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A new atomic cluster structure corresponding to the global minimum of the 98-atom Lennard-Jones cluster has been found using a variant of the basin-hopping global optimization algorithm. The new structure has an unusual tetrahedral symmetry…

Condensed Matter · Physics 2007-05-23 Robert Leary , Jonathan Doye

The Lennard-Jones (LJ) Potential Energy Problem is to construct the most stable form of $N$ atoms of a molecule with the minimal LJ potential energy. This problem has a simple mathematical form $f(x) = 4\sum_{i=1}^N \sum_{j=1,j<i}^N…

Computational Physics · Physics 2011-01-04 Jiapu Zhang

We show that the stability constant of the Lennard-Jones potential in $\mathbb R^3$, $\Phi(x)=\lVert x \rVert^{-12}-2 \lVert x \rVert^{-6}$, is smaller than $14.316$. This is remarkably smaller than the best previously known bound. Our…

Mathematical Physics · Physics 2015-10-14 Sergio Andrés Yuhjtman

We present a new theoretical framework for modelling the fusion process of Lennard-Jones (LJ) clusters. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we…

Atomic and Molecular Clusters · Physics 2009-09-29 Ilia A. Solovyov , Andrey V. Solovyov , Walter Greiner

We analyze the structure diagram for binary clusters of Lennard-Jones particles by means of a global optimization approach for a large range of cluster sizes, compositions and interaction energies and present a publicly accessible database…

Soft Condensed Matter · Physics 2017-10-03 Marko Mravlak , Thomas Kister , Tobias Kraus , Tanja Schilling

The simplified Lennard-Jones (LJ) potential minimization problem is $f(x)=4\sum_{i=1}^N \sum_{j=1,j<i}^N (\frac{1}{\tau_{ij}^6} -\frac{1}{\tau_{ij}^3}) {subject to} x\in \mathbb{R}^n,$ where $\tau_{ij}=(x_{3i-2}-x_{3j-2})^2…

Optimization and Control · Mathematics 2012-12-12 Jiapu Zhang

We address the problem of minimal actuator placement in linear systems so that the volume of the set of states reachable with one unit or less of input energy is lower bounded by a desired value. First, following the recent work of…

Optimization and Control · Mathematics 2016-12-30 V. Tzoumas , M. A. Rahimian , G. J. Pappas , A. Jadbabaie

This note establishes, first of all, the monotonic increase with $N$ of the average $K$-body energy of classical $N$-body ground state configurations with $N\geq K$ monomers that interact solely through a permutation-symmetric $K$-body…

Atomic and Molecular Clusters · Physics 2024-09-04 Michael K. -H. Kiessling , David J. Wales

The Erd\H os unit distance conjecture in the plane says that the number of pairs of points from a point set of size $n$ separated by a fixed (Euclidean) distance is $\leq C_{\epsilon} n^{1+\epsilon}$ for any $\epsilon>0$. The best known…

Classical Analysis and ODEs · Mathematics 2017-09-26 Alex Iosevich

This note advertises a simple necessary condition for optimality that any list $N\mapsto v^x(N)$ of computer-generated putative lowest average pair energies $v^x(N)$ of clusters that consist of $N$ monomers has to satisfy, whenever the…

Atomic and Molecular Clusters · Physics 2024-09-04 Michael K. -H. Kiessling

It has previously been proven that finding the globally minimum energy configuration of an atomic cluster belongs in the class of NP-hard problems. However, this proof is limited only to homonuclear clusters. This paper presents a new proof…

Atomic and Molecular Clusters · Physics 2007-05-23 G. W. Greenwood

The simplified Lennard-Jones (LJ) potential minimization problem is minimize f(x)=4\sum_{i=1}^N \sum_{j=1,j<i}^N (\tau_{ij}^{-6} -\tau_{ij}^{-3}) subject to x\in \mathbb{R}^n, where $\tau_{ij}=(x_{3i-2}-x_{3j-2})^2…

Mathematical Physics · Physics 2014-01-23 Jiapu Zhang

A novel unification for the problem of search of optimal clusters under a well pair potential function is presented. My formulation introduces appropriate sets and lattices from where efficient methods can address this problem. First, as…

Mathematical Physics · Physics 2007-05-23 Carlos Barron

For the classical N-body problem, an approach is proposed based on the introduction of some natural in the physical sense optimization problems of mathematical programming for finding a conditional minimum for the characteristics of the…

Dynamical Systems · Mathematics 2023-07-26 Igor Pavlov

We study the lowest energy E of a relativistic system of N identical bosons bound by pair potentials of the form V(r_{ij}) = g(r_{ij}^2) in three spatial dimensions. In natural units hbar = c = 1 the system has the semirelativistic…

Mathematical Physics · Physics 2009-11-10 Richard L. Hall , Wolfgang Lucha , Franz F. Schoeberl

We consider N-body problems with homogeneous potential $1/r^{2\kappa}$ where $\kappa\in(0,1)$, including the Newtonian case ($\kappa=1/2$). Given $R>0$ and $T>0$, we find a uniform upper bound for the minimal action of paths binding in time…

Dynamical Systems · Mathematics 2015-02-24 Ezequiel Maderna

We give a shorter proof of a slightly weaker version of a theorem of Nets Katz and the author. We prove that if a set of $L$ lines in $\mathbb{R}^3$ contains at most $L^{1/2}$ lines in any low degree algebraic surface, then the number of…

Combinatorics · Mathematics 2014-11-12 Larry Guth

The family of planar linear chains are found as collision-free action minimizers of the spatial $N$-body problem with equal masses under $D_N$ or $D_N \times \zz_2$-symmetry constraint and different types of topological constraints. This…

Dynamical Systems · Mathematics 2018-05-02 Guowei Yu

We consider minimizers of the N-particle interaction potential energy and briefly review numerical methods used to calculate them. We consider simple pair potentials which are repulsive at short distances and attractive at long distances,…

Numerical Analysis · Mathematics 2024-05-01 José A. Cañizo , Alejandro Ramos-Lora

For any integers $d, n \geq 2$ and $1/({\min\{n,d\}})^{0.4999} < \varepsilon<1$, we show the existence of a set of $n$ vectors $X\subset \mathbb{R}^d$ such that any embedding $f:X\rightarrow \mathbb{R}^m$ satisfying $$ \forall x,y\in X,\…

Information Theory · Computer Science 2017-11-10 Kasper Green Larsen , Jelani Nelson
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