Interfacial energies of systems of chiral molecules

DOI10.1137/15M104894XMaRDI QIDQ5298151zbMATH OpenOpenAlexFDO

Authors Andrea Braides, Adriana Garroni, Mariapia Palombaro

Publication date 13 December 2016

Published in Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1512.01123

zbMATH Keywords

\(\Gamma\)-convergencelattice systemsWulff shapesinterfacial energiescrystalline energieschiral molecules

Mathematics Subject Classification ID

Variational problems in a geometric measure-theoretic setting (49Q20) Methods involving semicontinuity and convergence; relaxation (49J45) Discrete approximations in optimal control (49M25)

Abstract: We consider a simple model for the assembly of chiral molecules in two dimensions driven by maximization of the contact area. We derive a macroscopic model described by a parameter taking nine possible values corresponding to the possible minimal microscopic patterns and modulated phases of the chiral molecules. We describe the overall behaviour by means of an interaction energy of perimeter type between such phases. This energy is a crystalline perimeter energy, highlighting preferred directions for the interfaces between ensembles of molecules labelled by different values of the parameter.

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Cites work

• scientific article; zbMATH DE number 1865939 (Why is no real title available?)
• Continuum surface energy from a lattice model
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• Functionals defined on partitions in sets of finite perimeter. II: Semicontinuity, relaxation and homogenization
• Homogenization by blow-up
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• Phase and anti-phase boundaries in binary discrete systems: a variational viewpoint
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Cited in

(5)

• Chiral discrimination for a system of tetrahedral molecules on a triangular lattice
• Variational analysis of a two-dimensional frustrated spin system: emergence and rigidity of chirality transitions
• Chirality-dependent macroscopic force between chiral molecules and achiral matter
• Interfaces, modulated phases and textures in lattice systems
• Density of polyhedral partitions

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