Literature DB >> 27092716

Structural Properties of Defects in Glassy Liquids.

Ekin D Cubuk1, Samuel S Schoenholz1,2, Efthimios Kaxiras1, Andrea J Liu2.   

Abstract

At zero temperature a disordered solid corresponds to a local minimum in the energy landscape. As the temperature is raised or the system is driven with a mechanical load, the system explores different minima via dynamical events in which particles rearrange their relative positions. We have shown recently that the dynamics of particle rearrangements are strongly correlated with a structural quantity associated with each particle, "softness", which we can identify using supervised machine learning. Particles of a given softness have a well-defined energy scale that governs local rearrangements; because of this property, softness greatly simplifies our understanding of glassy dynamics. Here we investigate the correlation of softness with other commonly used structural quantities, such as coordination number and local potential energy. We show that although softness strongly correlates with these properties, its predictive power for rearrangement dynamics is much higher. We introduce a useful metric for quantifying the quality of structural quantities as predictors of dynamics. We hope that, in the future, authors introducing new structural measures of dynamics will compare their proposals quantitatively to softness using this metric. We also show how softness correlations give insight into rearrangements. Finally, we explore the physical meaning of softness using unsupervised dimensionality reduction and reduced curve-fitting models, and show that softness can be recast in a form that is amenable to analytical treatment.

Entities:  

Year:  2016        PMID: 27092716     DOI: 10.1021/acs.jpcb.6b02144

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  7 in total

1.  Relationship between local structure and relaxation in out-of-equilibrium glassy systems.

Authors:  Samuel S Schoenholz; Ekin D Cubuk; Efthimios Kaxiras; Andrea J Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2016-12-27       Impact factor: 11.205

2.  Machine learning determination of atomic dynamics at grain boundaries.

Authors:  Tristan A Sharp; Spencer L Thomas; Ekin D Cubuk; Samuel S Schoenholz; David J Srolovitz; Andrea J Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2018-10-09       Impact factor: 11.205

3.  Structure-property relationships from universal signatures of plasticity in disordered solids.

Authors:  E D Cubuk; R J S Ivancic; S S Schoenholz; D J Strickland; A Basu; Z S Davidson; J Fontaine; J L Hor; Y-R Huang; Y Jiang; N C Keim; K D Koshigan; J A Lefever; T Liu; X-G Ma; D J Magagnosc; E Morrow; C P Ortiz; J M Rieser; A Shavit; T Still; Y Xu; Y Zhang; K N Nordstrom; P E Arratia; R W Carpick; D J Durian; Z Fakhraai; D J Jerolmack; Daeyeon Lee; Ju Li; R Riggleman; K T Turner; A G Yodh; D S Gianola; Andrea J Liu
Journal:  Science       Date:  2017-11-24       Impact factor: 47.728

4.  Disconnecting structure and dynamics in glassy thin films.

Authors:  Daniel M Sussman; Samuel S Schoenholz; Ekin D Cubuk; Andrea J Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2017-09-19       Impact factor: 11.205

5.  Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials.

Authors:  Tian Xie; Arthur France-Lanord; Yanming Wang; Yang Shao-Horn; Jeffrey C Grossman
Journal:  Nat Commun       Date:  2019-06-17       Impact factor: 14.919

6.  A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses.

Authors:  Qi Wang; Anubhav Jain
Journal:  Nat Commun       Date:  2019-12-05       Impact factor: 14.919

7.  Correlation of plastic events with local structure in jammed packings across spatial dimensions.

Authors:  Sean A Ridout; Jason W Rocks; Andrea J Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2022-04-11       Impact factor: 12.779

  7 in total

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