Collective coordinate control of density distributions

Obioma U. Uche, Salvatore Torquato, and Frank H. Stillinger
Phys. Rev. E 74, 031104 – Published 6 September 2006

Abstract

Real collective density variables C(k) [cf. Eq. (1.3)] in many-particle systems arise from nonlinear transformations of particle positions, and determine the structure factor S(k), where k denotes the wave vector. Our objective is to prescribe C(k) and then to find many-particle configurations that correspond to such a target C(k) using a numerical optimization technique. Numerical results reported here extend earlier one- and two-dimensional studies to include three dimensions. In addition, they demonstrate the capacity to control S(k) in the neighborhood of k=0. The optimization method employed generates multiparticle configurations for which S(k)kα, kK, and α=1, 2, 4, 6, 8, and 10. The case α=1 is relevant for the Harrison-Zeldovich model of the early universe, for superfluid He4, and for jammed amorphous sphere packings. The analysis also provides specific examples of interaction potentials whose classical ground states are configurationally degenerate and disordered.

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  • Received 30 March 2006

DOI:https://doi.org/10.1103/PhysRevE.74.031104

©2006 American Physical Society

Authors & Affiliations

Obioma U. Uche1, Salvatore Torquato2,3,4,5, and Frank H. Stillinger2

  • 1Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544, USA
  • 2Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA
  • 3Princeton Institute for the Science and Technology of Materials, Princeton University, Princeton, New Jersey 08544, USA
  • 4Program in Applied & Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USA
  • 5Princeton Center for Theoretical Physics, Princeton University, Princeton, New Jersey 08544, USA

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Issue

Vol. 74, Iss. 3 — September 2006

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