Related papers: On the role of the Integrable Toda model in one-di…
We investigate the long term evolution of trajectories in the Fermi-Pasta-Ulam (FPU) system, using as a probe the first non--trivial integral $J$ in the hierarchy of integrals of the corresponding Toda lattice model. To this end we perform…
A numerical and analytical study of the relaxation to equilibrium of both the Fermi-Pasta-Ulam (FPU) alpha-model and the integrable Toda model, when the fundamental mode is initially excited, is reported. We show that the dynamics of both…
We study the equilibrium density profile of particles in two one-dimensional classical integrable models, namely hard rods and the hyperbolic Calogero model, placed in confining potentials. For both of these models the inter-particle…
The Lennard-Jones (LJ) potential is a cornerstone of Molecular Dynamics (MD) simulations and among the most widely used computational kernels in science. The potential models atomistic attraction and repulsion with century old prescribed…
At low energies, the excitation of low frequency packets of normal modes in the Fermi-Pasta-Ulam (FPU) and in the Toda model leads to exponentially localized energy profiles which resemble staircases and are identified by a slope $\sigma$…
The Fermi-Pasta-Ulam $\alpha$-model of harmonic oscillators with cubic anharmonic interactions is studied from a statistical mechanical point of view. Systems of N= 32 to 128 oscillators appear to be large enough to suggest statistical…
A cross between two well-known integrable multi-particle dynamics, an affine Toda molecule and a Sutherland system, is introduced for any affine root system. Though it is not completely integrable but partially integrable, or quasi exactly…
We investigate the form of equilibrium spatio-temporal correlation functions of conserved quantities, and of energy transport in the Toda lattice and in other integrable models. From numerical simulations we find that the correlations…
We consider a diatomic infinite Fermi-Pasta-Ulam (FPU) system with light and heavy particles. For a small mass ratio, we prove error estimates for the approximation of the dynamics of this system by the dynamics of the monoatomic FPU…
The semi-classical approach leading to the Thomas-Fermi (TF) model provides a simple universal thermodynamic description of the electronic cloud surrounding the nucleus in an atom. This model is known to be exact at the limit of…
We study the convergence of the empirical measure of moderately interacting particle systems subject to singular forces derived by Lennard-Jones potential. Although the classical Lennard-Jones force is widely used in molecular dynamics,…
The main purpose of this paper is to introduce a new class of Hamiltonian scattering systems of the cone potential type that can be integrated via the asymptotic velocity. For a large subclass, the asymptotic data of the trajectories define…
We assess the ergodic properties of the Fermi-Pasta-Ulam-Tsingou-$\alpha$ model for generic initial conditions using a Toda integral. It serves as an adiabatic invariant for the system and a suitable observable to measure its equilibrium…
This is a review of the authors' recent results on an integrable structure of the melting crystal model with external potentials. The partition function of this model is a sum over all plane partitions (3D Young diagrams). By the method of…
Our aim in the present work is to develop approximations for the collisional dynamics of traveling waves in the context of granular chains in the presence of precompression. To that effect, we aim to quantify approximations of the relevant…
Quantum corrections to Thomas-Fermi (TF) theory are investigated for noninteracting one-dimensional fermions with known uniform semiclassical approximations to the density and kinetic energy. Their structure is analyzed, and contributions…
In this paper we construct a higher order expansion of the manifold of quasi unidirectional waves in the Fermi-Pasta-Ulam (FPU) chain. We also approximate the dynamics on this manifold. As perturbation parameter we use $h^2=1/n^2$, where…
In a recent article, Wang et al (Phys. Chem. Chem. Phys., 22, 10624 (2020)) introduced a new class of interparticle potential for molecular simulations. The potential is defined by a single range parameter, eliminating the need to decide…
Peculiarities of interparticle interactions between methanol molecules in the methanol vapor are investigated. The bare potential is considered as a sum of repulsive, dispersive and electrostatic forces. It is supposed that H-bond is of…
We study various temporal correlation functions of a tagged particle in one-dimensional systems of interacting point particles evolving with Hamiltonian dynamics. Initial conditions of the particles are chosen from the canonical thermal…