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An efficient algorithm for nucleation studies of particles using the octree data structure

✍ Scribed by Bruce B. Lowekamp; John C. Schug

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
1015 KB
Volume
76
Category
Article
ISSN
0010-4655

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✦ Synopsis

An efficient algorithm is described for studying the nucleation properties of particles with short-range potential using Monte Carlo simulation. The hierarchical division method, implemented through an octree structure in which we repeatedly decompose the simulation cube into eight sub-cubes, is used to decrease the time required for the simulation. An efficient region search algorithm is introduced for the potential and cluster member calculations. Algorithms which perform the calculation of cluster properties of the system in ~9(N log N) time are introduced. These algorithms allow the study of systems with over 100000 particles in less than a day using moderately sized workstations.

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