Minimization of energy per particle among Bravais lattices in R^2: Lennard-Jones and Thomas-Fermi cases

DOI10.1142/S0219199714500497zbMATH Open1329.82019arXiv1402.2751OpenAlexW2963815608MaRDI QIDQ3465799FDOQ3465799

Authors: Laurent Bétermin, Peng Zhang 

Publication date: 22 January 2016

Published in: Communications in Contemporary Mathematics (Search for Journal in Brave)

Abstract: We study the two dimensional Lennard-Jones energy per particle of lattices and we prove that the minimizer among Bravais lattices with sufficiently large density is triangular and that is not the case for sufficiently small density. We give other results about the global minimizer of this energy. Moreover we study the energy per particle stemming from Thomas-Fermi model in two dimensions and we prove that the minimizer among Bravais lattices with fixed density is triangular. We use a result of Montgomery from Number Theory about the minimization of Theta functions in the plane.

Full work available at URL: https://arxiv.org/abs/1402.2751

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zbMATH Keywords

Bessel functiontheta functionsLennard-Jones potentialtriangular latticecrystallizationThomas-Fermi modellattice energy

Mathematics Subject Classification ID

PDEs in connection with quantum mechanics (35Q40) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Packing and covering in (2) dimensions (aspects of discrete geometry) (52C15)

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Cited In (23)

• Local optimality of cubic lattices for interaction energies
• Classification of particle numbers with unique Heitmann-Radin minimizer
• Minimizing lattice structures for Morse potential energy in two and three dimensions
• Face-centered cubic crystallization of atomistic configurations
• Lattice ground states for embedded-atom models in 2D and 3D
• Two-dimensional theta functions and crystallization among Bravais lattices
• On minima of difference of theta functions and application to hexagonal crystallization
• Approximate energy minimization for large Lennard-Jones clusters
• Optimal and non-optimal lattices for non-completely monotone interaction potentials
• Two-dimensional Wigner crystals of classical Lennard-Jones particles
• Energy minimization of repelling particles on a toric grid
• Spectrally optimized pointset configurations
• Optimality of the triangular lattice for a particle system with Wasserstein interaction
• Optimal \(N\)-point configurations on the sphere: ``magic numbers and Smale's 7th problem
• Boundary homogenization and capture time distributions of semipermeable membranes with periodic patterns of reactive sites
• Dimension reduction techniques for the minimization of theta functions on lattices
• On minima of sum of theta functions and application to Mueller-Ho conjecture
• Minimal soft lattice theta functions
• Effect of periodic arrays of defects on lattice energy minimizers
• Optimality of the triangular lattice for Lennard–Jones type lattice energies: a computer-assisted method
• On Born's conjecture about optimal distribution of charges for an infinite ionic crystal
• Optimal lattice configurations for interacting spatially extended particles
• Local variational study of 2d lattice energies and application to Lennard-Jones type interactions

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