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arXiv · 0904.2652

CaSPA - an Algorithm for Calculation of the Size of Percolating Aggregates

James E. Magee·Helen Dutton·Flor R. Siperstein
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Abstract

We present an algorithm (CaSPA) which accounts for the effects of periodic boundary conditions in the calculation of size of percolating aggregated clusters. The algorithm calculates the gyration tensor, allowing for a mixture of infinite (macroscale) and finite (microscale) principle moments. Equilibration of a triblock copolymer system from a disordered initial configuration to a hexagonal phase is examined using the algorithm.

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James E. Magee, Helen Dutton, Flor R. Siperstein. 2009-04-17. CaSPA - an Algorithm for Calculation of the Size of Percolating Aggregates. https://doi.org/10.1016/j.cpc.2009.04.002

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