An efficient implementation of a high-order filter for a cubed-sphere spectral element model

NASA Astrophysics Data System (ADS)

Kang, Hyun-Gyu; Cheong, Hyeong-Bin

2017-03-01

A parallel-scalable, isotropic, scale-selective spatial filter was developed for the cubed-sphere spectral element model on the sphere. The filter equation is a high-order elliptic (Helmholtz) equation based on the spherical Laplacian operator, which is transformed into cubed-sphere local coordinates. The Laplacian operator is discretized on the computational domain, i.e., on each cell, by the spectral element method with Gauss-Lobatto Lagrange interpolating polynomials (GLLIPs) as the orthogonal basis functions. On the global domain, the discrete filter equation yielded a linear system represented by a highly sparse matrix. The density of this matrix increases quadratically (linearly) with the order of GLLIP (order of the filter), and the linear system is solved in only O (Ng) operations, where Ng is the total number of grid points. The solution, obtained by a row reduction method, demonstrated the typical accuracy and convergence rate of the cubed-sphere spectral element method. To achieve computational efficiency on parallel computers, the linear system was treated by an inverse matrix method (a sparse matrix-vector multiplication). The density of the inverse matrix was lowered to only a few times of the original sparse matrix without degrading the accuracy of the solution. For better computational efficiency, a local-domain high-order filter was introduced: The filter equation is applied to multiple cells, and then the central cell was only used to reconstruct the filtered field. The parallel efficiency of applying the inverse matrix method to the global- and local-domain filter was evaluated by the scalability on a distributed-memory parallel computer. The scale-selective performance of the filter was demonstrated on Earth topography. The usefulness of the filter as a hyper-viscosity for the vorticity equation was also demonstrated.

Neutronic fuel element fabrication

DOEpatents

Korton, George

2004-02-24

This disclosure describes a method for metallurgically bonding a complete leak-tight enclosure to a matrix-type fuel element penetrated longitudinally by a multiplicity of coolant channels. Coolant tubes containing solid filler pins are disposed in the coolant channels. A leak-tight metal enclosure is then formed about the entire assembly of fuel matrix, coolant tubes and pins. The completely enclosed and sealed assembly is exposed to a high temperature and pressure gas environment to effect a metallurgical bond between all contacting surfaces therein. The ends of the assembly are then machined away to expose the pin ends which are chemically leached from the coolant tubes to leave the coolant tubes with internal coolant passageways. The invention described herein was made in the course of, or under, a contract with the U.S. Atomic Energy Commission. It relates generally to fuel elements for neutronic reactors and more particularly to a method for providing a leak-tight metal enclosure for a high-performance matrix-type fuel element penetrated longitudinally by a multiplicity of coolant tubes. The planned utilization of nuclear energy in high-performance, compact-propulsion and mobile power-generation systems has necessitated the development of fuel elements capable of operating at high power densities. High power densities in turn require fuel elements having high thermal conductivities and good fuel retention capabilities at high temperatures. A metal clad fuel element containing a ceramic phase of fuel intimately mixed with and bonded to a continuous refractory metal matrix has been found to satisfy the above requirements. Metal coolant tubes penetrate the matrix to afford internal cooling to the fuel element while providing positive fuel retention and containment of fission products generated within the fuel matrix. Metal header plates are bonded to the coolant tubes at each end of the fuel element and a metal cladding or can completes the fuel-matrix enclosure by encompassing the sides of the fuel element between the header plates.

A stochastic method for computing hadronic matrix elements

DOE PAGES

Alexandrou, Constantia; Constantinou, Martha; Dinter, Simon; ...

2014-01-24

In this study, we present a stochastic method for the calculation of baryon 3-point functions which is an alternative to the typically used sequential method offering more versatility. We analyze the scaling of the error of the stochastically evaluated 3-point function with the lattice volume and find a favorable signal to noise ratio suggesting that the stochastic method can be extended to large volumes providing an efficient approach to compute hadronic matrix elements and form factors.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bouchard, Chris; Chang, Chia Cheng; Kurth, Thorsten

In this paper, the Feynman-Hellmann theorem can be derived from the long Euclidean-time limit of correlation functions determined with functional derivatives of the partition function. Using this insight, we fully develop an improved method for computing matrix elements of external currents utilizing only two-point correlation functions. Our method applies to matrix elements of any external bilinear current, including nonzero momentum transfer, flavor-changing, and two or more current insertion matrix elements. The ability to identify and control all the systematic uncertainties in the analysis of the correlation functions stems from the unique time dependence of the ground-state matrix elements and the fact that all excited states and contact terms are Euclidean-time dependent. We demonstrate the utility of our method with a calculation of the nucleon axial charge using gradient-flowed domain-wall valence quarks on themore » $$N_f=2+1+1$$ MILC highly improved staggered quark ensemble with lattice spacing and pion mass of approximately 0.15 fm and 310 MeV respectively. We show full control over excited-state systematics with the new method and obtain a value of $$g_A = 1.213(26)$$ with a quark-mass-dependent renormalization coefficient.« less

Battery element and method for making same

NASA Technical Reports Server (NTRS)

Clough, Thomas J. (Inventor); Pinsky, Naum (Inventor)

1989-01-01

In a method for producing a battery element useful as at least a positive plate in a lead-acid battery, the element comprising a fluid impervious, electrically conductive matrix having mutually opposing first and second surfaces and positive active electrode material associated with the first surface of the matrix, the improvement which comprises: conditioning the first surface to enhance the association of the positive active electrode material and the first surface; and applying and associating the positive active electrode material to the first surface.

Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions

NASA Astrophysics Data System (ADS)

Chen, Zhenhua; Chen, Xun; Wu, Wei

2013-04-01

In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.

A Measurement of the Top Quark Mass with the D0 Detector at s**(1/2) = 1.96-TeV using the Matrix Element Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kroeninger, Kevin Alexander; /Bonn U.

2004-04-01

Using a data set of 158 and 169 pb{sup -1} of D0 Run-II data in the electron and muon plus jets channel, respectively, the top quark mass has been measured using the Matrix Element Method. The method and its implementation are described. Its performance is studied in Monte Carlo using ensemble tests and the method is applied to the Moriond 2004 data set.

Forward problem solution as the operator of filtered and back projection matrix to reconstruct the various method of data collection and the object element model in electrical impedance tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ain, Khusnul; Physics Department - Airlangga University, Surabaya – Indonesia, khusnulainunair@yahoo.com; Kurniadi, Deddy

2015-04-16

Back projection reconstruction has been implemented to get the dynamical image in electrical impedance tomography. However the implementation is still limited in method of adjacent data collection and circular object element model. The study aims to develop the methods of back projection as reconstruction method that has the high speed, accuracy, and flexibility, which can be used for various methods of data collection and model of the object element. The proposed method uses the forward problem solution as the operator of filtered and back projection matrix. This is done through a simulation study on several methods of data collection andmore » various models of the object element. The results indicate that the developed method is capable of producing images, fastly and accurately for reconstruction of the various methods of data collection and models of the object element.« less

Polarimetric signatures of a canopy of dielectric cylinders based on first and second order vector radiative transfer theory

NASA Technical Reports Server (NTRS)

Tsang, Leung; Chan, Chi Hou; Kong, Jin AU; Joseph, James

1992-01-01

Complete polarimetric signatures of a canopy of dielectric cylinders overlying a homogeneous half space are studied with the first and second order solutions of the vector radiative transfer theory. The vector radiative transfer equations contain a general nondiagonal extinction matrix and a phase matrix. The energy conservation issue is addressed by calculating the elements of the extinction matrix and the elements of the phase matrix in a manner that is consistent with energy conservation. Two methods are used. In the first method, the surface fields and the internal fields of the dielectric cylinder are calculated by using the fields of an infinite cylinder. The phase matrix is calculated and the extinction matrix is calculated by summing the absorption and scattering to ensure energy conservation. In the second method, the method of moments is used to calculate the elements of the extinction and phase matrices. The Mueller matrix based on the first order and second order multiple scattering solutions of the vector radiative transfer equation are calculated. Results from the two methods are compared. The vector radiative transfer equations, combined with the solution based on method of moments, obey both energy conservation and reciprocity. The polarimetric signatures, copolarized and depolarized return, degree of polarization, and phase differences are studied as a function of the orientation, sizes, and dielectric properties of the cylinders. It is shown that second order scattering is generally important for vegetation canopy at C band and can be important at L band for some cases.

Optical matrix-matrix multiplication method demonstrated by the use of a multifocus hololens

NASA Technical Reports Server (NTRS)

Liu, H. K.; Liang, Y.-Z.

1984-01-01

A method of optical matrix-matrix multiplication is presented. The feasibility of the method is also experimentally demonstrated by the use of a dichromated-gelatin multifocus holographic lens (hololens). With the specific values of matrices chosen, the average percentage error between the theoretical and experimental data of the elements of the output matrix of the multiplication of some specific pairs of 3 x 3 matrices is 0.4 percent, which corresponds to an 8-bit accuracy.

Simplified microstrip discontinuity modeling using the transmission line matrix method interfaced to microwave CAD

NASA Astrophysics Data System (ADS)

Thompson, James H.; Apel, Thomas R.

1990-07-01

A technique for modeling microstrip discontinuities is presented which is derived from the transmission line matrix method of solving three-dimensional electromagnetic problems. In this technique the microstrip patch under investigation is divided into an integer number of square and half-square (triangle) subsections. An equivalent lumped-element model is calculated for each subsection. These individual models are then interconnected as dictated by the geometry of the patch. The matrix of lumped elements is then solved using either of two microwave CAD software interfaces with each port properly defined. Closed-form expressions for the lumped-element representation of the individual subsections is presented and experimentally verified through the X-band frequency range. A model demonstrating the use of symmetry and block construction of a circuit element is discussed, along with computer program development and CAD software interface.

