Introducing Variable Cell Shape Methods in Field Theory Simulations of Polymers
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 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 non trivial morphologies, and enables the study of morphology transitions induced by external stresses.
- Publication:
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arXiv e-prints
- Pub Date:
- September 2004
- DOI:
- 10.48550/arXiv.cond-mat/0409757
- arXiv:
- arXiv:cond-mat/0409757
- Bibcode:
- 2004cond.mat..9757B
- Keywords:
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- Condensed Matter - Materials Science