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 (13)

• The Phase Diagram of Star Polymer Solutions
• Optimized Interactions for Targeted Self-Assembly: Application to Honeycomb Lattice
• Quasi-binary amorphous phase in a 3D system of particles with repulsive-shoulder interactions
• The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry
• Algorithmic design of self-assembling structures
• 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
• Predicting Patchy Particle Crystals: Variable Box Shape Simulations and Evolutionary Algorithms
• The zero-temperature phase diagram of soft-repulsive particle fluids
• Complex Phase Behavior of The System of Particles with Smooth Potential with Repulsive Shoulder and Attractive Well
• Designing isotropic interactions for self-assembly of complex lattices
• Self-assembly scenarios of patchy colloidal particles

Cited by in corpus (34)

• Inverse methods for design of soft materials
• Digital Alchemy for Materials Design: Colloids and Beyond
• Perspective: Inverse methods for material design
• Turning Statistical Physics Models Into Materials Design Engines
• Engineering Entropy for the Inverse Design of Colloidal Crystals from Hard Shapes
• Inverse Design for Self Assembly via On-the-Fly Optimization
• Probabilistic inverse design for self assembling materials
• Assembly of nothing: Equilibrium fluids with designed structured porosity
• Inverse Statistical Mechanics: Probing the Limitations of Isotropic Pair Potentials to Produce Ground-State Structural Extremes
• Designing convex repulsive pair potentials that favor assembly of kagome and snub square lattices
• Equilibrium cluster fluids: Pair interactions via inverse design
• Inverse Design of Multicomponent Assemblies
• Interactions and design rules for assembly of porous colloidal mesophases
• Dimensionality and design of isotropic interactions that stabilize honeycomb, square, simple cubic, and diamond lattices
• Non-Close-Packed Three-Dimensional Quasicrystals
• Programming patchy particles to form complex periodic structures
• Implicit Chain Particle Model for Polymer Grafted Nanoparticles
• Designing Pairwise Interactions that Stabilize Open Crystals: Truncated Square and Truncated Hexagonal Lattices
• Using the uncertainty principle to design simple interactions for targeted self-assembly
• Structural characterization and statistical-mechanical model of epidermal patterns
• Breadth versus depth: Interactions that stabilize particle assemblies to changes in density or temperature
• Phase Behavior of Materials with Isotropic Interactions Designed by Inverse Strategies to Favor Diamond and Simple Cubic Lattice Ground States
• Free-Energy Functional Method for Inverse Problem of Self Assembly
• Stripe phase of two-dimensional core-softened systems: structure recognition
• Insight into liquid polymorphism from the complex phase behaviour of a simple model
• Design of two-dimensional particle assemblies using isotropic pair interactions with an attractive well
• The Role of Pressure in Inverse Design for Assembly
• Graphoepitaxy for Pattern Multiplication of Nanoparticle Monolayers
• Self-assembly of complex structures in colloid-polymer mixtures
• Fine discretization of pair interactions and an approximate analytical strategy for predicting equilibrium behavior of complex fluids
• 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
• Graphoepitaxy for translational and orientational ordering of monolayers of rectangular nanoparticles
• relentless: Transparent, reproducible molecular dynamics simulations for optimization