A finite element formulation preserving symmetric and banded diffusion stiffness matrix characteristics for fractional differential equations

NASA Astrophysics Data System (ADS)

Lin, Zeng; Wang, Dongdong

2017-10-01

Due to the nonlocal property of the fractional derivative, the finite element analysis of fractional diffusion equation often leads to a dense and non-symmetric stiffness matrix, in contrast to the conventional finite element formulation with a particularly desirable symmetric and banded stiffness matrix structure for the typical diffusion equation. This work first proposes a finite element formulation that preserves the symmetry and banded stiffness matrix characteristics for the fractional diffusion equation. The key point of the proposed formulation is the symmetric weak form construction through introducing a fractional weight function. It turns out that the stiffness part of the present formulation is identical to its counterpart of the finite element method for the conventional diffusion equation and thus the stiffness matrix formulation becomes trivial. Meanwhile, the fractional derivative effect in the discrete formulation is completely transferred to the force vector, which is obviously much easier and efficient to compute than the dense fractional derivative stiffness matrix. Subsequently, it is further shown that for the general fractional advection-diffusion-reaction equation, the symmetric and banded structure can also be maintained for the diffusion stiffness matrix, although the total stiffness matrix is not symmetric in this case. More importantly, it is demonstrated that under certain conditions this symmetric diffusion stiffness matrix formulation is capable of producing very favorable numerical solutions in comparison with the conventional non-symmetric diffusion stiffness matrix finite element formulation. The effectiveness of the proposed methodology is illustrated through a series of numerical examples.

Superconducting coil and method of stress management in a superconducting coil

DOEpatents

McIntyre, Peter M.; Shen, Weijun; Diaczenko, Nick; Gross, Dan A.

1999-01-01

A superconducting coil (12) having a plurality of superconducting layers (18) is provided. Each superconducting layer (18) may have at least one superconducting element (20) which produces an operational load. An outer support structure (24) may be disposed outwardly from the plurality of layers (18). A load transfer system (22) may be coupled between at least one of the superconducting elements (20) and the outer support structure (24). The load transfer system (22) may include a support matrix structure (30) operable to transfer the operational load from the superconducting element (20) directly to the outer support structure (24). A shear release layer (40) may be disposed, in part, between the superconducting element (20) and the support matrix structure (30) for relieving a shear stress between the superconducting element (20) and the support matrix structure (30). A compliant layer (42) may also be disposed, in part, between the superconducting element (20) and the support matrix structure (30) for relieving a compressive stress on the superconducting element (20).

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks.

PubMed

Saravanan, Chandra; Shao, Yihan; Baer, Roi; Ross, Philip N; Head-Gordon, Martin

2003-04-15

A sparse matrix multiplication scheme with multiatom blocks is reported, a tool that can be very useful for developing linear-scaling methods with atom-centered basis functions. Compared to conventional element-by-element sparse matrix multiplication schemes, efficiency is gained by the use of the highly optimized basic linear algebra subroutines (BLAS). However, some sparsity is lost in the multiatom blocking scheme because these matrix blocks will in general contain negligible elements. As a result, an optimal block size that minimizes the CPU time by balancing these two effects is recovered. In calculations on linear alkanes, polyglycines, estane polymers, and water clusters the optimal block size is found to be between 40 and 100 basis functions, where about 55-75% of the machine peak performance was achieved on an IBM RS6000 workstation. In these calculations, the blocked sparse matrix multiplications can be 10 times faster than a standard element-by-element sparse matrix package. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 618-622, 2003

A Measurement of the Top Quark Mass in 1.96 TeV Proton-Antiproton Collisions Using a Novel Matrix Element Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freeman, John

A measurement of the top quark mass in tmore » $$\\bar{t}$$ → l + jets candidate events, obtained from p$$\\bar{p}$$ collisions at √s = 1.96 TeV at the Fermilab Tevatron using the CDF II detector, is presented. The measurement approach is that of a matrix element method. For each candidate event, a two dimensional likelihood is calculated in the top pole mass and a constant scale factor, 'JES', where JES multiplies the input particle jet momenta and is designed to account for the systematic uncertainty of the jet momentum reconstruction. As with all matrix element techniques, the method involves an integration using the Standard Model matrix element for t$$\\bar{t}$$ production and decay. However, the technique presented is unique in that the matrix element is modified to compensate for kinematic assumptions which are made to reduce computation time. Background events are dealt with through use of an event observable which distinguishes signal from background, as well as through a cut on the value of an event's maximum likelihood. Results are based on a 955 pb -1 data sample, using events with a high-p T lepton and exactly four high-energy jets, at least one of which is tagged as coming from a b quark; 149 events pass all the selection requirements. They find M meas = 169.8 ± 2.3(stat.) ± 1.4(syst.) GeV/c 2.« less

Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions.

PubMed

Harris, Frank E

2016-05-28

Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance rij. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validated by showing that they yield correct results for a large number of integrals published by other investigators.

Fast calculation of the sensitivity matrix in magnetic induction tomography by tetrahedral edge finite elements and the reciprocity theorem.

PubMed

Hollaus, K; Magele, C; Merwa, R; Scharfetter, H

2004-02-01

Magnetic induction tomography of biological tissue is used to reconstruct the changes in the complex conductivity distribution by measuring the perturbation of an alternating primary magnetic field. To facilitate the sensitivity analysis and the solution of the inverse problem a fast calculation of the sensitivity matrix, i.e. the Jacobian matrix, which maps the changes of the conductivity distribution onto the changes of the voltage induced in a receiver coil, is needed. The use of finite differences to determine the entries of the sensitivity matrix does not represent a feasible solution because of the high computational costs of the basic eddy current problem. Therefore, the reciprocity theorem was exploited. The basic eddy current problem was simulated by the finite element method using symmetric tetrahedral edge elements of second order. To test the method various simulations were carried out and discussed.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

NASA Technical Reports Server (NTRS)

Ren, Zhifeng (Inventor); Wang, Wenzhong (Inventor); Chen, Gang (Inventor); Dresselhaus, Mildred (Inventor); Poudel, Bed (Inventor); Kumar, Shankar (Inventor)

2009-01-01

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

DOEpatents

Ren, Zhifeng [Newton, MA; Chen, Gang [Carlisle, MA; Poudel, Bed [West Newton, MA; Kumar, Shankar [Newton, MA; Wang, Wenzhong [Beijing, CN; Dresselhaus, Mildred [Arlington, MA

2009-09-08

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Nanocrystal dispersed amorphous alloys

NASA Technical Reports Server (NTRS)

Perepezko, John H. (Inventor); Allen, Donald R. (Inventor); Foley, James C. (Inventor)

2001-01-01

Compositions and methods for obtaining nanocrystal dispersed amorphous alloys are described. A composition includes an amorphous matrix forming element (e.g., Al or Fe); at least one transition metal element; and at least one crystallizing agent that is insoluble in the resulting amorphous matrix. During devitrification, the crystallizing agent causes the formation of a high density nanocrystal dispersion. The compositions and methods provide advantages in that materials with superior properties are provided.

Approximate method of variational Bayesian matrix factorization/completion with sparse prior

NASA Astrophysics Data System (ADS)

Kawasumi, Ryota; Takeda, Koujin

2018-05-01

We derive the analytical expression of a matrix factorization/completion solution by the variational Bayes method, under the assumption that the observed matrix is originally the product of low-rank, dense and sparse matrices with additive noise. We assume the prior of a sparse matrix is a Laplace distribution by taking matrix sparsity into consideration. Then we use several approximations for the derivation of a matrix factorization/completion solution. By our solution, we also numerically evaluate the performance of a sparse matrix reconstruction in matrix factorization, and completion of a missing matrix element in matrix completion.

Method of determining lanthanidies in a transition element host

DOEpatents

De Kalb, Edward L.; Fassel, Velmer A.

1976-02-03

A phosphor composition contains a lanthanide activator element within a host matrix having a transition element as a major component. The host matrix is composed of certain rare earth phosphates or vanadates such as YPO.sub.4 with a portion of the rare earth replaced with one or more of the transition elements. On X-ray or other electromagnetic excitation, trace lanthanide impurities or additives within the phosphor are spectrometrically determined from their characteristic luminescence.

High power x-ray welding of metal-matrix composites

DOEpatents

Rosenberg, Richard A.; Goeppner, George A.; Noonan, John R.; Farrell, William J.; Ma, Qing

1999-01-01

A method for joining metal-matrix composites (MMCs) by using high power x-rays as a volumetric heat source is provided. The method involves directing an x-ray to the weld line between two adjacent MMCs materials to create an irradiated region or melt zone. The x-rays have a power density greater than about 10.sup.4 watts/cm.sup.2 and provide the volumetric heat required to join the MMC materials. Importantly, the reinforcing material of the metal-matrix composites remains uniformly distributed in the melt zone, and the strength of the MMCs are not diminished. In an alternate embodiment, high power x-rays are used to provide the volumetric heat required to weld metal elements, including metal elements comprised of metal alloys. In an alternate embodiment, high power x-rays are used to provide the volumetric heat required to weld metal elements, including metal elements comprised of metal alloys.

