Related papers: On energy ground states among crystal lattice stru…
We investigate the local and global optimality of the triangular, square, simple cubic, face-centred-cubic (FCC), body-centred-cubic (BCC) lattices and the hexagonal-close-packing (HCP) structure for a potential energy per point generated…
The Riesz potential $f_s(r)=r^{-s}$ is known to be an important building block of many interactions, including Lennard-Jones type potentials $f_{n,m}^{\rm{LJ}}(r):=a r^{-n}-b r^{-m}$, $n>m$ that are widely used in Molecular Simulations. In…
We investigate the minimization of the energy per point $E\_f$ among $d$-dimensional Bravais lattices, depending on the choice of pairwise potential equal to a radially symmetric function $f(|x|^2)$. We formulate criteria for minimality and…
It is well-known that any Lennard-Jones type potential energy must have a periodic ground state given by a triangular lattice in dimension 2. In this paper, we describe a computer-assisted method that rigorously shows such global minimality…
In this paper, we focus on finite Bravais lattice energies per point in two dimensions. We compute the first and second derivatives of these energies. We prove that the Hessian at the square and the triangular lattice are diagonal and we…
We study the local optimality of Simple Cubic, Body-Centred-Cubic and Face-Centred-Cubic lattices among Bravais lattices of fixed density for some finite energy per point. Following the work of Ennola [Math. Proc. Cambridge, 60:855--875,…
We address the question of whether three-dimensional crystals are minimizers of classical many-body energies. This problem is of conceptual relevance as it presents a significant milestone towards understanding, on the atomistic level,…
We consider the minimizing problem for energy functionals with two types of competing particles and completely monotone potential on a lattice. We prove that the minima of sum of two completely monotone functions among lattices is located…
The ground-state of two-dimensional (2D) systems of classical particles interacting pairwisely by the generalized Lennard-Jones potential is studied. Taking the surface area per particle $A$ as a free parameter and restricting oneself to…
We study energy minimization for pair potentials among periodic sets in Euclidean spaces. We derive some sufficient conditions under which a point lattice locally minimizes the energy associated to a large class of potential functions. This…
The goal of this work is to investigate the optimality of the $d$-dimensional rock-salt structure, i.e., the cubic lattice $V^{1/d}\mathbb{Z}^d$ of volume $V$ with an alternation of charges $\pm 1$ at lattice points, among periodic…
We study point configurations on the torus $\mathbb T^d$ that minimize interaction energies with tensor product structure which arise naturally in the context of discrepancy theory and quasi-Monte Carlo integration. Permutation sets on…
We prove that the hexagonal lattice is a local minimizer, among all point configurations, of the interaction energy per unit volume for pair potentials that are completely monotonic functions of the square distance. This includes Gaussian…
We investigate lattice energies for radially symmetric, spatially extended particles interacting via a radial potential and arranged on the sites of a two-dimensional Bravais lattice. We show the global minimality of the triangular lattice…
In this paper, we study minimization problems among Bravais lattices for finite energy per point. We prove that if a function is completely monotonic, then the triangular lattice minimizes energy per particle among Bravais lattices with…
We consider finite discrete systems consisting of two different atomic types and investigate ground-state configurations for configurational energies featuring two-body short-ranged particle interactions. The atomic potentials favor some…
The Embedded-Atom Model (EAM) provides a phenomenological description of atomic arrangements in metallic systems. It consists of a configurational energy depending on atomic positions and featuring the interplay of two-body atomic…
We present two-dimensional crystallization results in the square lattice for finite particle systems consisting of two different atomic types. We identify energy minimizers of configurational energies featuring two-body short-ranged…
We study minimizers of the two-dimensional Ginzburg-Landau energy with applied magnetic field, between the first and second critical fields. In this regime, minimizing configurations exhibit densely packed hexagonal vortex lattices, called…
A space-periodic ground state is shown to exist for lattices of smeared ions in $\R^3$ coupled to the Schr\"odinger and scalar fields. The elementary cell is necessarily neutral. The 1D, 2D and 3D lattices in $\R^3$ are considered, and a…