Literature DB >> 21230246

Nonaffine heterogeneities and droplet fluctuations in an equilibrium crystalline solid.

Tamoghna Das1, Surajit Sengupta, Madan Rao.   

Abstract

We show, using molecular-dynamics simulations, that a two-dimensional Lennard-Jones solid exhibits droplet fluctuations characterized by nonaffine deviations from local crystallinity. The fraction of particles in these droplets increases as the mean density of the solid decreases and approaches ≈20% of the total number in the vicinity of the fluid-solid phase boundary. We monitor the geometry, local equation of state, density correlations, and Van Hove functions of these droplets. We provide evidence that these nonaffine heterogeneities should be interpreted as being droplet fluctuations from nearby metastable minima. The local excess pressure of the droplets plotted against the local number density shows a van der Waal loop with distinct branches corresponding to fluidlike compact and stringlike glassy droplets. The distinction between fluidlike and glassy droplets disappears above a well-defined temperature.

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Year:  2010        PMID: 21230246     DOI: 10.1103/PhysRevE.82.041115

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


  3 in total

1.  The relationship of dynamical heterogeneity to the Adam-Gibbs and random first-order transition theories of glass formation.

Authors:  Francis W Starr; Jack F Douglas; Srikanth Sastry
Journal:  J Chem Phys       Date:  2013-03-28       Impact factor: 3.488

2.  Pre-yield non-affine fluctuations and a hidden critical point in strained crystals.

Authors:  Tamoghna Das; Saswati Ganguly; Surajit Sengupta; Madan Rao
Journal:  Sci Rep       Date:  2015-06-03       Impact factor: 4.379

3.  From Crystals to Disordered Crystals: A Hidden Order-Disorder Transition.

Authors:  Hua Tong; Peng Tan; Ning Xu
Journal:  Sci Rep       Date:  2015-10-20       Impact factor: 4.379

  3 in total

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