The inverse design of target material structures is a fundamental challenge. Here, we demonstrate the direct inverse design of soft materials for target crystal structures using entropy alone. Our approach does not require any geometric ansatz. Instead, it efficiently samples 92- or 188-dimensional building-block parameter spaces to determine thermodynamically optimal shapes. We present detailed data for optimal particle characteristics and parameter tolerances for six target structures. Our results demonstrate a general, rational, and precise method for engineering new colloidal materials, and will guide nanoparticle synthesis to realize these materials.
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Authors
Yina Geng
Department of Physics, University of Michigan, Ann Arbor
University of Michigan
Greg van Anders
University of Michigan
Department of Chemical Engineering, University of Michigan, Ann Arbor
Univ of Michigan - Ann Arbor
Paul M. Dodd
Department of Chemical Engineering, University of Michigan, Ann Arbor
University of Michigan
Univ of Michigan - Ann Arbor
Sharon Glotzer
Univ of Michigan - Ann Arbor
University of Michigan
Department of Chemical Engineering, Department of Physics, Department of Material Science and Engineering, University of Michigan, Ann Arbor
Department of Physics, Department of Chemical Engineering, University of Michigan
Department of Chemical Engineering, Department of Material Science and Engineering
Department of Chemical Engineering, University of Michigan, Ann Arbor
