Computational Fluid Dynamics in Combustion

Computational fluid dynamics has reached a stage where flow field in practical situation can be predicted to aid the design and to probe into the fundamental flow physics to understand and resolve the issues in fundamental fluid mechanics The study examines the computation of reacting flows After exploring the conservation equations for species and energy, the methods of closing the reaction rate terms in turbulent flow have been examined briefly Two cases of computation where combustion-flow interaction plays important role, have been discussed to illustrate the computational aspects and the physical insight that can be gained by the reacting flow computation

Molecular methods for the epidemiological analysis of methicillin-resistant Staphylococcus aureus (MRSA) and Streptococcus pneumoniae

Methicillin-resistant Staphylococcus aureus (MRSA) and Streptococcus pneumoniae are major health problems worldwide, both found in symptomless carriage but also causing even life-threatening infections. The aim of this thesis was to characterise MRSA and S. pneumoniae in detail by using several molecular typing methods for various epidemiological purposes: clonality analysis, epidemiological surveillance, outbreak investigation, and virulence factor analysis. The characteristics of MRSA isolates from the strain collection of the Finnish National Infectious Disease Register (NIDR) and pneumococcal isolates collected from military recruits and children with acute otitis media (AOM) were analysed using various typing techniques. Antimicrobial susceptibility testing, pulsed-field gel electrophoresis (PFGE), multilocus sequence typing (MLST), spa typing, staphylococcal cassette chromosome mec (SCCmec) typing, and the detection of Panton-Valentine leukocidin (PVL) genes were performed for MRSA isolates. Pneumococcal isolates were analysed using antimicrobial susceptibility testing, serotyping, MLST, and by detecting pilus islet 1 (PI-1) and 2 (PI-2) genes. Several international community- and hospital-associated MRSA clones were recognised in Finland. The genetic diversity among MRSA FIN-4 isolates and among FIN-16 isolates was low. Overall, MRSA blood isolates from 1997 to 2006 were genetically diverse. spa typing was found to be a highly discriminatory, rapid and accurate typing method and it also qualifies as the primary typing method in countries with a long history of PFGE-based MRSA strain nomenclature. However, additional typing by another method, e.g. PFGE, is needed in certain situations to be able to provide adequate discrimination for epidemiological surveillance and outbreak investigation. An outbreak of pneumonia was associated with one pneumococcal strain among military recruits, previously healthy young men living in a crowded setting. The pneumococcal carriage rate after the outbreak was found to be exceptionally high. PI-1 genes were detected at a rather low prevalence among pneumococcal isolates from children with AOM. However, the study demonstrated that PI-1 has existed among pneumococcal isolates prior to pneumococcal conjugate vaccine and the increased antimicrobial resistance era. Moreover, PI-1 was found to associate with the serotype rather than the genotype. This study adds to our understanding of the molecular epidemiology of MRSA strains in Finland and the importance of an appropriate genotyping method to be able to perform high-level laboratory-based surveillance of MRSA. Epidemiological and molecular analyses of S. pneumoniae add to our knowledge of the characteristics of pneumococcal strains in Finland.

NDDO-based CI methods for the prediction of electronic spectra and sum-over-states molecular hyperpolarization

NDDO-based (AM1) configuration interaction (CI) calculations have been used to calculate the wavelength and oscillator strengths of electronic absorptions in organic molecules and the results used in a sum-over-states treatment to calculate second-order-hyperpolarizabilities. The results for both spectra and hyperpolarizabilities are of acceptable quality as long as a suitable CI-expansion is used. We have found that using an active space of eight electrons in eight orbitals and including all single and pair-double excitations in the CI leads to results that agree well with experiment and that do not change significantly with increasing active space for most organic molecules. Calculated second-order hyperpolarizabilities using this type of CI within a sum-over-states calculation appear to be of useful accuracy.

Common Infrastructure for Finite-State Based Methods and Linguistics Descriptions

Finite-state methods have been adopted widely in computational morphology and related linguistic applications. To enable efficient development of finite-state based linguistic descriptions, these methods should be a freely available resource for academic language research and the language technology industry. The following needs can be identified: (i) a registry that maps the existing approaches, implementations and descriptions, (ii) managing the incompatibilities of the existing tools, (iii) increasing synergy and complementary functionality of the tools, (iv) persistent availability of the tools used to manipulate the archived descriptions, (v) an archive for free finite-state based tools and linguistic descriptions. Addressing these challenges contributes to building a common research infrastructure for advanced language technology.

A study of the synthetic methods and properties of graphenes

Graphenes with varying number of layers can be synthesized by using different strategies. Thus, single-layer graphene is prepared by micromechanical cleavage, reduction of single-layer graphene oxide, chemical vapor deposition and other methods. Few-layer graphenes are synthesized by conversion of nanodiamond, arc discharge of graphite and other methods. In this article, we briefly overview the various synthetic methods and the surface, magnetic and electrical properties of the produced graphenes. Few-layer graphenes exhibit ferromagnetic features along with antiferromagnetic properties, independent of the method of preparation. Aside from the data on electrical conductivity of graphenes and graphene-polymer composites, we also present the field-effect transistor characteristics of graphenes. Only single-layer reduced graphene oxide exhibits ambipolar properties. The interaction of electron donor and acceptor molecules with few-layer graphene samples is examined in detail.

