Correctors for some asymptotic problems

In the theory of anisotropic singular perturbation boundary value problems, the solution u ɛ does not converge, in the H 1-norm on the whole domain, towards some u 0. In this paper we construct correctors to have good approximations of u ɛ in the H 1-norm on the whole domain. Since the anisotropic singular perturbation problems can be connected to the study of the asymptotic behaviour of problems defined in cylindrical domains becoming unbounded in some directions, we transpose our results for such problems

Correction to: Some results on the p(u)-Laplacian problem

Correction to: Mathematische Annalen https://doi.org/10.1007/s00208-019-01803-w In the Original Publication of the article, few errors have been identified in section 5 and acknowledgements section.Agência financiadora Ministry of Education and Science, Russian Federation 117198 Portuguese Foundation for Science and Technology (FCT), Portugal SFRH/BSAB/135242/2017info:eu-repo/semantics/publishedVersio

Some Remarks on Nonuniqueness of Minimizers for Discrete Minimization Problems

We investigate the issue of uniqueness and nonuniqueness of minimizers for the approximation of variational problems. We show that when the continuous problem does not admit a minimizer its approximation by finite elements may lead to several discrete minimizer

On the numerical analysis of some variational problems with nonhomogeneous boundary conditions

The goal of this note is to expose a new techniques to get energy estimates for nonconvex problems with nonlinear boundary conditions in term of the mesh size of a Lagrange finite elements metho

Some issues on the p -Laplace equation in cylindrical domains

We investigate the asymptotic behavior of the solution to equations of the p-Laplacian type in cylindrical domains becoming unbounded and address some issues regarding the solution in unbounded domain

Singular perturbations of some nonlinear problems

We deal with singular perturbations of nonlinear problems depending on a small parameter ε > 0. First we consider the abstract theory of singular perturbations of variational inequalities involving some nonlinear operators, defined in Banach spaces, and describe the asymptotic behavior of these solutions as ε → 0. Then these abstract results are applied to some boundary value problems. Bibliography: 15 title

On an elliptic Kirchhoff-type problem depending on two parameters

In this paper, we consider the Dirichlet problem associated to an elliptic Kirchhoff-type equation depending on two parameters. Under rather general and natural assumptions, we prove that, for certain values of the parameters, the problem has at least three solutions

Efficient construction of free energy profiles of breathing metal–organic frameworks using advanced molecular dynamics simulations

In order to reliably predict and understand the breathing behavior of highly flexible metal–organic frameworks from thermodynamic considerations, an accurate estimation of the free energy difference between their different metastable states is a prerequisite. Herein, a variety of free energy estimation methods are thoroughly tested for their ability to construct the free energy profile as a function of the unit cell volume of MIL-53(Al). The methods comprise free energy perturbation, thermodynamic integration, umbrella sampling, metadynamics, and variationally enhanced sampling. A series of molecular dynamics simulations have been performed in the frame of each of the five methods to describe structural transformations in flexible materials with the volume as the collective variable, which offers a unique opportunity to assess their computational efficiency. Subsequently, the most efficient method, umbrella sampling, is used to construct an accurate free energy profile at different temperatures for MIL-53(Al) from first principles at the PBE+D3(BJ) level of theory. This study yields insight into the importance of the different aspects such as entropy contributions and anharmonic contributions on the resulting free energy profile. As such, this thorough study provides unparalleled insight in the thermodynamics of the large structural deformations of flexible materials