Parallel algorithm for cell dynamics simulation of block copolymers

Guo, Xiaohu and Pinna, Marco and Zvelindovsky, Andrei (2007) Parallel algorithm for cell dynamics simulation of block copolymers. Macromolecular Theory and Simulations, 16 (9). pp. 779-784. ISSN 1022-1344

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Item Type:Article
Item Status:Live Archive

Abstract

Cell dynamics simulation (CDS) is a very promising approach to model dynamic processes in block copolymer systems at the mesoscale level. It is difficult to implement a real time and experimental-scale simulation with traditional serial algorithms because of the expensive computation. A parallel, spatial decomposition-based algorithm for large-scale CDS is proposed. With the efficient strategy of domain decomposition and the fast method of neighbouring points location, we greatly reduce the calculating and communicating cost. The numerical results indicate that the proposed parallel algorithm can provide an efficient procedure for computer simulation of block copolymer systems of experimental size. © 2007 WILEY-VCH Verlag GmbH & Co. KGaA.

Keywords:Block copolymers, Computational methods, Computer simulation, Numerical methods, Cell dynamics simulation, Domain decomposition, Parallel algorithms
Subjects:F Physical Sciences > F162 Polymer Chemistry
Divisions:College of Science > School of Mathematics and Physics
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ID Code:14967
Deposited On:22 Sep 2014 10:56

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