Emergence of Wulff-crystals from atomistic systems on the FCC and HCP lattices

DOI10.1007/S00220-023-04788-5OpenAlexW4383737669MaRDI QIDQ6135938FDOQ6135938

Authors: Marco Cicalese, Leonard Kreutz, Gian Paolo Leonardi 

Publication date: 28 August 2023

Published in: Communications in Mathematical Physics (Search for Journal in Brave)

Abstract: We consider a system of $N$ hard spheres sitting on the nodes of either the $mathrmFCC$ or $mathrmHCP$ lattice and interacting via a sticky-disk potential. As $N$ tends to infinity (continuum limit), assuming the interaction energy does not exceed that of the ground-state by more than $N^{2/3}$ (surface scaling), we obtain the variational coarse grained model by $Gamma$-convergence. More precisely, we prove that the continuum limit energies are of perimeter type and we compute explicitly their Wulff shapes. Our analysis shows that crystallization on $mathrmFCC$ is preferred to that on $mathrmHCP$ for $N$ large enough. The method is based on integral representation and concentration-compactness results that we prove for general periodic lattices in any dimension.

Full work available at URL: https://arxiv.org/abs/2204.12892

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zbMATH Keywords

periodic latticescrystallization problemWulff-crystals

Mathematics Subject Classification ID

Variational problems in a geometric measure-theoretic setting (49Q20) Atomic physics (81V45) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Statistical mechanics of crystals (82D25)

Cites Work

• scientific article; zbMATH DE number 2060183 (Why is no real title available?)
• scientific article; zbMATH DE number 1865939 (Why is no real title available?)
• scientific article; zbMATH DE number 1448982 (Why is no real title available?)
• A proof of crystallization in two dimensions
• A proof of the Kepler conjecture
• A uniqueness proof for the Wulff Theorem
• Asymptotic expansions by \(\Gamma \)-convergence
• Classification of particle numbers with unique Heitmann-Radin minimizer
• Computational chemistry. Introduction to the theory and applications of molecular and quantum mechanics
• Continuum limits of discrete isoperimetric problems and Wulff shapes in lattices and quasicrystal tilings
• Crystallinity of the Homogenized Energy Density of Periodic Lattice Systems
• Crystallization in carbon nanostructures
• Crystallization in the hexagonal lattice for ionic dimers
• Crystallization in two dimensions and a discrete Gauss-Bonnet theorem
• Das Problem der dreizehn Kugeln
• Domain formation in magnetic polymer composites: an approach via stochastic homogenization
• Emergence of rigid polycrystals from atomistic systems with Heitmann-Radin sticky disk energy
• Face-centered cubic crystallization of atomistic configurations
• Finite Crystallization and Wulff shape emergence for ionic compounds in the square lattice
• Finite crystallization in the square lattice
• From discrete systems to continuous variational problems: an introduction
• Ground states of the 2D sticky disc model: fine properties and \(N^{3/4}\) law for the deviation from the asymptotic Wulff shape
• Interfacial energies on quasicrystals
• Local and nonlocal continuum limits of Ising-type energies for spin systems
• Maximal fluctuations around the Wulff shape for edge-isoperimetric sets in \({\mathbb{Z}}^d \): a sharp scaling law
• Maximal fluctuations on periodic lattices: an approach via quantitative Wulff inequalities
• Minimizing atomic configurations of short range pair potentials in two dimensions: crystallization in the Wulff shape
• On the crystallization of 2D hexagonal lattices
• Sharp \(N^{3/4}\) law for the minimizers of the edge-isoperimetric problem on the triangular lattice
• Strong \textit{BV}-extension and \(W^{1,1}\)-extension domains
• The crystallization conjecture: a review
• Wulff shape emergence in graphene
• \(N^{3/4}\) law in the cubic lattice

Cited In (3)

• The BCC Lattice in a Long-Range Interaction System
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