Parallel algorithm for numerical self-consistent field theory simulations of block copolymer structure |
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Authors: | Scott W Sides Glenn H Fredrickson |
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Affiliation: | Chemical Engineering II, Chemical Engineering, University of California at Santa Barbara (UCSB), Santa Barbara, CA 93106, USA |
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Abstract: | An efficient algorithm is presented for numerically evaluating a self-consistent field theoretic (SCFT) model of block copolymer structure. This algorithm is implemented on a distributed memory parallel cluster in order to solve the SCFT equations on large computational grids. Simulation results are presented for a two-component molten mixture of a symmetric ABA triblock copolymer with an A homopolymer. These results illustrate a case in which simulating a large system is required to resolve features with a wide range of length scales. |
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Keywords: | 61 25 Hq 61 43 Bn 64 75 +g 64 60 Cn 64 70 Nd |
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