Cellular reflectarray antenna and method of making same

NASA Technical Reports Server (NTRS)

Romanofsky, Robert R (Inventor)

2011-01-01

A method of manufacturing a cellular reflectarray antenna arranged in an m by n matrix of radiating elements for communication with a satellite includes steps of determining a delay .phi.m,n for each of said m by n matrix of elements of said cellular reflectarray antenna using sub-steps of: determining the longitude and latitude of operation, determining elevation and azimuth angles of the reflectarray with respect to the satellite and converting theta.sub.0 (.theta..sub.0) and phi.sub.0 (.phi..sub.0), determining .DELTA..beta..sub.m,n, the pointing vector correction, for a given inter-element spacing and wavelength, determining .DELTA..phi..sub.m,n, the spherical wave front correction factor, for a given radius from the central element and/or from measured data from the feed horn; and, determining a delay .phi.m,n for each of said m by n matrix of elements as a function of .DELTA..beta..sub.m,n and .DELTA..phi..sub.m,n.

Cellular reflectarray antenna and method of making same

NASA Technical Reports Server (NTRS)

Romanofsky, Robert R (Inventor)

2010-01-01

A method of manufacturing a cellular reflectarray antenna arranged in an m by n matrix of radiating elements for communication with a satellite includes steps of determining a delay .phi.m,n for each of said m by n matrix of elements of said cellular reflectarray antenna using sub-steps of: determining the longitude and latitude of operation, determining elevation and azimuth angles of the reflectarray with respect to the satellite and converting theta.sub.0 (.theta..sub.0) and phi.sub.0 (.phi..sub.0), determining .DELTA..beta..sub.m,n, the pointing vector correction, for a given inter-element spacing and wavelength, determining .DELTA..phi..sub.m,n, the spherical wave front correction factor, for a given radius from the central element and/or from measured data from the feed horn; and, determining a delay .phi.m,n for each of said m by n matrix of elements as a function of .DELTA..beta..sub.m,n and .DELTA..phi..sub.m,n..

Dispersoid reinforced alloy powder and method of making

DOEpatents

Anderson, Iver E; Rieken, Joel

2013-12-10

A method of making dispersion-strengthened alloy particles involves melting an alloy having a corrosion and/or oxidation resistance-imparting alloying element, a dispersoid-forming element, and a matrix metal wherein the dispersoid-forming element exhibits a greater tendency to react with an introduced reactive species than does the alloying element and wherein one or more atomizing parameters is/are modified to controllably reduce the amount of the reactive species, such as oxygen, introduced into the atomized particles so as to reduce anneal times and improve reaction (conversion) to the desired strengthening dispersoids in the matrix. The atomized alloy particles are solidified as solidified alloy particles or as a solidified deposit of alloy particles. Bodies are made from the dispersion strengthened alloy particles, deposit thereof, exhibit enhanced fatigue and creep resistance and reduced wear as well as enhanced corrosion and/or oxidation resistance at high temperatures by virtue of the presence of the corrosion and/or oxidation resistance imparting alloying element in solid solution in the particle alloy matrix.

Trace element analysis of extraterrestrial metal samples by inductively coupled plasma mass spectrometry: the standard solutions and digesting acids.

PubMed

Wang, Guiqin; Wu, Yangsiqian; Lin, Yangting

2016-02-28

Nearly 99% of the total content of extraterrestrial metals is composed of Fe and Ni, but with greatly variable trace element contents. The accuracy obtained in the inductively coupled plasma mass spectrometry (ICP-MS) analysis of solutions of these samples can be significantly influenced by matrix contents, polyatomic ion interference, and the concentrations of external standard solutions. An ICP-MS instrument (X Series 2) was used to determine 30 standard solutions with different concentrations of trace elements, and different matrix contents. Based on these measurements, the matrix effects were determined. Three iron meteorites were dissolved separately in aqua regia and HNO3. Deviations due to variation of matrix contents in the external standard solutions were evaluated and the analysis results of the two digestion methods for iron meteorites were assessed. Our results show obvious deviations due to unmatched matrix contents in the external standard solutions. Furthermore, discrepancy in the measurement of some elements was found between the sample solutions prepared with aqua regia and HNO3, due to loss of chloride during sample preparation and/or incomplete digestion of highly siderophile elements in iron meteorites. An accurate ICP-MS analysis method for extraterrestrial metal samples has been established using external standard solutions with matched matrix contents and digesting the samples with HNO3 and aqua regia. Using the data from this work, the Mundrabilla iron meteorite previously classified as IAB-ung is reclassified as IAB-MG. Copyright © 2016 John Wiley & Sons, Ltd.

A comparison of matrix methods for calculating eigenvalues in acoustically lined ducts

NASA Technical Reports Server (NTRS)

Watson, W.; Lansing, D. L.

1976-01-01

Three approximate methods - finite differences, weighted residuals, and finite elements - were used to solve the eigenvalue problem which arises in finding the acoustic modes and propagation constants in an absorptively lined two-dimensional duct without airflow. The matrix equations derived for each of these methods were solved for the eigenvalues corresponding to various values of wall impedance. Two matrix orders, 20 x 20 and 40 x 40, were used. The cases considered included values of wall admittance for which exact eigenvalues were known and for which several nearly equal roots were present. Ten of the lower order eigenvalues obtained from the three approximate methods were compared with solutions calculated from the exact characteristic equation in order to make an assessment of the relative accuracy and reliability of the three methods. The best results were given by the finite element method using a cubic polynomial. Excellent accuracy was consistently obtained, even for nearly equal eigenvalues, by using a 20 x 20 order matrix.

NUCLEAR REACTOR FUEL ELEMENTS AND METHOD OF PREPARATION

DOEpatents

Kingston, W.E.; Kopelman, B.; Hausner, H.H.

1963-07-01

A fuel element consisting of uranium nitride and uranium carbide in the form of discrete particles in a solid coherent matrix of a metal such as steel, beryllium, uranium, or zirconium and clad with a metal such as steel, aluminum, zirconium, or beryllium is described. The element is made by mixing powdered uranium nitride and uranium carbide with powdered matrix metal, then compacting and sintering the mixture. (AEC)

Low temperature chemical processing of graphite-clad nuclear fuels

DOEpatents

Pierce, Robert A.

2017-10-17

A reduced-temperature method for treatment of a fuel element is described. The method includes molten salt treatment of a fuel element with a nitrate salt. The nitrate salt can oxidize the outer graphite matrix of a fuel element. The method can also include reduced temperature degradation of the carbide layer of a fuel element and low temperature solubilization of the fuel in a kernel of a fuel element.

Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harris, Frank E., E-mail: harris@qtp.ufl.edu

Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance r{sub ij}. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validatedmore » by showing that they yield correct results for a large number of integrals published by other investigators.« less

Gradient-based stochastic estimation of the density matrix

NASA Astrophysics Data System (ADS)

Wang, Zhentao; Chern, Gia-Wei; Batista, Cristian D.; Barros, Kipton

2018-03-01

Fast estimation of the single-particle density matrix is key to many applications in quantum chemistry and condensed matter physics. The best numerical methods leverage the fact that the density matrix elements f(H)ij decay rapidly with distance rij between orbitals. This decay is usually exponential. However, for the special case of metals at zero temperature, algebraic decay of the density matrix appears and poses a significant numerical challenge. We introduce a gradient-based probing method to estimate all local density matrix elements at a computational cost that scales linearly with system size. For zero-temperature metals, the stochastic error scales like S-(d+2)/2d, where d is the dimension and S is a prefactor to the computational cost. The convergence becomes exponential if the system is at finite temperature or is insulating.

A Numerical Method for Simulating the Microscopic Damage Evolution in Composites Under Uniaxial Transverse Tension

NASA Astrophysics Data System (ADS)

Zhi, Jie; Zhao, Libin; Zhang, Jianyu; Liu, Zhanli

2016-06-01

In this paper, a new numerical method that combines a surface-based cohesive model and extended finite element method (XFEM) without predefining the crack paths is presented to simulate the microscopic damage evolution in composites under uniaxial transverse tension. The proposed method is verified to accurately capture the crack kinking into the matrix after fiber/matrix debonding. A statistical representative volume element (SRVE) under periodic boundary conditions is used to approximate the microstructure of the composites. The interface parameters of the cohesive models are investigated, in which the initial interface stiffness has a great effect on the predictions of the fiber/matrix debonding. The detailed debonding states of SRVE with strong and weak interfaces are compared based on the surface-based and element-based cohesive models. The mechanism of damage in composites under transverse tension is described as the appearance of the interface cracks and their induced matrix micro-cracking, both of which coalesce into transversal macro-cracks. Good agreement is found between the predictions of the model and the in situ experimental observations, demonstrating the efficiency of the presented model for simulating the microscopic damage evolution in composites.

Role of the Euclidean signature in lattice calculations of quasidistributions and other nonlocal matrix elements

NASA Astrophysics Data System (ADS)

Briceño, Raúl A.; Hansen, Maxwell T.; Monahan, Christopher J.

2017-07-01

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate that the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Finally we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.

Role of the Euclidean signature in lattice calculations of quasidistributions and other nonlocal matrix elements

DOE PAGES

Briceno, Raul A.; Hansen, Maxwell T.; Monahan, Christopher J.

2017-07-11

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate thatmore » the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Lastly, we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.« less

Acceleration of intensity-modulated radiotherapy dose calculation by importance sampling of the calculation matrices.

