Fine-Tuning of Colloidal Polymer Crystals by Molecular Simulation
arXiv:2305.04902 · doi:10.1103/PhysRevE.107.064605
Abstract
Through extensive molecular simulations we determine a phase diagram of attractive, flexible polymer chains in two and three dimensions. A surprisingly rich collection of distinct crystal morphologies appear, which can be finely tuned through the range of attraction. In three dimensions these include the face centered cubic, hexagonal close packed, simple hexagonal and body centered cubic crystals and the Frank-Kasper phase. A simple geometric model is proposed, based on the concept of cumulative neighbours of ideal crystals, which can accurately predict most of the observed structures and the corresponding transitions. The attraction range can thus be considered as an adjustable parameter for the design of colloidal polymer crystals with tailored morphologies.
arXiv comment11 pages, 9 figures
References in corpus (12)
- Finite-size corrections to the free energy of crystalline solids
- Stacking Entropy of Hard Sphere Crystals
- Digital Alchemy for Materials Design: Colloids and Beyond
- Elastic Lennard-Jones Polymers Meet Clusters -- Differences and Similarities
- Surface effects in the crystallization process of elastic flexible polymers
- Jamming in two-dimensional packings
- Advanced multicanonical Monte Carlo methods for efficient simulations of nucleation processes of polymers
- Buckling of self-assembled colloidal structures
- Conformations and diffusion of flexibly linked colloidal chains
- Brownian cluster dynamics with short range patchy interactions. Its application to polymers and step-growth polymerization
- Rheology of dilute cohesive granular gases
- Flexibility-induced effects in the Brownian motion of colloidal trimers