Accelerated gradient based diffuse optical tomographic image reconstruction

Purpose: Fast reconstruction of interior optical parameter distribution using a new approach called Broyden-based model iterative image reconstruction (BMOBIIR) and adjoint Broyden-based MOBIIR (ABMOBIIR) of a tissue and a tissue mimicking phantom from boundary measurement data in diffuse optical tomography (DOT). Methods: DOT is a nonlinear and ill-posed inverse problem. Newton-based MOBIIR algorithm, which is generally used, requires repeated evaluation of the Jacobian which consumes bulk of the computation time for reconstruction. In this study, we propose a Broyden approach-based accelerated scheme for Jacobian computation and it is combined with conjugate gradient scheme (CGS) for fast reconstruction. The method makes explicit use of secant and adjoint information that can be obtained from forward solution of the diffusion equation. This approach reduces the computational time many fold by approximating the system Jacobian successively through low-rank updates. Results: Simulation studies have been carried out with single as well as multiple inhomogeneities. Algorithms are validated using an experimental study carried out on a pork tissue with fat acting as an inhomogeneity. The results obtained through the proposed BMOBIIR and ABMOBIIR approaches are compared with those of Newton-based MOBIIR algorithm. The mean squared error and execution time are used as metrics for comparing the results of reconstruction. Conclusions: We have shown through experimental and simulation studies that Broyden-based MOBIIR and adjoint Broyden-based methods are capable of reconstructing single as well as multiple inhomogeneities in tissue and a tissue-mimicking phantom. Broyden MOBIIR and adjoint Broyden MOBIIR methods are computationally simple and they result in much faster implementations because they avoid direct evaluation of Jacobian. The image reconstructions have been carried out with different initial values using Newton, Broyden, and adjoint Broyden approaches. These algorithms work well when the initial guess is close to the true solution. However, when initial guess is far away from true solution, Newton-based MOBIIR gives better reconstructed images. The proposed methods are found to be stable with noisy measurement data. (C) 2011 American Association of Physicists in Medicine. DOI: 10.1118/1.3531572]

Decoupled three-dimensional finite element computation of thermoelastic damping using Zener's approximation

We consider three dimensional finite element computations of thermoelastic damping ratios of arbitrary bodies using Zener's approach. In our small-damping formulation, unlike existing fully coupled formulations, the calculation is split into three smaller parts. Of these, the first sub-calculation involves routine undamped modal analysis using ANSYS. The second sub-calculation takes the mode shape, and solves on the same mesh a periodic heat conduction problem. Finally, the damping coefficient is a volume integral, evaluated elementwise. In the only other decoupled three dimensional computation of thermoelastic damping reported in the literature, the heat conduction problem is solved much less efficiently, using a modal expansion. We provide numerical examples using some beam-like geometries, for which Zener's and similar formulas are valid. Among these we examine tapered beams, including the limiting case of a sharp tip. The latter's higher-mode damping ratios dramatically exceed those of a comparable uniform beam.

On Computation of Minimum Distance of Linear Block Codes Above 1/2 Rate Coding

The minimum distance of linear block codes is one of the important parameter that indicates the error performance of the code. When the code rate is less than 1/2, efficient algorithms are available for finding minimum distance using the concept of information sets. When the code rate is greater than 1/2, only one information set is available and efficiency suffers. In this paper, we investigate and propose a novel algorithm to find the minimum distance of linear block codes with the code rate greater than 1/2. We propose to reverse the roles of information set and parity set to get virtually another information set to improve the efficiency. This method is 67.7 times faster than the minimum distance algorithm implemented in MAGMA Computational Algebra System for a (80, 45) linear block code.

Weighted subspace methods and spatial smoothing: analysis and comparison

The effect of using a spatially smoothed forward-backward covariance matrix on the performance of weighted eigen-based state space methods/ESPRIT, and weighted MUSIC for direction-of-arrival (DOA) estimation is analyzed. Expressions for the mean-squared error in the estimates of the signal zeros and the DOA estimates, along with some general properties of the estimates and optimal weighting matrices, are derived. A key result is that optimally weighted MUSIC and weighted state-space methods/ESPRIT have identical asymptotic performance. Moreover, by properly choosing the number of subarrays, the performance of unweighted state space methods can be significantly improved. It is also shown that the mean-squared error in the DOA estimates is independent of the exact distribution of the source amplitudes. This results in a unified framework for dealing with DOA estimation using a uniformly spaced linear sensor array and the time series frequency estimation problems.

Finite data performance of MUSIC and minimum norm methods

In the direction of arrival (DOA) estimation problem, we encounter both finite data and insufficient knowledge of array characterization. It is therefore important to study how subspace-based methods perform in such conditions. We analyze the finite data performance of the multiple signal classification (MUSIC) and minimum norm (min. norm) methods in the presence of sensor gain and phase errors, and derive expressions for the mean square error (MSE) in the DOA estimates. These expressions are first derived assuming an arbitrary array and then simplified for the special case of an uniform linear array with isotropic sensors. When they are further simplified for the case of finite data only and sensor errors only, they reduce to the recent results given in [9-12]. Computer simulations are used to verify the closeness between the predicted and simulated values of the MSE.

Fuel drop size measurement in a carburetted induction system with 2 throttling methods

A new throttling system far SI engines is examined. The SMD of the fuel droplets in the induction system is measured to evaluate the performance of the new device with respect to the conventional throttle plate arrangement. The measurements are conducted at steady now conditions. A forward angular scattering technique with a He-Ne laser beam is used for droplet size measurement. The experiments are carried out with different mixture strength, stream velocity and throttle positions. It is observed that A/F ratio has no effect on SMD. However, stream velocity and throttle position have a significant influence on SMD. The new throttling method is found to be more effective in reducing the SMD, particularly at low throttle opening and high stream velocity compared to the conventional throttle plate.

Distributed computation of fixed points of infinity-nonexpansive maps

The distributed implementation of an algorithm for computing fixed points of an infinity-nonexpansive map is shown to converge to the set of fixed points under very general conditions.