A genetic search algorithm for optimizing the packing density of self-assembled multicomponent crystals of nanoparticles predicts several new structures with stoichiometries of AB (fused spheres), ABC2, ABC 3, ABC4 and AB2C2. These new structures have hierarchical layered or linear arrangements that could be useful for functional self-assembled systems. For example, the fused-sphere binary crystal assembles with zigzag rows of parallel nanowires. The genetic search suceeds while a comparable stochastic algorithm fails to find any structures better than the well-known unary or binary phase-separated systems.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics
- Mechanical Engineering