| Literature DB >> 23214708 |
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