| Literature DB >> 16851752 |
Jean-Louis Barrat1, Glenn H Fredrickson, Scott W Sides.
Abstract
We propose a new method for carrying out field-theoretic simulations of polymer systems under conditions of prescribed external stress, allowing for shape changes in the simulation box. A compact expression for the deviatoric stress tensor is derived in terms of the chain propagator, and it is used to monitor changes in the box shape according to a simple relaxation scheme. The method allows fully relaxed, stress free configurations to be obtained even in nontrivial morphologies, and it enables the study of morphology transitions induced by external stresses.Entities:
Year: 2005 PMID: 16851752 DOI: 10.1021/jp0455529
Source DB: PubMed Journal: J Phys Chem B ISSN: 1520-5207 Impact factor: 2.991