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

DOI10.1007/S00220-023-04788-5arXiv2204.12892OpenAlexW4383737669MaRDI 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)

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Cited In (2)

• Minimizing atomic configurations of short range pair potentials in two dimensions: crystallization in the Wulff shape
• Finite Crystallization and Wulff shape emergence for ionic compounds in the square lattice

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