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

DOI10.1007/S00220-023-04788-5MaRDI QIDQ6135938OpenAlexFDO

Authors Marco Cicalese, Leonard Kreutz, Gian Paolo Leonardi

Publication date 28 August 2023

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

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

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)

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.

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Cited in

(3)

• 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
• The BCC Lattice in a Long-Range Interaction System

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