Simulation of long polymer chains under shear flow

Abstract

Simulation of long polymer chains under shear flow -------------------------------------------------- ************* by Airidas Korolkovas ************* --- Overview --- This software numerically solves the equation of motion for a network of long (entangled) polymer chains. The physics and math were originally described in this publication: (attached here) Airidas Korolkovas, Philipp Gutfreund, and Jean-Louis Barrat. "Simulation of entangled polymer solutions." The Journal of Chemical Physics 145.12 (2016): 124113. The extension for shear flow is described in this article: (also attached) Airidas Korolkovas, Philipp Gutfreund, and Maximilian Wolff. "Dynamical structure of entangled polymers simulated under shear flow." (in preparation) --- System requirements --- The code runs in Matlab, and was tested for the Matlab 2016a version. There is both a CPU and a GPU option (about 10-50x faster). To run the GPU code effectively, a CUDA-enabled Nvidia card is required. Quadro M5000 model was tested to give acceptable performance

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    Last time updated on 04/01/2018