PubMed

Thieke, Christian; Nill, Simeon; Oelfke, Uwe; Bortfeld, Thomas

2002-05-01

In inverse planning for intensity-modulated radiotherapy, the dose calculation is a crucial element limiting both the maximum achievable plan quality and the speed of the optimization process. One way to integrate accurate dose calculation algorithms into inverse planning is to precalculate the dose contribution of each beam element to each voxel for unit fluence. These precalculated values are stored in a big dose calculation matrix. Then the dose calculation during the iterative optimization process consists merely of matrix look-up and multiplication with the actual fluence values. However, because the dose calculation matrix can become very large, this ansatz requires a lot of computer memory and is still very time consuming, making it not practical for clinical routine without further modifications. In this work we present a new method to significantly reduce the number of entries in the dose calculation matrix. The method utilizes the fact that a photon pencil beam has a rapid radial dose falloff, and has very small dose values for the most part. In this low-dose part of the pencil beam, the dose contribution to a voxel is only integrated into the dose calculation matrix with a certain probability. Normalization with the reciprocal of this probability preserves the total energy, even though many matrix elements are omitted. Three probability distributions were tested to find the most accurate one for a given memory size. The sampling method is compared with the use of a fully filled matrix and with the well-known method of just cutting off the pencil beam at a certain lateral distance. A clinical example of a head and neck case is presented. It turns out that a sampled dose calculation matrix with only 1/3 of the entries of the fully filled matrix does not sacrifice the quality of the resulting plans, whereby the cutoff method results in a suboptimal treatment plan.

Finite-element grid improvement by minimization of stiffness matrix trace

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.; Oswald, Fred B.

1989-01-01

A new and simple method of finite-element grid improvement is presented. The objective is to improve the accuracy of the analysis. The procedure is based on a minimization of the trace of the stiffness matrix. For a broad class of problems this minimization is seen to be equivalent to minimizing the potential energy. The method is illustrated with the classical tapered bar problem examined earlier by Prager and Masur. Identical results are obtained.

Finite-element grid improvement by minimization of stiffness matrix trace

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.; Oswald, Fred B.

1987-01-01

A new and simple method of finite-element grid improvement is presented. The objective is to improve the accuracy of the analysis. The procedure is based on a minimization of the trace of the stiffness matrix. For a broad class of problems this minimization is seen to be equivalent to minimizing the potential energy. The method is illustrated with the classical tapered bar problem examined earlier by Prager and Masur. Identical results are obtained.

Minimal parameter solution of the orthogonal matrix differential equation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Markley, F. Landis

1990-01-01

As demonstrated in this work, all orthogonal matrices solve a first order differential equation. The straightforward solution of this equation requires n sup 2 integrations to obtain the element of the nth order matrix. There are, however, only n(n-1)/2 independent parameters which determine an orthogonal matrix. The questions of choosing them, finding their differential equation and expressing the orthogonal matrix in terms of these parameters are considered. Several possibilities which are based on attitude determination in three dimensions are examined. It is shown that not all 3-D methods have useful extensions to higher dimensions. It is also shown why the rate of change of the matrix elements, which are the elements of the angular rate vector in 3-D, are the elements of a tensor of the second rank (dyadic) in spaces other than three dimensional. It is proven that the 3-D Gibbs vector (or Cayley Parameters) are extendable to other dimensions. An algorithm is developed emplying the resulting parameters, which are termed Extended Rodrigues Parameters, and numerical results are presented of the application of the algorithm to a fourth order matrix.

Minimal parameter solution of the orthogonal matrix differential equation

NASA Technical Reports Server (NTRS)

Baritzhack, Itzhack Y.; Markley, F. Landis

1988-01-01

As demonstrated in this work, all orthogonal matrices solve a first order differential equation. The straightforward solution of this equation requires n sup 2 integrations to obtain the element of the nth order matrix. There are, however, only n(n-1)/2 independent parameters which determine an orthogonal matrix. The questions of choosing them, finding their differential equation and expressing the orthogonal matrix in terms of these parameters are considered. Several possibilities which are based on attitude determination in three dimensions are examined. It is shown that not all 3-D methods have useful extensions to higher dimensions. It is also shown why the rate of change of the matrix elements, which are the elements of the angular rate vector in 3-D, are the elements of a tensor of the second rank (dyadic) in spaces other than three dimensional. It is proven that the 3-D Gibbs vector (or Cayley Parameters) are extendable to other dimensions. An algorithm is developed employing the resulting parameters, which are termed Extended Rodrigues Parameters, and numerical results are presented of the application of the algorithm to a fourth order matrix.

HFEM3D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weiss, Chester J

Software solves the three-dimensional Poisson equation div(k(grad(u)) = f, by the finite element method for the case when material properties, k, are distributed over hierarchy of edges, facets and tetrahedra in the finite element mesh. Method is described in Weiss, CJ, Finite element analysis for model parameters distributed on a hierarchy of geometric simplices, Geophysics, v82, E155-167, doi:10.1190/GEO2017-0058.1 (2017). A standard finite element method for solving Poisson’s equation is augmented by including in the 3D stiffness matrix additional 2D and 1D stiffness matrices representing the contributions from material properties associated with mesh faces and edges, respectively. The resulting linear systemmore » is solved iteratively using the conjugate gradient method with Jacobi preconditioning. To minimize computer storage for program execution, the linear solver computes matrix-vector contractions element-by-element over the mesh, without explicit storage of the global stiffness matrix. Program output vtk compliant for visualization and rendering by 3rd party software. Program uses dynamic memory allocation and as such there are no hard limits on problem size outside of those imposed by the operating system and configuration on which the software is run. Dimension, N, of the finite element solution vector is constrained by the the addressable space in 32-vs-64 bit operating systems. Total storage requirements for the problem. Total working space required for the program is approximately 13*N double precision words.« less

Experimental Detection and Visualization of the Extracellular Matrix in Macrocolony Biofilms.

PubMed

Serra, Diego O; Hengge, Regine

2017-01-01

By adopting elaborate three-dimensional morphologies that vary according to their extracellular matrix composition, macrocolony biofilms offer a unique opportunity to interrogate about the roles of specific matrix components in shaping biofilm architecture. Here, we describe two methods optimized for Escherichia coli that profit from morphology and the high level of structural organization of macrocolonies to gain insight into the production and assembly of amyloid curli and cellulose-the two major biofilm matrix elements of E. coli-in biofilms. The first method, the macrocolony morphology assay, is based on the ability of curli and cellulose-either alone or in combination-to generate specific morphological and Congo Red-staining patterns in E. coli macrocolonies, which can then be used as a direct visual readout for the production of these matrix components. The second method involves thin sectioning of macrocolonies, which along with in situ staining of amyloid curli and cellulose and microscopic imaging allows gaining fine details of the spatial arrangement of both matrix elements inside macrocolonies. Beyond their current use with E. coli and related curli and cellulose-producing Enterobacteriaceae, both the methods offer the potential to be adapted to other bacterial species.

Adaptive mixed finite element methods for Darcy flow in fractured porous media

NASA Astrophysics Data System (ADS)

Chen, Huangxin; Salama, Amgad; Sun, Shuyu

2016-10-01

In this paper, we propose adaptive mixed finite element methods for simulating the single-phase Darcy flow in two-dimensional fractured porous media. The reduced model that we use for the simulation is a discrete fracture model coupling Darcy flows in the matrix and the fractures, and the fractures are modeled by one-dimensional entities. The Raviart-Thomas mixed finite element methods are utilized for the solution of the coupled Darcy flows in the matrix and the fractures. In order to improve the efficiency of the simulation, we use adaptive mixed finite element methods based on novel residual-based a posteriori error estimators. In addition, we develop an efficient upscaling algorithm to compute the effective permeability of the fractured porous media. Several interesting examples of Darcy flow in the fractured porous media are presented to demonstrate the robustness of the algorithm.

Partial restoration of isospin symmetry for neutrinoless double β decay in the deformed nuclear system of 150Nd

NASA Astrophysics Data System (ADS)

Fang, Dong-Liang; Faessler, Amand; Simkovic, Fedor

2015-10-01

In this work, we calculate the matrix elements for the 0 ν β β decay of 150Nd using the deformed quasiparticle random-phase approximation (p n -QRPA) method. We adopted the approach introduced by Rodin and Faessler [Phys. Rev. C 84, 014322 (2011), 10.1103/PhysRevC.84.014322] and Simkovic et al. [Phys. Rev. C 87, 045501 (2013), 10.1103/PhysRevC.87.045501] to restore the isospin symmetry by enforcing MF2 ν=0 . We found that with this restoration, the Fermi matrix elements are reduced in the strongly deformed 150Nd by about 15 to 20%, while the more important Gamow-Teller matrix elements remain the same. The results of an enlarged model space are also presented. This enlargement increases the total (Fermi plus Gamow-Teller) matrix elements by less than 10%.

Polarization-interference Jones-matrix mapping of biological crystal networks

NASA Astrophysics Data System (ADS)

Ushenko, O. G.; Dubolazov, O. V.; Pidkamin, L. Y.; Sidor, M. I.; Pavlyukovich, N.; Pavlyukovich, O.

2018-01-01

The paper consists of two parts. The first part presents short theoretical basics of the method of Jones-matrix mapping with the help of reference wave. It was provided experimentally measured coordinate distributions of modulus of Jones-matrix elements of polycrystalline film of bile. It was defined the values and ranges of changing of statistic moments, which characterize such distributions. The second part presents the data of statistic analysis of the distributions of matrix elements of polycrystalline film of urine of donors and patients with albuminuria. It was defined the objective criteria of differentiation of albuminuria.

Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules

NASA Astrophysics Data System (ADS)

Zhang, Linda Yu; Friesner, Richard A.; Murphy, Robert B.

