Search results for " numerical methods"

Electrical conductance of carbon nanotubes with misaligned ends

2013

During a manufacturing process, when a straight carbon nanotube is placed on a substrate, e.g., production of transistors, its two ends are often misaligned. In this study, we investigate the effects of multiwall carbon nanotubes’ (MWCNTs) outer diameter and chirality on the change in conductance due to misalignment of the two ends. The length of the studied MWCNTs was 120 nm, while the diameters ranged between 4 and 7 nm. A mixed finite element-tight-binding approach was carefully designed to realize reduction in computational time by orders of magnitude in calculating the deformation-induced changes in the electrical transport properties of the nanotubes. Numerical results suggest that ar…

Bio-electromagnetic Numerical Modeling for Health Diagnostics

Global sensitivity analysis in wastewater treatment modelling

2019

Global sensitivity analysis (GSA) is a valuable tool to support the use of mathematical models. GSA allows the identifcation of the effect of model and input factor uncertainty on the model response, also considering the effect due to the interactions among factors. During recent years, the wastewater modelling feld has embraced the use of GSA. Wastewater modellers have tried to transfer the knowledge and experience from other disciplines and other water modelling felds.

Size-intensive decomposition of orbital energy denominators

2000

We introduce an alternative to Almlöf and Häser’s Laplace transform decomposition of orbital energy denominators used in obtaining reduced scaling algorithms in perturbation theory based methods. The new decomposition is based on the Cholesky decomposition of positive semidefinite matrices. We show that orbital denominators have a particular short and size-intensive Cholesky decomposition. The main advantage in using the Cholesky decomposition, besides the shorter expansion, is the systematic improvement of the results without the penalties encountered in the Laplace transform decomposition when changing the number of integration points in order to control the convergence. Applications will…

Electronic Transport in carbon nanotubes under traction, bending, torsion and misalignment of the two ends

2013

Monotonic solution of flow and transport problems in heterogeneous media using Delaunay unstructured triangular meshes

2013

Transport problems occurring in porous media and including convection, diffusion and chemical reactions, can be well represented by systems of Partial Differential Equations. In this paper, a numerical procedure is proposed for the fast and robust solution of flow and transport problems in 2D heterogeneous saturated media. The governing equations are spatially discretized with unstructured triangular meshes that must satisfy the Delaunay condition. The solution of the flow problem is split from the solution of the transport problem and it is obtained with an approach similar to the Mixed Hybrid Finite Elements method, that always guarantees the M-property of the resulting linear system. The…

Numerical methods in the design process of a sailing yacht

2014

Global sensitivity analysis in environmental water quality modelling: Where do we stand?

2014

Global sensitivity analysis (GSA) is a valuable tool to support the use of mathematical models for environmental systems. During the last years the water quality modelling field has embraced the use of GSA. Environmental water quality modellers have tried to transfer the knowledge and experience acquired in other disciplines. The main objective of this paper is to provide an informed problem statement of the issues surrounding GSA applications in the environmental water quality modelling field. Specifically, this paper aims at identifying, for each GSA method, the potential use, the critical issues to be solved and the limits identified in a comprehensive literature review. The paper shows …

New Indicators of Approximation Errors for Problems in Continuum Mechanics

2010

In this paper we present a new error indicator for approximate solutions of elliptic problems. We discuss error indication with the paradigm of the diffusion problem, however the techniques are easily adaptable to more complicated elliptic problems, for example to linear elasticity, viscous flow models and electromagnetic models. The proposed indicator does not contain mesh dependent constants and it admits parallelization. nonPeerReviewed

Anisotropic potential of velocity fields in real fluids: Application to the MAST solution of shallow water equations

2013

In the present paper it is first shown that, due to their structure, the general governing equations of uncompressible real fluids can be regarded as an "anisotropic" potential flow problem and closed streamlines cannot occur at any time. For a discretized velocity field, a fast iterative procedure is proposed to order the computational elements at the beginning of each time level, allowing a sequential solution element by element of the advection problem. Some closed circuits could appear due to the discretization error and the elements involved in these circuits could not be ordered. We prove in the paper that the total flux of these not ordered elements goes to zero by refining the compu…