Dense Regular Packings of Irregular Non-Convex Particles

Abstract

We present a new numerical scheme to study systems of non-convex, irregular, and punctured particles in an efficient manner. We employ this method to analyze regular packings of odd-shaped bodies, not only from a nanoparticle but also both from a computational geometry perspective. Besides determining close-packed structures for many shapes, we also discover a new denser configuration for Truncated Tetrahedra. Moreover, we consider recently synthesized nanoparticles and colloids, where we focus on the excluded volume interactions, to show the applicability of our method in the investigation of their crystal structures and phase behavior. Extensions to the presented scheme include the incorporation of soft particle-particle interactions, the study of quasicrystalline systems, and random packings.

4 pages, 3 figures

References in corpus (3)

• Disordered, Quasicrystalline and Crystalline Phases of Densely Packed Tetrahedra
• Divide and concur: A general approach to constraint satisfaction
• Anisotropic colloids through non-trivial buckling

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