Related papers: Comparison between classical potentials and ab ini…

We document a sequence of bifurcations and elastic patterns in sheared bent sheets of intermediate aspect ratio. The sheets undergo inversion of curvature through the passage of localized features, often in S-shaped pairs. Nested…

This paper is concerned with the numerical analysis of linear and nonlinear Schr{\"o}dinger equations with analytic potentials. While the regularity of the potential (and the source term when there is one) automatically conveys to the…

Formation of self-trapped holes (STH) in a comprehensive list of scintillator materials, including halides and chalcogenides, are studied using an accurate and computationally efficient first-principles method, the polaron self-interaction…

The design and development of a parallel plate shear cell for the study of large scale shear flows in granular materials is presented. The parallel plate geometry allows for shear studies without the effects of curvature found in the more…

A one-dimensional generalized nonlinear Schroedinger equation is considered, and the corresponding inverse scattering problem is analyzed when the potential is compactly supported and depends on the wave function. The unique recovery of the…

The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular dynamics. The surface relaxation led to surface…

In this paper we present two optimized eight-step symmetric implicit methods with phase-lag order ten and infinite (phase-fitted). The methods are constructed to solve numerically the radial time-independent Schr\"odinger equation with the…

In this note we investigate the asymptotic behavior of plane shear thickening fluids around a bounded obstacle. Different from the Navier-Stokes case considered by Gilbarg-Weinberger in \cite{GW1978}, where the good structure of the…

We design and investigate a variety of multigrid solvers for high-order local discontinuous Galerkin methods applied to elliptic interface and multiphase Stokes problems. Using the template of a standard multigrid V-cycle, we consider a…

Semiconductor-superconductor hybrids are commonly used in research on topological quantum computation. Traditionally, top-down approaches involving dry or wet etching are used to define the device geometry. These often aggressive processes…

As a wide bandgap semiconductor, diamond holds both excellent electrical and thermal properties, making it highly promising in the electrical industry. However, its hole mobility is relatively low and dramatically decreases with increasing…

We describe a simple method to determine, from ab initio calculations, the complete orientation-dependence of interfacial free energies in solid-state crystalline systems. We illustrate the method with an application to precipitates in the…

We present a surface stacking fault (SSF) energy approach to predicting defect nucleation from the surfaces of surface-dominated nanostructure such as FCC metal nanowires. The approach leads to a criteria that predicts the initial yield…

Advantage is taken of the arbitrariness in energy reference to consider anew integral transcriptions of Schrodinger's equation in the presence of potentials which at infinity acquire constant, nonvanishing values. It is found possible to…

We consider the cubic nonlinear Schr\"odinger equation with an exceptional potential. We obtain a sharp time decay for the global in time solution and we get the large time asymptotic profile of small solutions. We prove the existence of…

The recently introduced scheme [20,21] is extended to propose an algebraic non-perturbative approach for the analytical treatment of Schr\"odinger equations with non-solvable potentials involving an exactly solvable potential form together…

In this article we develop function-based a posteriori error estimators for the solution of linear second order elliptic problems considering hierarchical spline spaces for the Galerkin discretization. We prove a global upper bound for the…

This paper is concerned with the inverse problem to recover a compactly supported Schr{\"o}dinger potential given the differential scattering cross section, i.e. the modulus, but not the phase of the scattering amplitude. To compensate for…

We study the reflection of an acoustic plane wave from a steadily sliding planar interface with velocity strengthening friction or a shear band in a confined granular medium. The corresponding acoustic impedance is utterly different from…

We present a tight-binding calculation that, for the first time, accurately describes the structural, vibrational and elastic properties of amorphous silicon. We compute the interatomic force constants and find an unphysical feature of the…