1997-07-01

Using a diabatic state formalism and pseudospectral numerical methods, we have developed an efficient ab initio quantum chemical approach to the calculation of electron transfer matrix elements for large molecules. The theory is developed at the Hartree-Fock level and validated by comparison with results in the literature for small systems. As an example of the power of the method, we calculate the electronic coupling between two bacteriochlorophyll molecules in various intermolecular geometries. Only a single self-consistent field (SCF) calculation on each of the monomers is needed to generate coupling matrix elements for all of the molecular pairs. The largest calculations performed, utilizing 1778 basis functions, required ˜14 h on an IBM 390 workstation. This is considerably less cpu time than would be necessitated with a supermolecule adiabatic state calculation and a conventional electronic structure code.

The effect of stochiastic technique on estimates of population viability from transition matrix models

USGS Publications Warehouse

Kaye, T.N.; Pyke, David A.

2003-01-01

Population viability analysis is an important tool for conservation biologists, and matrix models that incorporate stochasticity are commonly used for this purpose. However, stochastic simulations may require assumptions about the distribution of matrix parameters, and modelers often select a statistical distribution that seems reasonable without sufficient data to test its fit. We used data from long-term (5a??10 year) studies with 27 populations of five perennial plant species to compare seven methods of incorporating environmental stochasticity. We estimated stochastic population growth rate (a measure of viability) using a matrix-selection method, in which whole observed matrices were selected at random at each time step of the model. In addition, we drew matrix elements (transition probabilities) at random using various statistical distributions: beta, truncated-gamma, truncated-normal, triangular, uniform, or discontinuous/observed. Recruitment rates were held constant at their observed mean values. Two methods of constraining stage-specific survival to a??100% were also compared. Different methods of incorporating stochasticity and constraining matrix column sums interacted in their effects and resulted in different estimates of stochastic growth rate (differing by up to 16%). Modelers should be aware that when constraining stage-specific survival to 100%, different methods may introduce different levels of bias in transition element means, and when this happens, different distributions for generating random transition elements may result in different viability estimates. There was no species effect on the results and the growth rates derived from all methods were highly correlated with one another. We conclude that the absolute value of population viability estimates is sensitive to model assumptions, but the relative ranking of populations (and management treatments) is robust. Furthermore, these results are applicable to a range of perennial plants and possibly other life histories.

A finite element: Boundary integral method for electromagnetic scattering. Ph.D. Thesis Technical Report, Feb. - Sep. 1992

NASA Technical Reports Server (NTRS)

Collins, J. D.; Volakis, John L.

1992-01-01

A method that combines the finite element and boundary integral techniques for the numerical solution of electromagnetic scattering problems is presented. The finite element method is well known for requiring a low order storage and for its capability to model inhomogeneous structures. Of particular emphasis in this work is the reduction of the storage requirement by terminating the finite element mesh on a boundary in a fashion which renders the boundary integrals in convolutional form. The fast Fourier transform is then used to evaluate these integrals in a conjugate gradient solver, without a need to generate the actual matrix. This method has a marked advantage over traditional integral equation approaches with respect to the storage requirement of highly inhomogeneous structures. Rectangular, circular, and ogival mesh termination boundaries are examined for two-dimensional scattering. In the case of axially symmetric structures, the boundary integral matrix storage is reduced by exploiting matrix symmetries and solving the resulting system via the conjugate gradient method. In each case several results are presented for various scatterers aimed at validating the method and providing an assessment of its capabilities. Important in methods incorporating boundary integral equations is the issue of internal resonance. A method is implemented for their removal, and is shown to be effective in the two-dimensional and three-dimensional applications.

Matrix elements for type 1 unitary irreducible representations of the Lie superalgebra gl(m|n)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gould, Mark D.; Isaac, Phillip S.; Werry, Jason L.

Using our recent results on eigenvalues of invariants associated to the Lie superalgebra gl(m|n), we use characteristic identities to derive explicit matrix element formulae for all gl(m|n) generators, particularly non-elementary generators, on finite dimensional type 1 unitary irreducible representations. We compare our results with existing works that deal with only subsets of the class of type 1 unitary representations, all of which only present explicit matrix elements for elementary generators. Our work therefore provides an important extension to existing methods, and thus highlights the strength of our techniques which exploit the characteristic identities.

Collision for Li++He System. I. Potential Curves and Non-Adiabatic Coupling Matrix Elements

NASA Astrophysics Data System (ADS)

Yoshida, Junichi; O-Ohata, Kiyosi

1984-02-01

The potential curves and the non-adiabatic coupling matrix elements for the Li++He collision system were computed. The SCF molecular orbitals were constructed with the CGTO atomic bases centered on each nucleus and the center of mass of two nuclei. The SCF and CI calculations were done at various internuclear distances in the range of 0.1˜25.0 a.u. The potential energies and the wavefunctions were calculated with good approximation over whole internuclear distance. The non-adiabatic coupling matrix elements were calculated with the tentative method in which the ETF are approximately taken into account.

Quantum tomography for measuring experimentally the matrix elements of an arbitrary quantum operation.

PubMed

D'Ariano, G M; Lo Presti, P

2001-05-07

Quantum operations describe any state change allowed in quantum mechanics, including the evolution of an open system or the state change due to a measurement. We present a general method based on quantum tomography for measuring experimentally the matrix elements of an arbitrary quantum operation. As input the method needs only a single entangled state. The feasibility of the technique for the electromagnetic field is shown, and the experimental setup is illustrated based on homodyne tomography of a twin beam.

Computationally efficient modeling and simulation of large scale systems

NASA Technical Reports Server (NTRS)

Jain, Jitesh (Inventor); Cauley, Stephen F. (Inventor); Li, Hong (Inventor); Koh, Cheng-Kok (Inventor); Balakrishnan, Venkataramanan (Inventor)

2010-01-01

A method of simulating operation of a VLSI interconnect structure having capacitive and inductive coupling between nodes thereof. A matrix X and a matrix Y containing different combinations of passive circuit element values for the interconnect structure are obtained where the element values for each matrix include inductance L and inverse capacitance P. An adjacency matrix A associated with the interconnect structure is obtained. Numerical integration is used to solve first and second equations, each including as a factor the product of the inverse matrix X.sup.1 and at least one other matrix, with first equation including X.sup.1Y, X.sup.1A, and X.sup.1P, and the second equation including X.sup.1A and X.sup.1P.

Texture zeros and hierarchical masses from flavour (mis)alignment

NASA Astrophysics Data System (ADS)

Hollik, W. G.; Saldana-Salazar, U. J.

2018-03-01

We introduce an unconventional interpretation of the fermion mass matrix elements. As the full rotational freedom of the gauge-kinetic terms renders a set of infinite bases called weak bases, basis-dependent structures as mass matrices are unphysical. Matrix invariants, on the other hand, provide a set of basis-independent objects which are of more relevance. We employ one of these invariants to give a new parametrisation of the mass matrices. By virtue of it, one gains control over its implicit implications on several mass matrix structures. The key element is the trace invariant which resembles the equation of a hypersphere with a radius equal to the Frobenius norm of the mass matrix. With the concepts of alignment or misalignment we can identify texture zeros with certain alignments whereas Froggatt-Nielsen structures in the matrix elements are governed by misalignment. This method allows further insights of traditional approaches to the underlying flavour geometry.

Determination of 18 kinds of trace impurities in the vanadium battery grade vanadyl sulfate by ICP-OES

NASA Astrophysics Data System (ADS)

Yong, Cheng

2018-03-01

The method that direct determination of 18 kinds of trace impurities in the vanadium battery grade vanadyl sulfate by inductively coupled plasma atomic emission spectrometry (ICP-OES) was established, and the detection range includes 0.001% ∼ 0.100% of Fe, Cr, Ni, Cu, Mn, Mo, Pb, As, Co, P, Ti, Zn and 0.005% ∼ 0.100% of K, Na, Ca, Mg, Si, Al. That the influence of the matrix effects, spectral interferences and background continuum superposition in the high concentrations of vanadium ions and sulfate coexistence system had been studied, and then the following conclusions were obtained: the sulfate at this concentration had no effect on the determination, but the matrix effects or continuous background superposition which were generated by high concentration of vanadium ions had negative interference on the determination of potassium and sodium, and it produced a positive interference on the determination of the iron and other impurity elements, so that the impacts of high vanadium matrix were eliminated by the matrix matching and combining synchronous background correction measures. Through the spectral interference test, the paper classification summarized the spectral interferences of vanadium matrix and between the impurity elements, and the analytical lines, the background correction regions and working parameters of the spectrometer were all optimized. The technical performance index of the analysis method is that the background equivalent concentration -0.0003%(Na)~0.0004%(Cu), the detection limit of the element is 0.0001%∼ 0.0003%, RSD<10% when the element content is in the range from 0.001% to 0.007%, RSD< 20% even if the element content is in the range from 0.0001% to 0.001% that is beyond the scope of the method of detection, recoveries is 91.0% ∼ 110.0%.

Symmetry considerations in the scattering of identical composite bodies

NASA Technical Reports Server (NTRS)

Norbury, J. W.; Townsend, L. W.; Deutchman, P. A.

1986-01-01

Previous studies of the interactions between composite particles were extended to the case in which the composites are identical. The form of the total interaction potential matrix elements was obtained, and guidelines for their explicit evaluation were given. For the case of elastic scattering of identical composites, the matrix element approach was shown to be equivalent to the scattering amplitude method.

Computation of leaky guided waves dispersion spectrum using vibroacoustic analyses and the Matrix Pencil Method: a validation study for immersed rectangular waveguides.

