Literature DB >> 21828513

Dynamics and energy landscape in a tetrahedral network glass-former: direct comparison with models of fragile liquids.

D Coslovich1, G Pastore.   

Abstract

We report molecular dynamics simulations for a new model of tetrahedral network glass-former, based on short-range spherical potentials. Despite the simplicity of the forcefield employed, our model reproduces some essential physical properties of silica, an archetypal network-forming material. Structural and dynamical properties, including dynamic heterogeneities and the nature of local rearrangements, are investigated in detail and a direct comparison with models of close-packed, fragile glass-formers is performed. The outcome of this comparison is rationalized in terms of the properties of the potential energy surface, focusing on the unstable modes of the stationary points. Our results indicate that the weak degree of dynamic heterogeneity observed in network glass-formers may be attributed to an excess of localized unstable modes, associated with elementary dynamical events such as bond breaking and reformation. In contrast, the more fragile Lennard-Jones mixtures are characterized by a larger fraction of extended unstable modes, which lead to a more cooperative and heterogeneous dynamics.

Entities:  

Year:  2009        PMID: 21828513     DOI: 10.1088/0953-8984/21/28/285107

Source DB:  PubMed          Journal:  J Phys Condens Matter        ISSN: 0953-8984            Impact factor:   2.333


  2 in total

1.  Computer simulation of diffusion in silica liquid under temperature and pressure.

Authors:  P K Hung; N T T Ha; N V Hong
Journal:  Eur Phys J E Soft Matter       Date:  2013-06-20       Impact factor: 1.890

2.  Surface Fluctuations Dominate the Slow Glassy Dynamics of Polymer-Grafted Colloid Assemblies.

Authors:  Makoto Asai; Angelo Cacciuto; Sanat K Kumar
Journal:  ACS Cent Sci       Date:  2018-08-27       Impact factor: 14.553

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.