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Phys. Rev. Lett. 95, 228301 (2005) [4 pages]

Optimized Interactions for Targeted Self-Assembly: Application to a Honeycomb Lattice

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Mikael C. Rechtsman1, Frank H. Stillinger2, and Salvatore Torquato2,3,*
1Department of Physics, Princeton University, Princeton, New Jersey 08544, USA
2Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA
3Program in Applied and Computational Mathematics and PRISM, Princeton University, Princeton, New Jersey 08544, USA

See Also: Erratum

Received 25 May 2005; published 21 November 2005

We devise an inverse statistical-mechanical methodology to find optimized interaction potentials that lead spontaneously to a target many-particle configuration. Target structures can possess varying degrees of disorder, thus extending the traditional idea of self-assembly to incorporate both amorphous and crystalline structures as well as quasicrystals. For illustration purposes, our computational technique is applied to yield an optimized isotropic (nondirectional) pair potential that spontaneously yields the three-coordinated honeycomb lattice as the ground state structure in two dimensions. This target choice is motivated by its three-dimensional analog, the diamond lattice, which is known to possess desirable photonic band gap properties.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.95.228301
DOI:
10.1103/PhysRevLett.95.228301
PACS:
82.70.Dd, 81.16.Dn

*Electronic address: torquato@electron.princeton.edu

See Also

Erratum: Mikael Rechtsman, Frank Stillinger, and Salvatore Torquato, Erratum: Optimized Interactions for Targeted Self-Assembly: Application to a Honeycomb Lattice [Phys. Rev. Lett. 95, 228301 (2005)], Phys. Rev. Lett. 97, 239901 (2006).