PubMed

Mazzotti, M; Bartoli, I; Castellazzi, G; Marzani, A

2014-09-01

The paper aims at validating a recently proposed Semi Analytical Finite Element (SAFE) formulation coupled with a 2.5D Boundary Element Method (2.5D BEM) for the extraction of dispersion data in immersed waveguides of generic cross-section. To this end, three-dimensional vibroacoustic analyses are carried out on two waveguides of square and rectangular cross-section immersed in water using the commercial Finite Element software Abaqus/Explicit. Real wavenumber and attenuation dispersive data are extracted by means of a modified Matrix Pencil Method. It is demonstrated that the results obtained using the two techniques are in very good agreement. Copyright © 2014 Elsevier B.V. All rights reserved.

Scattering Matrix for Typical Urban Anthropogenic Origin Cement Dust and Discrimination of Representative Atmospheric Particulates

NASA Astrophysics Data System (ADS)

Liu, Jia; Zhang, Yongming; Zhang, Qixing; Wang, Jinjun

2018-03-01

The complete scattering matrix for cement dust was measured as a function of scattering angle from 5° to 160° at a wavelength of 532 nm, as a representative of mineral dust of anthropogenic origin in urban areas. Other related characteristics of cement dust, such as particle size distribution, chemical composition, refractive index, and micromorphology, were also analyzed. For this objective, a newly improved apparatus was built and calibrated using water droplets. Measurements of water droplets were in good agreement with Lorenz-Mie calculations. To facilitate the direct applicability of measurements for cement dust in radiative transfer calculation, the synthetic scattering matrix was computed and defined over the full scattering angle range from 0° to 180°. The scattering matrices for cement dust and typical natural mineral dusts were found to be similar in trends and angular behaviors. Angular distributions of all matrix elements were confined to rather limited domains. To promote the application of light-scattering matrix in atmospheric observation and remote sensing, discrimination methods for various atmospheric particulates (cement dust, soot, smolder smoke, and water droplets) based on the angular distributions of their scattering matrix elements are discussed. The ratio -F12/F11 proved to be the most effective discrimination method when a single matrix element is employed; aerosol identification can be achieved based on -F12/F11 values at 90° and 160°. Meanwhile, the combinations of -F12/F11 with F22/F11 (or (F11 - F22)/(F11 + F22)) or -F12/F11 with F44/F11 at 160° can be used when multiple matrix elements at the same scattering angle are selected.

Parallel algorithms for computation of the manipulator inertia matrix

NASA Technical Reports Server (NTRS)

Amin-Javaheri, Masoud; Orin, David E.

1989-01-01

The development of an O(log2N) parallel algorithm for the manipulator inertia matrix is presented. It is based on the most efficient serial algorithm which uses the composite rigid body method. Recursive doubling is used to reformulate the linear recurrence equations which are required to compute the diagonal elements of the matrix. It results in O(log2N) levels of computation. Computation of the off-diagonal elements involves N linear recurrences of varying-size and a new method, which avoids redundant computation of position and orientation transforms for the manipulator, is developed. The O(log2N) algorithm is presented in both equation and graphic forms which clearly show the parallelism inherent in the algorithm.

Activated phosphors having matrices of yttrium-transition metal compound

DOEpatents

De Kalb, E.L.; Fassel, V.A.

1975-07-01

A method is described for preparing a phosphor composition containing a lanthanide activator element with a host matrix having a transition element as a major component. The host matrix is composed of certain rare earth phosphates or vanadates such as YPO$sub 4$ with a portion of the rare earth replaced with one or more of the transition elements. On x-ray or other electromagnetic excitation, trace lanthanide impurities or additives within the phosphor are spectrometrically determined from their characteristic luminescence. (auth)

Analysis of wave motion in one-dimensional structures through fast-Fourier-transform-based wavelet finite element method

NASA Astrophysics Data System (ADS)

Shen, Wei; Li, Dongsheng; Zhang, Shuaifang; Ou, Jinping

2017-07-01

This paper presents a hybrid method that combines the B-spline wavelet on the interval (BSWI) finite element method and spectral analysis based on fast Fourier transform (FFT) to study wave propagation in One-Dimensional (1D) structures. BSWI scaling functions are utilized to approximate the theoretical wave solution in the spatial domain and construct a high-accuracy dynamic stiffness matrix. Dynamic reduction on element level is applied to eliminate the interior degrees of freedom of BSWI elements and substantially reduce the size of the system matrix. The dynamic equations of the system are then transformed and solved in the frequency domain through FFT-based spectral analysis which is especially suitable for parallel computation. A comparative analysis of four different finite element methods is conducted to demonstrate the validity and efficiency of the proposed method when utilized in high-frequency wave problems. Other numerical examples are utilized to simulate the influence of crack and delamination on wave propagation in 1D rods and beams. Finally, the errors caused by FFT and their corresponding solutions are presented.

Harnessing molecular excited states with Lanczos chains.

PubMed

Baroni, Stefano; Gebauer, Ralph; Bariş Malcioğlu, O; Saad, Yousef; Umari, Paolo; Xian, Jiawei

2010-02-24

The recursion method of Haydock, Heine and Kelly is a powerful tool for calculating diagonal matrix elements of the resolvent of quantum-mechanical Hamiltonian operators by elegantly expressing them in terms of continued fractions. In this paper we extend the recursion method to off-diagonal matrix elements of general (possibly non-Hermitian) operators and apply it to the simulation of molecular optical absorption and photoemission spectra within time-dependent density-functional and many-body perturbation theories, respectively. This method is demonstrated with a couple of applications to the optical absorption and photoemission spectra of the caffeine molecule.

Harnessing molecular excited states with Lanczos chains

NASA Astrophysics Data System (ADS)

Baroni, Stefano; Gebauer, Ralph; Bariş Malcioğlu, O.; Saad, Yousef; Umari, Paolo; Xian, Jiawei

2010-02-01

The recursion method of Haydock, Heine and Kelly is a powerful tool for calculating diagonal matrix elements of the resolvent of quantum-mechanical Hamiltonian operators by elegantly expressing them in terms of continued fractions. In this paper we extend the recursion method to off-diagonal matrix elements of general (possibly non-Hermitian) operators and apply it to the simulation of molecular optical absorption and photoemission spectra within time-dependent density-functional and many-body perturbation theories, respectively. This method is demonstrated with a couple of applications to the optical absorption and photoemission spectra of the caffeine molecule.

Current matrix element in HAL QCD's wavefunction-equivalent potential method

NASA Astrophysics Data System (ADS)

Watanabe, Kai; Ishii, Noriyoshi

2018-04-01

We give a formula to calculate a matrix element of a conserved current in the effective quantum mechanics defined by the wavefunction-equivalent potentials proposed by the HAL QCD collaboration. As a first step, a non-relativistic field theory with two-channel coupling is considered as the original theory, with which a wavefunction-equivalent HAL QCD potential is obtained in a closed analytic form. The external field method is used to derive the formula by demanding that the result should agree with the original theory. With this formula, the matrix element is obtained by sandwiching the effective current operator between the left and right eigenfunctions of the effective Hamiltonian associated with the HAL QCD potential. In addition to the naive one-body current, the effective current operator contains an additional two-body term emerging from the degrees of freedom which has been integrated out.

Fast mean and variance computation of the diffuse sound transmission through finite-sized thick and layered wall and floor systems

NASA Astrophysics Data System (ADS)

Decraene, Carolina; Dijckmans, Arne; Reynders, Edwin P. B.

2018-05-01

A method is developed for computing the mean and variance of the diffuse field sound transmission loss of finite-sized layered wall and floor systems that consist of solid, fluid and/or poroelastic layers. This is achieved by coupling a transfer matrix model of the wall or floor to statistical energy analysis subsystem models of the adjacent room volumes. The modal behavior of the wall is approximately accounted for by projecting the wall displacement onto a set of sinusoidal lateral basis functions. This hybrid modal transfer matrix-statistical energy analysis method is validated on multiple wall systems: a thin steel plate, a polymethyl methacrylate panel, a thick brick wall, a sandwich panel, a double-leaf wall with poro-elastic material in the cavity, and a double glazing. The predictions are compared with experimental data and with results obtained using alternative prediction methods such as the transfer matrix method with spatial windowing, the hybrid wave based-transfer matrix method, and the hybrid finite element-statistical energy analysis method. These comparisons confirm the prediction accuracy of the proposed method and the computational efficiency against the conventional hybrid finite element-statistical energy analysis method.

A coupled/uncoupled deformation and fatigue damage algorithm utilizing the finite element method

NASA Technical Reports Server (NTRS)

Wilt, Thomas E.; Arnold, Steven M.

1994-01-01

A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum based fatigue damage model for unidirectional metal matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress which fully couples the fatigue damage calculations with the finite element deformation solution. An axisymmetric stress analysis was performed on a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. The composite core behavior was represented using Hill's anisotropic continuum based plasticity model, and similarly, the matrix cladding was represented by an isotropic plasticity model. Results are presented in the form of S-N curves and damage distribution plots.

