Literature DB >> 23214708

Impulsive correction to the elastic moduli obtained using the stress-fluctuation formalism in systems with truncated pair potential.

H Xu1, J P Wittmer, P Polińska, J Baschnagel.   

Abstract

The truncation of a pair potential at a distance rc is well known to imply, in general, an impulsive correction to the pressure and other moments of the first derivatives of the potential. That, depending on rc, the truncation may also be of relevance to higher derivatives is shown theoretically for the Born contributions to the elastic moduli obtained using the stress-fluctuation formalism in d dimensions. Focusing on isotropic liquids for which the shear modulus G must vanish by construction, the predicted corrections are tested numerically for binary mixtures and polydisperse Lennard-Jones beads in, respectively, d=3 and 2 dimensions. Both models being glass formers, we comment briefly on the temperature (T) dependence of the (corrected) shear modulus G(T) around the glass transition temperature Tg.

Year:  2012        PMID: 23214708     DOI: 10.1103/PhysRevE.86.046705

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


  1 in total

1.  Compressibility and pressure correlations in isotropic solids and fluids.

Authors:  J P Wittmer; H Xu; P Polińska; C Gillig; J Helfferich; F Weysser; J Baschnagel
Journal:  Eur Phys J E Soft Matter       Date:  2013-11-22       Impact factor: 1.890

  1 in total

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