Related papers: A Finite-Size Supercell Correction Scheme for Char…
In this paper we present NANOTCAD2D, a code for the simulation of the electrical properties of semiconductor-based nanoelectronic devices and structures in two-dimensional domains. Such code is based on the solution of the…
We study (analytic) finite-size corrections in the dense polymer model on the strip by perturbing the critical Hamiltonian with irrelevant operators belonging to the tower of the identity. We generalize the perturbation expansion to include…
We use the energy method to study the well-posedness of initial-boundary value problems approximated by overset mesh methods in one and two space dimensions for linear constant-coefficient hyperbolic systems. We show that in one space…
We present a new finite volume scheme for anisotropic heterogeneous diffusion problems on unstructured irregular grids, which simultaneously gives an approximation of the solution and of its gradient. In the case of simplicial meshes, the…
We study symmetry-breaking line defects in the Wilson-Fisher theory with $O(2N+1)$ global symmetry near four dimensions and symmetry-preserving surface defects in a cubic model with $O(2N)$ global symmetry near six dimensions. We introduce…
We investigate several models described by real scalar fields, searching for topological defects. Some models are described by a single field, and support one or two topological sectors, and others are two-field models, which support…
We consider a 1D periodic atomistic model, for which we formulate and analyze an adaptive variant of a quasicontinuum method. We establish a posteriori error estimates for the energy norm and for the energy, based on a posteriori residual…
Complex fission phenomena are studied in a unified way. Very general reflection asymmetrical equilibrium (saddle point) nuclear shapes are obtained by solving an integro-differential equation without being necessary to specify a certain…
The defect relaxation volumes obtained from density-functional theory (DFT) calculations of charged vacancies and interstitials are much larger than their neutral counterparts, seemingly unphysically large. In this work, we investigate the…
The analytical method to determine geometry and size of nano-scale defects in oil and gas species and materials is proposed. The modeling is carried out with the parameters of the positron spectra in the angular distribution method of…
Three-dimensional charge density maps computed by first-principles methods provide information about atom positions and the bonds between them, data which is particularly valuable when trying to understand the properties of point defects,…
We present an improved method to calculate defect formation energies that overcomes the band-gap problem of Kohn-Sham density-functional theory (DFT) and reduces the self-interaction error of the local-density approximation (LDA) to DFT. We…
We study the finite-size scaling of the free energy of the Ising model on lattices with the topology of the tetrahedron and the octahedron. Our construction allows to perform changes in the length scale of the model without altering the…
The presence of corners in the computational domain, in general, reduces the regularity of solutions of parabolic problems and diminishes the convergence properties of the finite element approximation introducing a so-called "pollution…
This paper concerns the construction and analysis of a numerical scheme for a mixed discrete-continuous fragmentation equation. A finite volume scheme is developed, based on a conservative formulation of a truncated version of the…
We have studied intrinsic defect complexes in In$_2$O$_3$ using ab initio random structure searching (AIRSS). Our first-principles density-functional-theory calculations predict the thermodynamic stability of several novel defect…
A new anisotropic mesh adaptation strategy for finite element solution of elliptic differential equations is presented. It generates anisotropic adaptive meshes as quasi-uniform ones in some metric space, with the metric tensor being…
In this paper we derive the type-II integrable defect for the N = 2 supersymmetric sinh-Gordon (sshG) model by using the fusing procedure. In particular, we show explicitly the conservation of the modified energy, momentum and supercharges.
We study finite size effects for the gap of the quasiparticle excitation spectrum in the weakly interacting regime one-dimensional Hubbard model with on-site attraction. Two type of corrections to the result of the thermodynamic limit are…
A collisionless plasma is modeled by the Vlasov-Poisson system in one-dimension. A fixed background of positive charge, dependent only upon velocity, is assumed and the situation in which the mobile negative ions balance the positive charge…