Designing patchy interactions to self-assemble arbitrary structures
arXiv:2007.15873 · doi:10.1103/PhysRevLett.125.118003
Abstract
One of the fundamental goals of nanotechnology is to exploit selective and directional interactions between molecules to design particles that self-assemble into desired structures, from capsids, to nano-clusters, to fully formed crystals with target properties (e.g. optical, mechanical, etc.). Here we provide a general framework which transforms the inverse problem of self-assembly of colloidal crystals into a Boolean satisfiability problem for which solutions can be found numerically. Given a reference structure and the desired number of components, our approach produces designs for which the target structure is an energy minimum, and also allows to exclude solutions that correspond to competing structures. We demonstrate the effectiveness of our approach by designing model particles that spontaneously nucleate milestone structures such as the cubic diamond, the pyrochlore and the clathrate lattices.
12 pages, 3 figures
References in corpus (12)
- Towards a Tetravalent Chemistry of Colloids
- Self-Assembly of Patchy Particles into Diamond Structures through Molecular Mimicry
- The Statistical Mechanics of Dynamic Pathways to Self-assembly
- Entropically Patchy Particles: Engineering Valence through Shape Entropy
- Optimized Interactions for Targeted Self-Assembly: Application to Honeycomb Lattice
- DNA-Programmed Mesoscopic Architecture
- Turning Statistical Physics Models Into Materials Design Engines
- Designed Diamond Ground State via Optimized Isotropic Monotonic Pair Potentials
- Inverse Statistical Mechanics: Probing the Limitations of Isotropic Pair Potentials to Produce Ground-State Structural Extremes
- Programming patchy particles to form complex periodic structures
- Inverse design of charged colloidal particle interactions for self assembly into specified crystal structures
- Exploiting classical nucleation theory for reverse self-assembly
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- The physics of Empty Liquids: from Patchy particles to Water
- Designing the self-assembly of arbitrary shapes using minimal complexity building blocks
- Soft Metamaterials: Adaptation and Intelligence
- SAT-assembly: A new approach for designing self-assembling systems
- Design strategies for the self-assembly of polyhedral shells
- Programmable patchy particles for materials design
- Probing the Theoretical and Computational Limits of Dissipative Design
- A simple solution to the problem of self-assembling cubic diamond crystals
- Assembly of Complex Colloidal Systems Using DNA
- Neuroevolutionary learning of particles and protocols for self-assembly
- Inverse design of two-dimensional structure by self-assembly of patchy particles
- Guiding the self-assembly of colloidal diamond
- Designing 3D multicomponent self-assembling systems with signal-passing building blocks
- Automating Blueprints for Colloidal Quasicrystal Assembly
- Multi-objective optimization for targeted self-assembly among competing polymorphs
- Two-step nucleation in a binary mixture of Patchy Particles
- How do particles with complex interactions self-assemble?
- Simultaneous optimization of assembly time and yield in programmable self-assembly
- Phase Field Crystal model for particles with n-fold rotational symmetry in two dimensions