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

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

2009-04-17

arxiv.org/abs/0904.2652v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

15 pages, 10 figures. Accepted by Computer Physics Communications

Scientific paper

10.1016/j.cpc.2009.04.002

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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