Search results for "boundary"
showing 10 items of 1626 documents
Computational Homogenization of Heterogeneous Materials by a Novel Hybrid Numerical Scheme
2020
The Virtual Element Method (VEM) is a recent numerical technique capable of dealing with very general polygonal and polyhedral mesh elements, including irregular or non-convex ones. Because of this feature, the VEM ensures noticeable simplification in the data preparation stage of the analysis, especially for problems whose analysis domain features complex geometries, as in the case of computational micro-mechanics problems. The Boundary Element Method (BEM) is a well known, extensively used and effective numerical technique for the solution of several classes of problems in science and engineering. Due to its underlying formulation, the BEM allows reducing the dimensionality of the proble…
New systems for extracting 3-D shape information from images
1993
Neural architectures may offer an adequate way to deal with early vision since they are able to learn shape features or classify unknown shapes, generalising the features of a few meaningful examples, with a low computational cost after the training phase. Two different neural approaches are proposed by the authors: the first one consists of a cascaded architecture made up by a first stage named BWE (Boundary Webs Extractor) which is aimed to extract a brightness gradient map from the image, followed by a backpropagation network that estimates the geometric parameters of the object parts present in the perceived scene. The second approach is based on the extraction of the boundary webs map …
Numerical simulation of fibre growth in antitaxial strain fringes
2000
A two-dimensional computer model (‘Fringe Growth’) is used to simulate the incremental growth of crystal fibres in undeformed antitaxial strain fringes. The user can define the shape of a core-object (e.g. a pyrite crystal), the growth velocity and anisotropy of growing crystals, the rotation of fringes and core-object with respect to a horizontal datum and with respect to each other, and the opening velocity of fringes. Growth is simulated by movement of nodes connecting line segments that define the grain boundaries. Modelling results predict that face-controlled strain fringes will grow around smooth core-objects and strain fringes with displacement-controlled and face-controlled fibres …
Interactive Pansharpening and Active Classification in Remote Sensing
2013
This chapter presents two multimodal prototypes for remote sensing image classification where user interaction is an important part of the system. The first one applies pansharpening techniques to fuse a panchromatic image and a multispectral image of the same scene to obtain a high resolution (HR) multispectral image. Once the HR image has been classified the user can interact with the system to select a class of interest. The pansharpening parameters are then modified to increase the system accuracy for the selected class without deteriorating the performance of the classifier on the other classes. The second prototype utilizes Bayesian modeling and inference to implement active learning …
Quantum Monte Carlo study of high pressure solid molecular hydrogen
2013
We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground state phase diagram of solid molecular hydrogen and examine the stability of the most important insulating phases relative to metallic crystalline molecular hydrogen. We develop a new method to account for finite-size errors by combining the use of twist-averaged boundary conditions with corrections obtained using the Kwee-Zhang-Krakauer (KZK) functional in density functional theory. To study band-gap closure and find the metallization pressure, we perform accurate quasi-particle many-body calculations using the $GW$ method. In the static approximation, our DMC simulations indicate a transition from the insulating…
Ab initio modelling of UN grain boundary interfaces
2012
The uranium mononitride (UN) is a material considered as a promising candidate for Generation-IV nuclear reactor fuels. Unfortunately, oxygen in air affects UN fuel performance and stability. Therefore, it is necessary to understand the mechanism of oxygen adsorption and further UN oxidation in the bulk and at surface. Recently, we performed a detailed study on oxygen interaction with UN surface using density functional theory (DFT) calculations. We were able to identify an atomistic mechanism of UN surface oxidation consisting of several important steps, starting with the oxygen molecule dissociation and finishing with oxygen atom incorporation into vacancies on the surface. However, in re…
Graphene nanoribbons subject to gentle bends
2012
Since graphene nanoribbons are thin and flimsy, they need support. Support gives firm ground for applications, and adhesion holds ribbons flat, although not necessarily straight: ribbons with high aspect ratio are prone to bend. The effects of bending on ribbons' electronic properties, however, are unknown. Therefore, this article examines the electromechanics of planar and gently bent graphene nanoribbons. Simulations with density-functional tight-binding and revised periodic boundary conditions show that gentle bends in armchair ribbons can cause significant widening or narrowing of energy gaps. Moreover, in zigzag ribbons sizeable energy gaps can be opened due to axial symmetry breaking,…
Structural, chemical and dynamical trends in graphene grain boundaries
2010
Grain boundaries are topological defects that often have a disordered character. Disorder implies that understanding general trends is more important than accurate investigations of individual grain boundaries. Here we present trends in the grain boundaries of graphene. We use density-functional tight-binding method to calculate trends in energy, atomic structure (polygon composition), chemical reactivity (dangling bond density), corrugation heights (inflection angles), and dynamical properties (vibrations), as a function of lattice orientation mismatch. The observed trends and their mutual interrelations are plausibly explained by structure, and supported by past experiments.
Orthorhombic Phase of Crystalline Polyethylene: A Monte Carlo Study
1996
In this paper we present a classical Monte Carlo simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained bond lengths and angles and periodic boundary conditions. We used a recently developed algorithm which apart from standard Metropolis local moves employs also global moves consisting of displacements of the center of mass of the whole chains in all three spatial directions as well as rotations of the chains around an axis parallel to the crystallographic c-direction. Our simulations are performed in the NpT ensemble, at zero pressure, and extend over the whole range of temperatures in which the orthorhombic phase is experime…
Molecular-dynamics study of copper with defects under strain
1998
Mechanical properties of copper with various types of defects have been studied with the molecular-dynamics method and the effective-medium theory potential both at room temperature and near zero temperature. The loading has been introduced as constant rate straining and the dynamics of the process region of fracture is purely Newtonian. With the model three types of defects were studied: point defects, grain boundary, and an initial void serving as a crack seed. Point defects were seen to decrease the system strength in terms of fracture stress, fracture strain, and elastic modulus. Due to random microstructure, highly disordered systems turned out to be isotropic, which on the other hand …