Search results for "algorithm"
showing 10 items of 4887 documents
Space partitioning of exchange-correlation functionals with the projector augmented-wave method
2018
We implement a Becke fuzzy cells type space partitioning scheme for the purposes of exchange-correlation within the GPAW projector augmented-wave method based density functional theory code. Space partitioning is needed in the situation where one needs to treat different parts of a combined system with different exchange-correlation functionals. For example, bulk and surface regions of a system could be treated with functionals that are specifically designed to capture the distinct physics of those regions. Here, we use the space partitioning scheme to implement the quasi-nonuniform exchange-correlation scheme, which is a useful practical approach for calculating metallic alloys on the gene…
Ab initio Calculations of Bulk and (001) Surface F-centers in ABO3 Perovskites
2021
We analyzed systematic trends in BaTiO 3, SrTiO 3 , PbZrO 3 and SrZrO 3 bulk as well as very rarely performed (001) surface F-center ab initio calculations. The nearest neighbor atomic displacements around the bulk F-center in the ABO 3 perovskites are considerably smaller than the relevant neighbor atomic displacements around the (001) surface $F$ -centers. The $F$ -center electrons are more delocalized for the ABO 3 perovskite (001) surface $F$ -center than for the bulk $F$ -center. Our calculated formation energy differences between the BaTiO 3 , SrTiO 3 , PbZrO 3 and SrZrO 3 bulk and its (001) surface $F$ -centers triggers the $F$ -center segregation from the bulk crystal towards the AB…
Effective elastic properties of biocomposites using 3D computational homogenization and X-ray microcomputed tomography
2021
A 3D computational homogenization method based on X-ray microcomputed tomography (μCT) was proposed and implemented to investigate how the fiber weight fraction, orthotropy and orientation distribution affect the effective elastic properties of regenerated cellulose fiber-polylactic acid (PLA) biocomposites. Three-dimensional microstructures reconstructed by means of the X-ray μCT were used as the representative volume elements (RVEs) and incorporated into the finite element solver within the computational homogenization framework. The present method used Euclidean bipartite matching technique so as to eliminate the generation of artificial periodic boundaries and use the in-situ solution d…
Wavelet-like efficient analysis of two-dimensional arbitrarily shaped radomes using a surface formulation
2007
[1] Radomes are usually made of lossy dielectric materials, and their accurate analysis is often cumbersome because of their typical large electrical size and geometrical complexity. In real reflector antenna structures, there are always complex interactions between the radome, the reflector surfaces and the directional feeds, which are typically neglected for the sake of simplicity. In this paper we will consider all such interactions in a very accurate way, thus requiring a high number of unknowns for the numerical solution of the problem. To overcome such drawback, an integral equation formulation based on the Equivalence Principle in combination with the wavelet transform has been emplo…
MESH COMPARISON USING ATTRIBUTE DEVIATION METRIC
2004
We propose a mesh comparison method using a new attribute deviation metric. The considered meshes contain geometrical and appearance attributes (material color, texture, temperature, etc.). The proposed deviation metric computes local differences between the attributes of two meshes. A mesh comparison assessment can be done easily and quickly using this metric. The techniques proposed are applicable in a number of ways, e.g. 3D matching and registration, and the example described in the paper is the simplification of a surface by iteratively reducing its complexity according to an error metric. The results are presented showing the success of the algorithm through comparisons with other me…
Currents reconstruction by means of a new 2D extrapolation matrix
2007
The equivalent currents reconstructed on the surface of an antenna from its far field measurements have a limited resolution. This is because just the visible part of the spectrum, i.e. the inner part of the circle of radius k (the wavenumber), can be obtained with this technique. The zero padding technique is used for improving the precision; however this technique does not improve the resolution and additional methods must be applied. One of the most used is the Gerchberg-Papoulis algorithm. This technique obtains the non visible spectrum from just the visible region and the maximum size of the antenna. The main disadvantage of this algorithm is that, since it is iterative, it takes a lon…
Land surface emissivity retrieval from different VNIR and TIR sensors
2008
This paper discusses the application and adaptation of two existing operational algorithms for land surface emissivity (epsiv) retrieval from different operational satellite/airborne sensors with bands in the visible and near-infrared (VNIR) and thermal IR (TIR) regions: (1) the temperature and emissivity separation algorithm, which retrieves epsiv only from TIR data and (2) the normalized-difference vegetation index thresholds method, in which epsiv is retrieved from VNIR data.
Continuous Phase Transitions at Surfaces of CuAu Alloy Models — A Monte Carlo Study of Surface Induced Order and Disorder
1996
The influence of surface on phase transitions has found significant attention in recent years, and a number of excellent reviews exists. [1, 2, 3] A variety of complex phenomena occur which are also related to the physics of adsorption and wetting. The scenario of wetting requires three distinct phases, for instance the vacuum, the bulk phase and a third phase intervening in between at equilibrium. In case of surface induced disorder (SID, a film of disordered layers at the surface “wets” the bulk phase as the temperature approaches the bulk transition temperature T c,b. The transition at the surface may be continuous (standard critical wetting phenomena), and, as theoretically investigated…
Biologically Inspired Model for Inference of 3D Shape from Texture.
2015
A biologically inspired model architecture for inferring 3D shape from texture is proposed. The model is hierarchically organized into modules roughly corresponding to visual cortical areas in the ventral stream. Initial orientation selective filtering decomposes the input into low-level orientation and spatial frequency representations. Grouping of spatially anisotropic orientation responses builds sketch-like representations of surface shape. Gradients in orientation fields and subsequent integration infers local surface geometry and globally consistent 3D depth. From the distributions in orientation responses summed in frequency, an estimate of the tilt and slant of the local surface can…
Theoretical split-window algorithms for determining the actual surface temperature
1993
Two split-window strategies for obtaining the actual surface temperature (AST) from an infra-red sensor system are investigated by means of simulations of radiometer signals for a wide range of different geophysical situations. The differences between strategies are closely related to the strong or weak presence of atmospheric effects in the split-window coefficient. It has been demonstrated that the strong presence makes it necessary to know the total atmospheric water vapour as well as the effective emissivities in the two thermal channels for applying the strong split-window method, whereas for the weak presence one only needs to know the emissivities. Simplified algorithms have been obt…