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Phys. Rev. E 55, 7313–7333 (1997)

Numerical studies of second- and fourth-order correlation functions in cluster-cluster aggregates in application to optical scattering

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Vadim A. Markel, Vladimir M. Shalaev, and Evgeni Y. Poliakov
Department of Physics, New Mexico State University, Las Cruces, New Mexico 88003

Thomas F. George
Office of the Chancellor/Department of Chemistry and Department of Physics and Astronomy, University of Wisconsin-Stevens Point,

Received 13 November 1996; published in the issue dated June 1997

Two- and four-point density correlation functions p2(r) and p4(r) are studied numerically and theoretically in computer-generated three-dimensional lattice cluster-cluster aggregates (CCA) with the number of particles N up to 20 000 in application to the light scattering problem. The ``pure'' aggregation algorithm is used, where subclusters of all possible sizes are allowed to collide. We find that large CCA clusters demonstrate pronounced multiscaling. In particular, the fractal dimension determined from the slope of p2(r) at small distances differs from that found from the dependence of the radius of gyration on the number of monomers (according to our data, 1.80 and 1.94, respectively). We also consider different functional forms for p2 and their general properties and applicability. We find that the best fit to the numerical data is provided by the generalized exponential cutoff function with coefficients depending on N. The latter dependence is a manifestation of multiscaling. We propose some theoretical approaches for calculating p4(r), assuming p2(r) is known. In particular, we find the small-r asymptote for the p4(r) and verify it numerically. In addition, we find that p4(r) cannot be represented by a scaling dependence with a cutoff function, like p2(r). Instead, p4(r) is given by an expansion in terms of integer powers of r2D-3, where D is the fractal dimension (≈1.8 for CCA clusters).

© 1997 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.55.7313
DOI:
10.1103/PhysRevE.55.7313
PACS:
61.43.Hv, 71.45.Gm, 42.25.Fx