Journal
PHYSICAL REVIEW E
Volume 104, Issue 2, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.104.024703
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Funding
- state of Baden-Wurttemberg through bwHPC
- German Research Foundation (DFG) [INST 39/963-1 FUGG]
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This study investigates the properties of thin smectic fibrils composed of chiral rodlike particles using Monte Carlo simulations, finding that the layers of the fibrils relax into a twisted state naturally and showing a slight preference for an alternating sequence. The fibrils contract with increasing chiral interaction strength, indicating potential for further research on self-assembled functional materials.
Inspired by recent experimental work on virus-polymer mixtures, we study the properties of thin smectic fibrils composed of chiral rodlike particles using Monte Carlo simulations. Due to the interplay between surface energy, elastic deformation energy, and entropic effects, the fibril's layers relax into a twisted state. We focus our study on the layers' twist direction and map our results to the antiferromagnetic Ising model. In this view, the chiral interaction mimics an external field that drives the layers to have the same sense of twist. Besides, we determine the free energy difference and barrier height between an alternating and a nonalternating sequence of twisted layers composed of achiral rods and find that an alternating sequence is slightly preferred. We also see that the fibrils contract on increasing the chiral interaction strength and think that further studies on self-assembled functional materials can use our results.
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