Search results for " Density"

Real-space quantum transport in two-dimensional nanostructures in magnetic fields

2013

Flat-band superconductivity in strained Dirac materials

2016

We consider superconducting properties of a two-dimensional Dirac material such as graphene under strain that produces a flat band spectrum in the normal state. We show that in the superconducting state, such a model results in a highly increased critical temperature compared to the case without the strain, inhomogenous order parameter with two-peak shaped local density of states and yet a large and almost uniform and isotropic supercurrent. This model could be realized in strained graphene or ultracold atom systems and could be responsible for unusually strong superconductivity observed in some graphite interfaces and certain IV-VI semiconductor heterostructures.

Superfluid weight and Berezinskii-Kosterlitz-Thouless transition temperature of twisted bilayer graphene

2019

We study superconductivity of twisted bilayer graphene with local and non-local attractive interactions. We obtain the superfluid weight and Berezinskii-Kosterlitz-Thouless (BKT) transition temperature for microscopic tight-binding and low-energy continuum models. We predict qualitative differences between local and non-local interaction schemes which could be distinguished experimentally. In the flat band limit where the pair potential exceeds the band width we show that the superfluid weight and BKT temperature are determined by multiband processes and quantum geometry of the band.

Stationary and Nontationary Response Probability Density Function of a Beam under Poisson White Noise

2011

In this paper an approximate explicit probability density function for the analysis of external oscillations of a linear and geometric nonlinear simply supported beam driven by random pulses is proposed. The adopted impulsive loading model is the Poisson White Noise , that is a process having Dirac’s delta occurrences with random intensity distributed in time according to Poisson’s law. The response probability density function can be obtained solving the related Kolmogorov-Feller (KF) integro-differential equation. An approximated solution, using path integral method, is derived transforming the KF equation to a first order partial differential equation. The method of characteristic is the…

Non-linear systems under parametric alpha-stable LÉVY WHITE NOISES

2005

In this study stochastic analysis of nonlinear dynamical systems under a-stable, multiplicative white noise has been performed. Analysis has been conducted by means of the Ito rule extended to the case of α-stable noises. In this context the order of increments of Levy process has been evaluated and differential equations ruling the evolutions of statistical moments of either parametrically and external dynamical systems have been obtained. The extended Ito rule has also been used to yield the differential equation ruling the evolution of the characteristic function for parametrically excited dynamical systems. The Fourier transform of the characteristic function, namely the probability den…

Uncertainty analysis and symmetry restoration in nuclear self-consistent methods

2015

This thesis contains two articles, in the following denoted by I and II, and an introduction to them. In Chapter 1, I present the theoretical models of nuclear structure. In Chapter 2, I introduce the basic ideas about the density functional theory (DFT) and self-consistent mean-field (SCMF) calculations. In Chapter 3, I give the formulae for the uncertainty propagation, which is the error analysis method used in article I. As a proper tool to survey the predictive power of theoretical models, the error analysis now has become more and more widely used. By analyzing the propagation of uncertainties, one tries to find out the e ectiveness of the calculation with a given parameter set obtaine…

Visualization in the integrated SimPhoNy multiscale simulation framework

2018

Abstract We describe three distinct approaches to visualization for multiscale materials modelling research. These have been developed with the framework of the SimPhoNy FP7 EU-project, and complement each other in their requirements and possibilities. All have been integrated via wrappers to one or more of the simulation approaches within the SimPhoNy project. In this manuscript we describe and contrast their features. Together they cover visualization needs from electronic to macroscopic scales and are suited to simulations made on personal computers, workstations or advanced High Performance parallel computers. Examples as well as recommendations for future calculations are presented.

TDDFT Analysis of Optical Properties of Thiol Monolayer-Protected Gold and Intermetallic Silver–Gold Au144(SR)60 and Au84Ag60(SR)60 Clusters

2014

The optical absorption spectra of atomistic model structures for experimentally isolated all-gold Au144(SR)60 and intermetallic Au84Ag60(SR)60 clusters are systematically analyzed from linear-response time-dependent density functional theory (LR-TDDFT) and time-dependent density functional perturbation theory (TD-DFPT) calculations. The computed spectra, utilizing the atomistic model for Au144(SR)60 published by us in 2009, reproduce closely the experimental observations for corresponding isolated compounds, reported previously by Kumara and Dass in 2011. A collective dipole oscillation within the metal cores of the all-gold and intermetallic clusters is formed as response to light in the v…

Optical Properties of Monolayer-Protected Aluminum Clusters: Time-Dependent Density Functional Theory Study

2015

We examine the electronic and optical properties of experimentally known monolayer-protected aluminum clusters Al4(C5H5)4, Al50(C5Me5)12, and Al69(N(SiMe3)2)183– using time-dependent density functional theory. By comparing Al4(C5H5)4 and the theoretical Al4(N(SiMe3)2)4 cluster, we observe significant changes in the optical absorption spectra caused by different hybridization between metal core and ligands. Using these initial observations, we explain the calculated spectra of Al50(C5Me5)12 and Al69(N(SiMe3)2)183–. Al50(C5Me5)12 shows a structured spectrum with clear regions of low-intensity core-to-core transitions followed by high-intensity ligand-to-core transitions due to its high symmet…

Evaluation of alveolar cortical bone thickness and density for orthodontic mini-implant placement.

2013

Objective: Mini-implant stability is primarily related to bone quality and quantity. This study evaluated alveolar cortical bone thickness and density differences between interradicular sites at different levels from the alveolar crest, and assessed the differences between adolescents (12-18 years of age) and adults (19-50 years of age), males and females, upper and lower arch, anterior and posterior region of jaws and buccal and oral side. Study Design: In this retrospective study, 48 Computed Tomography scans, performed for oral surgery purposes were selected from dental records of 3,223 Caucasian orthodontic patients. The SimPlant software (Materialise, Leuven, Belgium) was used to measu…