Influence of bond and pinning constraints on configurational restraint in a supercooled liquid

Constraints in the form of rigid bonds between neighboring particles are introduced at the point of calculating the instantaneous normal modes of a supercooled liquid. The effect of rigid bond constraints on the restraint exhibited by a configuration is similar to that exerted by pinned particles after adjusting for the relative number of constrained degrees of freedom. Both forms of constraint shift the liquid configurations towards a restraint similar to that of silica, a canonical strong liquid. We show that the constraints act to increase configurational stiffness, as measured by the restraint, by decreasing the amplitude of the unstable modes.

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Publication Details

Journal
Physical review. E
Published
2025-09-10
DOI
https://doi.org/10.1103/ksq8-h1tc
Primary Topic
Material Dynamics and Properties
Type
article
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article

Influence of bond and pinning constraints on configurational restraint in a supercooled liquid

Peter Harrowell, Gang Sun
Physical review. E
Material Dynamics and Properties
article

Influence of bond and pinning constraints on configurational restraint in a supercooled liquid

Peter Harrowell, Gang Sun
article en

Abstract

Constraints in the form of rigid bonds between neighboring particles are introduced at the point of calculating the instantaneous normal modes of a supercooled liquid. The effect of rigid bond constraints on the restraint exhibited by a configuration is similar to that exerted by pinned particles after adjusting for the relative number of constrained degrees of freedom. Both forms of constraint shift the liquid configurations towards a restraint similar to that of silica, a canonical strong liquid. We show that the constraints act to increase configurational stiffness, as measured by the restraint, by decreasing the amplitude of the unstable modes.

Physical review. EVol. 112(3)
The University of Sydney (AU), Beijing Normal University (CN)
Openalex Percentile: Top 82%
Material Dynamics and Properties
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Influence of bond and pinning constraints on configurational restraint in a supercooled liquid — Peter Harrowell, Gang Sun · Physical review. E (2025) | TGRS Research Map | TGRS