Inverse design of compression-induced solid – solid transitions in colloids
| Autor: | Paul M. Dodd, Julia Dshemuchadse, Sharon C. Glotzer, Chrisy Xiyu Du, Greg van Anders |
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| Rok vydání: | 2020 |
| Předmět: |
endocrine system
Materials science 010304 chemical physics General Chemical Engineering digestive oral and skin physiology Monte Carlo method Rational design Inverse 02 engineering and technology General Chemistry Mechanics 021001 nanoscience & nanotechnology Condensed Matter Physics complex mixtures 01 natural sciences body regions Colloid Colloidal particle Modeling and Simulation Compression (functional analysis) 0103 physical sciences General Materials Science Self-assembly 0210 nano-technology Information Systems |
| Zdroj: | Molecular Simulation. 46:1037-1044 |
| ISSN: | 1029-0435 0892-7022 |
| Popis: | Ongoing developments in colloidal particle synthesis show promise for using colloids as building blocks for reconfigurable, functional materials, but their rational design remains a challenge. Recent efforts to inversely design a colloidal particle from a self-assembled target structure at a single state point have proven successful even for complex colloidal crystals, replacing trial-and-error searches. Can such approaches be used to design a particle capable of assembling into multiple target structures under multiple conditions, thereby designing a reconfigurable colloidal crystal? Here we present a computational approach for the design of colloids that exhibit distinct target behaviours under different thermodynamic conditions. By extending the digital alchemy inverse design framework to multiple state points, we design hard particle shapes that entropically self-assemble two different colloidal crystal structures at two different densities; upon a small density change, the system reliably reconfigures between the two solids. We also find that the optimal shape satisfying two constraints is not simply an average of the two optimal shapes from each state point, and therefore is not easily intuited. |
| Databáze: | OpenAIRE |
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