Literature DB >> 17677450

Revisiting the slow dynamics of a silica melt using Monte Carlo simulations.

Ludovic Berthier1.   

Abstract

We implement a standard Monte Carlo algorithm to study the slow, equilibrium dynamics of a silica melt in a wide temperature regime, from 6100K down to 2750K . We find that the average dynamical behavior of the system is in quantitative agreement with results obtained from molecular dynamics simulations, at least in the long-time regime corresponding to the alpha -relaxation. By contrast, the strong thermal vibrations related to the boson peak present at short times in molecular dynamics are efficiently suppressed by the Monte Carlo algorithm. This allows us to reconsider silica dynamics in the context of mode-coupling theory, because several shortcomings of the theory were previously attributed to thermal vibrations. A mode-coupling theory analysis of our data is qualitatively correct, but quantitative tests of the theory fail, raising doubts about the very existence of an avoided singularity in this system. We discuss the emergence of dynamic heterogeneity and report detailed measurements of a decoupling between translational diffusion and structural relaxation, and of a growing four-point dynamic susceptibility. Dynamic heterogeneity appears to be less pronounced than in more fragile glass-forming models, but not of a qualitatively different nature.

Entities:  

Year:  2007        PMID: 17677450     DOI: 10.1103/PhysRevE.76.011507

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  5 in total

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3.  The role of collective motion in examples of coarsening and self-assembly.

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4.  The liquid-amorphous phase transition, slow dynamics and dynamical heterogeneity for bulk iron: a molecular dynamics simulation.

Authors:  Kien Huu Pham; Trang Thi Thuy Giap
Journal:  RSC Adv       Date:  2021-10-04       Impact factor: 4.036

5.  Correspondence between neuroevolution and gradient descent.

Authors:  Stephen Whitelam; Viktor Selin; Sang-Won Park; Isaac Tamblyn
Journal:  Nat Commun       Date:  2021-11-02       Impact factor: 14.919

  5 in total

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