Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states

Abstract

We demonstrate that inverse statistical mechanical optimization can be used to discover simple (e.g., short-range, isotropic, and convex-repulsive) pairwise interparticle potentials with three-dimensional diamond or simple cubic lattice ground states over a wide range of densities.

5 pages, 4 figures

References in corpus (5)

• Quasi-binary amorphous phase in a 3D system of particles with repulsive-shoulder interactions
• Synthetic Diamond and Wurtzite Structures Self-Assemble with Isotropic Pair Interactions
• Self-assembly of the simple cubic lattice with an isotropic potential
• Anomalous phase behavior of a soft-repulsive potential with a strictly monotonic force
• The zero-temperature phase diagram of soft-repulsive particle fluids

Cited by in corpus (13)

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• Dimensionality and design of isotropic interactions that stabilize honeycomb, square, simple cubic, and diamond lattices
• Programming patchy particles to form complex periodic structures
• Structural characterization and statistical-mechanical model of epidermal patterns
• Free-Energy Functional Method for Inverse Problem of Self Assembly
• Stripe phase of two-dimensional core-softened systems: structure recognition
• Design of two-dimensional particle assemblies using isotropic pair interactions with an attractive well
• Graphoepitaxy for Pattern Multiplication of Nanoparticle Monolayers
• Realizability of Iso-$g_2$ Processes via Effective Pair Interactions
• Predicting the structure of fluids with piecewise constant interactions: Comparing the accuracy of five efficient integral equation theories