Parallel Monte Carlo Simulation of Single Polymer Chain

He Bei Gao; Hong Li; Chang Ji Qian

doi:10.4028/www.scientific.net/AMM.263-266.3317

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 263-266Parallel Monte Carlo Simulation of Single Polymer...

Parallel Monte Carlo Simulation of Single Polymer Chain

Abstract:

We calculated the properties of a single flexible polymer chain adsorbed onto a planar surface with two types of nodes, denoted by letters A and B by Monte Carlo methods. One A-type node contacting to the surface has an attractive interaction of strength E=-1. One node of B-type has no affinity for the surface, E= 0. The polymer chain is modeled as a self-avoiding walk of N steps started at the center of the flat surface on the cubic lattice. Statistical properties of the polymer chain are computed by using message passing libraries. We obtain linear speedup by parallel computing the independent samples.

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Periodical:

Applied Mechanics and Materials (Volumes 263-266)

Pages:

3317-3320

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.263-266.3317

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Online since:

December 2012

Authors:

He Bei Gao*, Hong Li, Chang Ji Qian

Keywords:

MPI Programming, Parallel Computing, Polymer, Self-Avoiding Walk, Simulation

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