Transitions in Glass and Crystal Forming Dense Liquids: Viscoelasticity and Dynamical Gaps
title_fullStr Testing Rigidity Transitions in Glass and Crystal Forming Dense Liquids: Viscoelasticity and Dynamical Gaps
title_full_unstemmed Testing Rigidity Transitions in Glass and Crystal Forming Dense Liquids: Viscoelasticity and Dynamical Gaps
title_short Testing Rigidity Transitions in Glass and Crystal Forming Dense Liquids: Viscoelasticity and Dynamical Gaps
title_sort testing rigidity transitions in glass and crystal forming dense liquids viscoelasticity and dynamical gaps
topic dynamical-gap
rigidity
relaxation
hard-disks
viscoelasticity
url https://www.frontiersin.org/article/10.3389/fmats.2019.00164/full
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AT gerardognaumis testingrigiditytransitionsinglassandcrystalformingdenseliquidsviscoelasticityanddynamicalgaps