Crystallization in two dimensions and a discrete Gauss-Bonnet theorem

DOI10.1007/S00332-017-9401-6zbMATH Open1382.82047arXiv1605.00034OpenAlexW3105442708MaRDI QIDQ1702987FDOQ1702987

Authors: L. de Luca, Gero Friesecke 

Publication date: 1 March 2018

Published in: Journal of Nonlinear Science (Search for Journal in Brave)

Abstract: We show that the emerging field of discrete differential geometry can be usefully brought to bear on crystallization problems. In particular, we give a simplified proof of the Heitmann-Radin crystallization theorem (R. C. Heitmann, C. Radin, J. Stat. Phys. 22, 281-287, 1980), which concerns a system of $N$ identical atoms in two dimensions interacting via the idealized pair potential $V(r)=+infty$ if $r<1$, $-1$ if $r=1$, $0$ if $r>1$. This is done by endowing the bond graph of a general particle configuration with a suitable notion of {it discrete curvature}, and appealing to a {it discrete Gauss-Bonnet theorem} (O. Knill, Elem. Math. 67, 1-17, 2012) which, as its continuous cousins, relates the sum/integral of the curvature to topological invariants. This leads to an exact geometric decomposition of the Heitmann-Radin energy into (i) a combinatorial bulk term, (ii) a combinatorial perimeter, (iii) a multiple of the Euler characteristic, and (iv) a natural topological energy contribution due to defects. An analogous exact geometric decomposition is also established for soft potentials such as the Lennard-Jones potential $V(r)=r^{-6}-2r^{-12}$, where two additional contributions arise, (v) elastic energy and (vi) energy due to non-bonded interactions.

Full work available at URL: https://arxiv.org/abs/1605.00034

Recommendations

• A proof of crystallization in two dimensions
• On the crystallization of 2D hexagonal lattices
• Crystalline measures in two dimensions
• Crystallization to the square lattice for a two-body potential
• Some recent results on 2D crystallization for sticky disc models and generalizations for systems of oriented particles
• The crystallization conjecture: a review
• Crystallization of the Bogoyavlensky Lattice
• The phase problem for two-dimensional crystals. I: Theory
• 2-dimensional flat curvature flow of crystals
• The phase problem for two-dimensional crystals. II: Simulations

zbMATH Keywords

energy minimizationdiscrete differential geometrycrystallizationGauss-Bonnet theoreminteraction potential

Mathematics Subject Classification ID

Planar graphs; geometric and topological aspects of graph theory (05C10) Statistical mechanics of crystals (82D25) Crystalline structure (74E15)

Cites Work

• Title not available (Why is that?)
• Geometric measure theory.
• Title not available (Why is that?)
• Face-centered cubic crystallization of atomistic configurations
• Flows in complex networks: theory, algorithms, and application to lennard-Jones cluster rearrangement
• A proof of crystallization in two dimensions
• Combinatorial curvature for planar graphs
• Gradient theory for plasticity via homogenization of discrete dislocations
• Title not available (Why is that?)
• A discrete Gauss-Bonnet type theorem
• Minimizing atomic configurations of short range pair potentials in two dimensions: crystallization in the Wulff shape
• Packing twelve spherical caps to maximize tangencies
• On the crystallization of 2D hexagonal lattices
• Crystallization in carbon nanostructures
• Sharp \(N^{3/4}\) law for the minimizers of the edge-isoperimetric problem on the triangular lattice
• Lower bound for the interatomic distance in Lennard-Jones clusters
• Ground states of the 2D sticky disc model: fine properties and \(N^{3/4}\) law for the deviation from the asymptotic Wulff shape
• The crystallization conjecture: a review
• Classification of particle numbers with unique Heitmann-Radin minimizer

Cited In (25)

• Vectorial crystallization problems and collective behavior
• Crystallization in the hexagonal lattice for ionic dimers
• Classification of particle numbers with unique Heitmann-Radin minimizer
• Minimizing lattice structures for Morse potential energy in two and three dimensions
• The crystallization conjecture: a review
• \(\mathit\Gamma\)-convergence of the Heitmann-Radin sticky disc energy to the crystalline perimeter
• Crystallization to the square lattice for a two-body potential
• On energy ground states among crystal lattice structures with prescribed bonds
• On the optimality of the rock-salt structure among lattices with charge distributions
• A proof of finite crystallization via stratification
• Emergence of rigid polycrystals from atomistic systems with Heitmann-Radin sticky disk energy
• Maximal fluctuations on periodic lattices: an approach via quantitative Wulff inequalities
• Optimal and non-optimal lattices for non-completely monotone interaction potentials
• Typical ground states for large sets of interactions
• No crystallization to honeycomb or Kagomé in free space
• Emergence of Wulff-crystals from atomistic systems on the FCC and HCP lattices
• Optimality of the triangular lattice for Lennard–Jones type lattice energies: a computer-assisted method
• Three‐dimensional lattice ground states for Riesz and Lennard‐Jones–type energies
• Asymptotic optimality of the triangular lattice for a class of optimal location problems
• Pathwise regularisation of singular interacting particle systems and their mean field limits
• On Born's conjecture about optimal distribution of charges for an infinite ionic crystal
• Finite Crystallization and Wulff shape emergence for ionic compounds in the square lattice
• Optimal lattice configurations for interacting spatially extended particles
• Some recent results on 2D crystallization for sticky disc models and generalizations for systems of oriented particles
• Local variational study of 2d lattice energies and application to Lennard-Jones type interactions

This page was built for publication: Crystallization in two dimensions and a discrete Gauss-Bonnet theorem

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1702987)