A convergent string method: Existence and approximation for the Hamiltonian boundary-value problem

This article studies the existence of long-time solutions to the Hamiltonian boundary value problem, and their consistent numerical approximation. Such a boundary value problem is, for example, common in Molecular Dynamics, where one aims at finding a dynamic trajectory that joins a given initial state with a final one, with the evolution being governed by classical (Hamiltonian) dynamics. The setting considered here is sufficiently general so that long time transition trajectories connecting two configurations can be included, provided the total energy $E$ is chosen suitably. In particular, the formulation presented here can be used to detect transition paths between two stable basins and thus to prove the existence of long-time trajectories. The starting point is the formulation of the equation of motion of classical mechanics in the framework of Jacobi's principle; a curve shortening procedure inspired by Birkhoff's method is then developed to find geodesic solutions. This approach can be viewed as a string method

Deconvolutional Methods in the Reconstruction of Local Material Parameters

Zadanie pt. Digitalizacja i udostępnienie w Cyfrowym Repozytorium Uniwersytetu Łódzkiego kolekcji czasopism naukowych wydawanych przez Uniwersytet Łódzki nr 885/P-DUN/2014 zostało dofinansowane ze środków MNiSW w ramach działalności upowszechniającej naukę

On the Γ\Gamma-limit for a non-uniformly bounded sequence of two phase metric functionals

In this study we consider the $\Gamma$-limit of a highly oscillatory Riemannian metric length functional as its period tends to 0. The metric coefficient takes values in either $\{1,\infty\}$ or $\{1,\beta \varepsilon^{-p}\}$ where $\beta,\varepsilon > 0$ and $p \in (0,\infty)$. We find that for a large class of metrics, in particular those metrics whose surface of discontinuity forms a differentiable manifold, the $\Gamma$-limit exists, as in the uniformly bounded case. However, when one attempts to determine the $\Gamma$-limit for the corresponding boundary value problem, the existence of the $\Gamma$-limit depends on the value of $p$. Specifically, we show that the power $p=1$ is critical in that the $\Gamma$-limit exists for $p < 1$, whereas it ceases to exist for $p \geq 1$. The results here have applications in both nonlinear optics and the effective description of a Hamiltonian particle in a discontinuous potential.Comment: 31 pages, 1 figure. Submitte

On selection criteria for problems with moving inhomogeneities

We study mechanical problems with multiple solutions and introduce a thermodynamic framework to formulate two different selection criteria in terms of macroscopic energy productions and fluxes. Studying simple examples for lattice motion we then compare the implications for both resting and moving inhomogeneities.Comment: revised version contains new introduction, numerical simulations of Riemann problems, and a more detailed discussion of the causality principle; 18 pages, several figure

Subsonic phase transition waves in bistable lattice models with small spinodal region

Phase transitions waves in atomic chains with double-well potential play a fundamental role in materials science, but very little is known about their mathematical properties. In particular, the only available results about waves with large amplitudes concern chains with piecewise-quadratic pair potential. In this paper we consider perturbations of a bi-quadratic potential and prove that the corresponding three-parameter family of waves persists as long as the perturbation is small and localised with respect to the strain variable. As a standard Lyapunov-Schmidt reduction cannot be used due to the presence of an essential spectrum, we characterise the perturbation of the wave as a fixed point of a nonlinear and nonlocal operator and show that this operator is contractive in a small ball in a suitable function space. Moreover, we derive a uniqueness result for phase transition waves with certain properties and discuss the kinetic relation.Comment: revised version with extended introduction, improved perturbation method, and novel uniqueness result; 20 pages, 5 figure

Action minimizing fronts in general FPU-type chains

We study atomic chains with nonlinear nearest neighbour interactions and prove the existence of fronts (heteroclinic travelling waves with constant asymptotic states). Generalizing recent results of Herrmann and Rademacher we allow for non-convex interaction potentials and find fronts with non-monotone profile. These fronts minimize an action integral and can only exists if the asymptotic states fulfil the macroscopic constraints and if the interaction potential satisfies a geometric graph condition. Finally, we illustrate our findings by numerical simulations.Comment: 19 pages, several figure