相关论文: Local optimality of cubic lattices for interaction…
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…
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 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…
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 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 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…
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…
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…
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…
We investigate the isoperimetric problem for the Voronoi cells of three-dimensional lattices. Using Selling parameters, we derive an explicit closed formula for the scale-invariant isoperimetric quotient $F$ in terms of six non-negative…
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 develop a numerical method for solving a class of optimization problems known as optimal location or quantization problems. The target energy can be written either in terms of atomic measures and the Wasserstein distance or…
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 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 study the minimality properties of a new type of "soft" theta functions. For a lattice $L\subset \mathbb{R}^d$, a $L$-periodic distribution of mass $\mu_L$ and an other mass $\nu_z$ centred at $z\in \mathbb{R}^d$, we define, for all…
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 give a sufficient condition on a family of radial parametrized long-range potentials for a compact local minimality of a given $d$-dimensional Bravais lattice for its total energy of interaction created by each potential. This work is…
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,…
Certain types of neurons, called "grid cells", have been shown to fire on a triangular grid when an animal is navigating on a two-dimensional environment, whereas recent studies suggest that the face-centred-cubic (FCC) lattice is the good…
A unified treatment of slip and twinning in Bravais lattices is given, focussing on the case of cubic symmetry, and using the Ericksen energy well formulation, so that interfaces correspond to rank-one connections between the infinitely…