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

Mikael Rechtsman·Frank Stillinger·Salvatore Torquato
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Abstract

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 (non-directional) 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 bandgap properties.

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Mikael Rechtsman, Frank Stillinger, Salvatore Torquato. 2005-08-20. Optimized Interactions for Targeted Self-Assembly: Application to Honeycomb Lattice. https://doi.org/10.1103/physrevlett.95.228301

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