Computation of scattering matrix elements of large and complex shaped absorbing particles with multilevel fast multipole algorithm

NASA Astrophysics Data System (ADS)

Wu, Yueqian; Yang, Minglin; Sheng, Xinqing; Ren, Kuan Fang

2015-05-01

Light scattering properties of absorbing particles, such as the mineral dusts, attract a wide attention due to its importance in geophysical and environment researches. Due to the absorbing effect, light scattering properties of particles with absorption differ from those without absorption. Simple shaped absorbing particles such as spheres and spheroids have been well studied with different methods but little work on large complex shaped particles has been reported. In this paper, the surface Integral Equation (SIE) with Multilevel Fast Multipole Algorithm (MLFMA) is applied to study scattering properties of large non-spherical absorbing particles. SIEs are carefully discretized with piecewise linear basis functions on triangle patches to model whole surface of the particle, hence computation resource needs increase much more slowly with the particle size parameter than the volume discretized methods. To improve further its capability, MLFMA is well parallelized with Message Passing Interface (MPI) on distributed memory computer platform. Without loss of generality, we choose the computation of scattering matrix elements of absorbing dust particles as an example. The comparison of the scattering matrix elements computed by our method and the discrete dipole approximation method (DDA) for an ellipsoid dust particle shows that the precision of our method is very good. The scattering matrix elements of large ellipsoid dusts with different aspect ratios and size parameters are computed. To show the capability of the presented algorithm for complex shaped particles, scattering by asymmetry Chebyshev particle with size parameter larger than 600 of complex refractive index m = 1.555 + 0.004 i and different orientations are studied.

Performance analysis of structured gradient algorithm. [for adaptive beamforming linear arrays

NASA Technical Reports Server (NTRS)

Godara, Lal C.

1990-01-01

The structured gradient algorithm uses a structured estimate of the array correlation matrix (ACM) to estimate the gradient required for the constrained least-mean-square (LMS) algorithm. This structure reflects the structure of the exact array correlation matrix for an equispaced linear array and is obtained by spatial averaging of the elements of the noisy correlation matrix. In its standard form the LMS algorithm does not exploit the structure of the array correlation matrix. The gradient is estimated by multiplying the array output with the receiver outputs. An analysis of the two algorithms is presented to show that the covariance of the gradient estimated by the structured method is less sensitive to the look direction signal than that estimated by the standard method. The effect of the number of elements on the signal sensitivity of the two algorithms is studied.

Matrix-Assisted Plasma Atomization Emission Spectrometry for Surface Sampling Elemental Analysis

PubMed Central

Yuan, Xin; Zhan, Xuefang; Li, Xuemei; Zhao, Zhongjun; Duan, Yixiang

2016-01-01

An innovative technology has been developed involving a simple and sensitive optical spectrometric method termed matrix-assisted plasma atomization emission spectrometry (MAPAES) for surface sampling elemental analysis using a piece of filter paper (FP) for sample introduction. MAPAES was carried out by direct interaction of the plasma tail plume with the matrix surface. The FP absorbs energy from the plasma source and releases combustion heating to the analytes originally present on its surface, thus to promote the atomization and excitation process. The matrix-assisted plasma atomization excitation phenomenon was observed for multiple elements. The FP matrix served as the partial energy producer and also the sample substrate to adsorb sample solution. Qualitative and quantitative determinations of metal ions were achieved by atomic emission measurements for elements Ba, Cu, Eu, In, Mn, Ni, Rh and Y. The detection limits were down to pg level with linear correlation coefficients better than 0.99. The proposed MAPAES provides a new way for atomic spectrometry which offers advantages of fast analysis speed, little sample consumption, less sample pretreatment, small size, and cost-effective. PMID:26762972

Direct determination of trace refractory elements in human serum by ETV-ICP-MS with in-situ matrix removal.

PubMed

Li, Shengqing; Hu, Bin; Jiang, Zucheng; Chen, Rui

2004-08-01

A method for in-situ removal of matrix is proposed for direct determination of trace refractory elements in human serum by ETV-ICP-MS with the use of poly(tetrafluoroethylene) (PTFE) as fluorinating reagent. Attention has been paid to investigating the vaporization behavior both of refractory elements of interest and of matrix elements (Na, K, Ca, Mg, Cl, S, and P) in a graphite furnace with the PTFE modifier present or not. It was shown that potential interferences from the organic and inorganic matrices in the serum sample could be eliminated or reduced to a negligible level by appropriate dilution of the serum and deliberate optimization of the ETV temperature program. The proposed method has been applied to the direct simultaneous determination of V, Cr, Mo, Ba, La, Ce, and W in human serum. The limits of detection for fivefold diluted serum were 0.18 (V), 0.229 (Cr), 0.050 (Mo), 0.328 (Ba), 0.031 (La), 0.038 (Ce), and 0.019 ng mL(-1) (W), respectively, and the relative standard deviations of the method were in the range 4-15% (2 ng mL(-1) in serum, n=3).

Accuracy and speed in computing the Chebyshev collocation derivative

NASA Technical Reports Server (NTRS)

Don, Wai-Sun; Solomonoff, Alex

1991-01-01

We studied several algorithms for computing the Chebyshev spectral derivative and compare their roundoff error. For a large number of collocation points, the elements of the Chebyshev differentiation matrix, if constructed in the usual way, are not computed accurately. A subtle cause is is found to account for the poor accuracy when computing the derivative by the matrix-vector multiplication method. Methods for accurately computing the elements of the matrix are presented, and we find that if the entities of the matrix are computed accurately, the roundoff error of the matrix-vector multiplication is as small as that of the transform-recursion algorithm. Results of CPU time usage are shown for several different algorithms for computing the derivative by the Chebyshev collocation method for a wide variety of two-dimensional grid sizes on both an IBM and a Cray 2 computer. We found that which algorithm is fastest on a particular machine depends not only on the grid size, but also on small details of the computer hardware as well. For most practical grid sizes used in computation, the even-odd decomposition algorithm is found to be faster than the transform-recursion method.

On the use of finite difference matrix-vector products in Newton-Krylov solvers for implicit climate dynamics with spectral elements

DOE PAGES

Woodward, Carol S.; Gardner, David J.; Evans, Katherine J.

2015-01-01

Efficient solutions of global climate models require effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a step size governed by accuracy of the processes of interest rather than by stability of the fastest time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton's method is applied to solve these systems. Each iteration of the Newton's method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but thismore » Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite difference approximation which may introduce inaccuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite difference approximations of these matrix-vector products for climate dynamics within the spectral element shallow water dynamical core of the Community Atmosphere Model.« less

Solid-perforated panel layout optimization by topology optimization based on unified transfer matrix.

PubMed

Kim, Yoon Jae; Kim, Yoon Young

2010-10-01

This paper presents a numerical method for the optimization of the sequencing of solid panels, perforated panels and air gaps and their respective thickness for maximizing sound transmission loss and/or absorption. For the optimization, a method based on the topology optimization formulation is proposed. It is difficult to employ only the commonly-used material interpolation technique because the involved layers exhibit fundamentally different acoustic behavior. Thus, an optimization method formulation using a so-called unified transfer matrix is newly proposed. The key idea is to form elements of the transfer matrix such that interpolated elements by the layer design variables can be those of air, perforated and solid panel layers. The problem related to the interpolation is addressed and bench mark-type problems such as sound transmission or absorption maximization problems are solved to check the efficiency of the developed method.

Efficient sparse matrix-matrix multiplication for computing periodic responses by shooting method on Intel Xeon Phi

NASA Astrophysics Data System (ADS)

Stoykov, S.; Atanassov, E.; Margenov, S.

2016-10-01

Many of the scientific applications involve sparse or dense matrix operations, such as solving linear systems, matrix-matrix products, eigensolvers, etc. In what concerns structural nonlinear dynamics, the computations of periodic responses and the determination of stability of the solution are of primary interest. Shooting method iswidely used for obtaining periodic responses of nonlinear systems. The method involves simultaneously operations with sparse and dense matrices. One of the computationally expensive operations in the method is multiplication of sparse by dense matrices. In the current work, a new algorithm for sparse matrix by dense matrix products is presented. The algorithm takes into account the structure of the sparse matrix, which is obtained by space discretization of the nonlinear Mindlin's plate equation of motion by the finite element method. The algorithm is developed to use the vector engine of Intel Xeon Phi coprocessors. It is compared with the standard sparse matrix by dense matrix algorithm and the one developed by Intel MKL and it is shown that by considering the properties of the sparse matrix better algorithms can be developed.

Hybrid transfer-matrix FDTD method for layered periodic structures.

PubMed

Deinega, Alexei; Belousov, Sergei; Valuev, Ilya

2009-03-15

A hybrid transfer-matrix finite-difference time-domain (FDTD) method is proposed for modeling the optical properties of finite-width planar periodic structures. This method can also be applied for calculation of the photonic bands in infinite photonic crystals. We describe the procedure of evaluating the transfer-matrix elements by a special numerical FDTD simulation. The accuracy of the new method is tested by comparing computed transmission spectra of a 32-layered photonic crystal composed of spherical or ellipsoidal scatterers with the results of direct FDTD and layer-multiple-scattering calculations.

Chromatographic-ICPMS methods for trace element and isotope analysis of water and biogenic calcite

NASA Astrophysics Data System (ADS)

Klinkhammer, G. P.; Haley, B. A.; McManus, J.; Palmer, M. R.

2003-04-01

ICP-MS is a powerful technique because of its sensitivity and speed of analysis. This is especially true for refractory elements that are notoriously difficult using TIMS and less energetic techniques. However, as ICP-MS instruments become more sensitive to elements of interest they also become more sensitive to interference. This becomes a pressing issue when analyzing samples with high total dissolved solids. This paper describes two trace element methods that overcome these problems by using chromatographic techniques to precondition samples prior to analysis by ICP-MS: separation of rare earth elements (REEs) from seawater using HPLC-ICPMS, and flow-through dissolution of foraminiferal calcite. Using HPLC in combination with ICP-MS it is possible to isolate the REEs from matrix, other transition elements, and each other. This method has been developed for small volume samples (5ml) making it possible to analyze sediment pore waters. As another example, subjecting foram shells to flow-through reagent addition followed by time-resolved analysis in the ICP-MS allows for systematic cleaning and dissolution of foram shells. This method provides information about the relationship between dissolution tendency and elemental composition. Flow-through is also amenable to automation thus yielding the high sample throughput required for paleoceanography, and produces a highly resolved elemental matrix that can be statistically analyzed.

