Related papers: Minimizing lattice structures for Morse potential …
We consider pairwise interaction energies and we investigate their minimizers among lattices with prescribed minimal vectors (length and coordination number), i.e. the one corresponding to the crystal's bonds. In particular, we show the…
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 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 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 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 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 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…
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 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,…
Consider the energy per particle on the lattice given by $\min_{ \Lambda }\sum_{ \mathbb{P}\in \Lambda} \left|\mathbb{P}\right|^4 e^{-\pi \alpha \left|\mathbb{P}\right|^2 }$, where $\alpha >0$ and $\Lambda$ is a two dimensional lattice. We…
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…
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…
A smooth path of rearrangement from the body-centered cubic (bcc) to the face-centered cubic (fcc) lattice is obtained by introducing a single parameter to cuboidal lattice vectors. As a result, we obtain analytical expressions in terms of…
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…
Body-centered Cubic (BCC) lattice structures demonstrate promising performance for applications that require simultaneous mechanical energy absorption and thermal management. However, current optimization approaches are typically confined…
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…
The relation between three-dimensional lattice structure and magnetism in correlated electron systems is explored for face centered cubic (FCC), body centered cubic (BCC), and simple cubic (SC) lattices. In particular, we question which…
We map certain highly correlated electron systems on lattices with geometrical frustration in the motion of added particles or holes to the spatial defect-defect correlations of dimer models in different geometries. These models are studied…
We use linear programming bounds to analyze point sets in the torus with respect to their optimality for problems in discrepancy theory and quasi-Monte Carlo methods. These concepts will be unified by introducing tensor product energies. We…