title: Monte carlo simulation of coarse grain polymeric systems.
abstract: We introduce a particle-based Monte Carlo formalism for the study of polymeric melts, where the interaction energy is given by a local density functional, as is done in traditional field-theoretic models. The method enables Monte Carlo simulations in arbitrary ensembles and direct calculation of free energies. We present results for the phase diagram and the critical point of a binary homopolymer blend. For a symmetric diblock copolymer, we compute the distribution of local stress in lamellae and locate the order-disorder transition.
authors.affiliation: Department of Chemical and Biological Engineering, University of Wisconsin, Madison, Wisconsin 53706, USA.
authors.forename: François A
authors.initials: FA
authors.lastname: Detcheverry
authors.forename: Darin Q
authors.initials: DQ
authors.lastname: Pike
authors.forename: Paul F
authors.initials: PF
authors.lastname: Nealey
authors.forename: Marcus
authors.initials: M
authors.lastname: Müller
authors.forename: Juan J
authors.initials: JJ
authors.lastname: de Pablo