Related papers: Gamma-expansion for a 1D Confined Lennard-Jones mo…
The aim of this work is to provide further insight into the qualitative behavior of mechanical systems that are well described by Lennard-Jones type interactions on an atomistic scale. By means of $\Gamma$-convergence techniques, we study…
We investigate a quasicontinuum method by means of analytical tools. More precisely, we compare a discrete-to-continuum analysis of an atomistic one-dimensional model problem with a corresponding quasicontinuum model. We consider next and…
In this paper we analyze a two-dimensional discrete model of nearest-neighbour Lennard-Jones interactions under the microscopical constraint that points on a lattice triangle maintain their order. This can be understood as a microscopical…
Starting from a particle system with short-range interactions, we derive a continuum model for the bending, torsion, and brittle fracture of inextensible rods moving in three-dimensional space. As the number of particles tends to infinity,…
Molecular dynamic simulations for systems with $D=2,3$ Lennard-Jones-like interactions are studied. In the model, we assume that, at long distances, the two-body attractive potential decays as $r^{-\alpha}$. Thermodynamic extensivity…
In this paper we present two atomistic models for the energy of a one-dimensional elastic crystal. We assume that the macroscopic displacement equals the microscopic one. The energy of the first model is given by a two-body interaction…
This is the second in a series of papers in which we derive a $\Gamma$-expansion for the two-dimensional non-local Ginzburg-Landau energy with Coulomb repulsion known as the Ohta-Kawasaki model in connection with diblock copolymer systems.…
This paper is concerned with equilibrium configurations of one-dimensional particle system with non-convex nearest-neighbour and next-to-nearest-neighbour interactions and its passage to the continuum. The goal is to derive compactness…
The method of perturbative expansion of master equation is employed to study the dissipative properties of system and of atom in the two-photon Jaynes-Cummings model (JCM) with degenerate atomic levels. The numerical results show that the…
$3d-2d$ dimensional reduction for hyperelastic thin films modeled through energies with point dependent growth, assuming that the sample is clamped on the lateral boundary, is performed in the framework of $\Gamma$-convergence. Integral…
We show that in two dimensions (2D) a systematic expansion of the self-energy and the effective interaction of the dilute electron gas in powers of the two-body T-matrix T_0 can be generated from the exact hierarchy of functional…
We identify the $\Gamma$-limit of a nanoparticle-polymer model as the number of particles goes to infinity and as the size of the particles and the phase transition thickness of the polymer phases approach zero. The limiting energy consists…
We perform a rigorous mathematical analysis of the bending modes of a linear triatomic molecule that exhibits the Renner-Teller effect. Assuming the potentials are smooth, we prove that the wave functions and energy levels have asymptotic…
Starting from three-dimensional nonlinear elasticity under the restriction of incompressibility, we derive reduced models to capture the behavior of strings in response to external forces. Our $\Gamma$-convergence analysis of the…
A $\Gamma$-convergence analysis is used to perform a 3D-2D dimension reduction of variational problems with linear growth. The adopted scaling gives rise to a nonlinear membrane model which, because of the presence of higher order external…
We derive sharp-interface models for one-dimensional brittle fracture via the inverse-deformation approach. Methods of Gamma-convergence are employed to obtain the singular limits of previously proposed models. The latter feature a local,…
In the first part of this paper, we apply a well known discrete-to-continuum approach to a Frenkel-Kontorova-type model of an infinitely long one-dimensional chain of atoms weakly interacting with a line of fixed atoms. The rescaled model…
This paper investigates the relation between the density-scaling exponent $\gamma$ and the virial potential-energy correlation coefficient $R$ at several thermodynamic state points in three dimensions for the generalized $(2n,n)$…
The degenerate de Gennes-Cahn-Hilliard (dGCH) equation is a model for phase separation which may more closely approximate surface diffusion than others in the limit when the thickness of the transition layer approaches zero. As a first step…
Disconnectivity graphs are used to characterize the potential energy surfaces of Lennard-Jones clusters containing 13, 19, 31, 38, 55 and 75 atoms. This set includes members which exhibit either one or two `funnels' whose low-energy regions…