Chosen interval methods for solving linear interval systems with special type of matrix

NASA Astrophysics Data System (ADS)

Szyszka, Barbara

2013-10-01

The paper is devoted to chosen direct interval methods for solving linear interval systems with special type of matrix. This kind of matrix: band matrix with a parameter, from finite difference problem is obtained. Such linear systems occur while solving one dimensional wave equation (Partial Differential Equations of hyperbolic type) by using the central difference interval method of the second order. Interval methods are constructed so as the errors of method are enclosed in obtained results, therefore presented linear interval systems contain elements that determining the errors of difference method. The chosen direct algorithms have been applied for solving linear systems because they have no errors of method. All calculations were performed in floating-point interval arithmetic.

A Galleria Boundary Element Method for two-dimensional nonlinear magnetostatics

NASA Astrophysics Data System (ADS)

Brovont, Aaron D.

The Boundary Element Method (BEM) is a numerical technique for solving partial differential equations that is used broadly among the engineering disciplines. The main advantage of this method is that one needs only to mesh the boundary of a solution domain. A key drawback is the myriad of integrals that must be evaluated to populate the full system matrix. To this day these integrals have been evaluated using numerical quadrature. In this research, a Galerkin formulation of the BEM is derived and implemented to solve two-dimensional magnetostatic problems with a focus on accurate, rapid computation. To this end, exact, closed-form solutions have been derived for all the integrals comprising the system matrix as well as those required to compute fields in post-processing; the need for numerical integration has been eliminated. It is shown that calculation of the system matrix elements using analytical solutions is 15-20 times faster than with numerical integration of similar accuracy. Furthermore, through the example analysis of a c-core inductor, it is demonstrated that the present BEM formulation is a competitive alternative to the Finite Element Method (FEM) for linear magnetostatic analysis. Finally, the BEM formulation is extended to analyze nonlinear magnetostatic problems via the Dual Reciprocity Method (DRBEM). It is shown that a coarse, meshless analysis using the DRBEM is able to achieve RMS error of 3-6% compared to a commercial FEM package in lightly saturated conditions.

Computational Study of Electron-Molecule Collisions Related to Low-Temperature Plasmas.

NASA Astrophysics Data System (ADS)

Huo, Winifred M.

1997-10-01

Computational study of electron-molecule collisions not only complements experimental measurements, but can also be used to investigate processes not readily accessible experimentally. A number of ab initio computational methods are available for this type of calculations. Here we describe a recently developed technique, the finite element Z-matrix method. Analogous to the R-matrix method, it partitions the space into regions and employs real matrix elements. However, unlike the implementation of the R-matrix method commonly used in atomic and molecular physics,(C. J. Gillan, J. Tennyson, and P. G. Burke, Chapter 10 in Computational Methods for Electron-Molecule Collisions), W. M. Huo and F. A. Gianturco, Editors, Plenum, New York (1995), p. 239. the Z-matrix method is fully variational.(D. Brown and J. C. Light, J. Chem. Phys. 101), 3723 (1994). In the present implementation, a mixed basis of finite elements and Gaussians is used to represent the continuum electron, thus offering full flexibility without imposing fixed boundary conditions. Numerical examples include the electron-impact dissociation of N2 via the metastable A^3Σ_u^+ state, a process which may be important in the lower thermosphere, and the dissociation of the CF radical, a process of interest to plasma etching. To understand the dissociation pathways, large scale quantum chemical calculations have been carried out for all target states which dissociate to the lowest five limits in the case of N_2, and to the lowest two limits in the case of CF. For N_2, the structural calculations clearly show the preference for predissociation if the initial state is the ground X^1Σ_g^+ state, but direct dissociation appears to be preferable if the initial state is the A^3Σ_u^+ state. Multi-configuration SCF target functions are used in the collisional calculation,

A finite volume method for trace element diffusion and partitioning during crystal growth

NASA Astrophysics Data System (ADS)

Hesse, Marc A.

2012-09-01

A finite volume method on a uniform grid is presented to compute the polythermal diffusion and partitioning of a trace element during the growth of a porphyroblast crystal in a uniform matrix and in linear, cylindrical and spherical geometry. The motion of the crystal-matrix interface and the thermal evolution are prescribed functions of time. The motion of the interface is discretized and it advances from one cell boundary to next as the prescribed interface position passes the cell center. The appropriate conditions for the flux across the crystal-matrix interface are derived from discrete mass conservation. Numerical results are benchmarked against steady and transient analytic solutions for isothermal diffusion with partitioning and growth. Two applications illustrate the ability of the model to reproduce observed rare-earth element patterns in garnets (Skora et al., 2006) and water concentration profiles around spherulites in obsidian (Watkins et al., 2009). Simulations with diffusion inside the growing crystal show complex concentration evolutions for trace elements with high diffusion coefficients, such as argon or hydrogen, but demonstrate that rare-earth element concentrations in typical metamorphic garnets are not affected by intracrystalline diffusion.

Element analysis and calculation of the attenuation coefficients for gold, bronze and water matrixes using MCNP, WinXCom and experimental data

NASA Astrophysics Data System (ADS)

Esfandiari, M.; Shirmardi, S. P.; Medhat, M. E.

2014-06-01

In this study, element analysis and the mass attenuation coefficient for matrixes of gold, bronze and water with various impurities and the concentrations of heavy metals (Cu, Mn, Pb and Zn) are evaluated and calculated by the MCNP simulation code for photons emitted from Barium-133, Americium-241 and sources with energies between 1 and 100 keV. The MCNP data are compared with the experimental data and WinXCom code simulated results by Medhat. The results showed that the obtained results of bronze and gold matrix are in good agreement with the other methods for energies above 40 and 60 keV, respectively. However for water matrixes with various impurities, there is a good agreement between the three methods MCNP, WinXCom and the experimental one in low and high energies.

Inelastic response of metal matrix composites under biaxial loading

NASA Technical Reports Server (NTRS)

Lissenden, C. J.; Mirzadeh, F.; Pindera, M.-J.; Herakovich, C. T.

1991-01-01

Theoretical predictions and experimental results were obtained for inelastic response of unidirectional and angle ply composite tubes subjected to axial and torsional loading. The composite material consist of silicon carbide fibers in a titanium alloy matrix. This material is known to be susceptible to fiber matrix interfacial damage. A method to distinguish between matrix yielding and fiber matrix interfacial damage is suggested. Biaxial tests were conducted on the two different layup configurations using an MTS Axial/Torsional load frame with a PC based data acquisition system. The experimentally determined elastic moduli of the SiC/Ti system are compared with those predicted by a micromechanics model. The test results indicate that fiber matrix interfacial damage occurs at relatively low load levels and is a local phenomenon. The micromechanics model used is the method of cells originally proposed by Aboudi. Finite element models using the ABACUS finite element program were used to study end effects and fixture specimen interactions. The results to date have shown good correlation between theory and experiment for response prior to damage initiation.

Determination of impurities in uranium matrices by time-of-flight ICP-MS using matrix-matched method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buerger, Stefan; Riciputi, Lee R; Bostick, Debra A

2007-01-01

The analysis of impurities in uranium matrices is performed in a variety of fields, e.g. for quality control in the production stream converting uranium ores to fuels, as element signatures in nuclear forensics and safeguards, and for non-proliferation control. We have investigated the capabilities of time-of-flight ICP-MS for the analysis of impurities in uranium matrices using a matrix-matched method. The method was applied to the New Brunswick Laboratory CRM 124(1-7) series. For the seven certified reference materials, an overall precision and accuracy of approximately 5% and 14%, respectively, were obtained for 18 analyzed elements.

Application of symbolic/numeric matrix solution techniques to the NASTRAN program

NASA Technical Reports Server (NTRS)

Buturla, E. M.; Burroughs, S. H.

1977-01-01

The matrix solving algorithm of any finite element algorithm is extremely important since solution of the matrix equations requires a large amount of elapse time due to null calculations and excessive input/output operations. An alternate method of solving the matrix equations is presented. A symbolic processing step followed by numeric solution yields the solution very rapidly and is especially useful for nonlinear problems.

Probabilistic homogenization of random composite with ellipsoidal particle reinforcement by the iterative stochastic finite element method

NASA Astrophysics Data System (ADS)

Sokołowski, Damian; Kamiński, Marcin

2018-01-01

This study proposes a framework for determination of basic probabilistic characteristics of the orthotropic homogenized elastic properties of the periodic composite reinforced with ellipsoidal particles and a high stiffness contrast between the reinforcement and the matrix. Homogenization problem, solved by the Iterative Stochastic Finite Element Method (ISFEM) is implemented according to the stochastic perturbation, Monte Carlo simulation and semi-analytical techniques with the use of cubic Representative Volume Element (RVE) of this composite containing single particle. The given input Gaussian random variable is Young modulus of the matrix, while 3D homogenization scheme is based on numerical determination of the strain energy of the RVE under uniform unit stretches carried out in the FEM system ABAQUS. The entire series of several deterministic solutions with varying Young modulus of the matrix serves for the Weighted Least Squares Method (WLSM) recovery of polynomial response functions finally used in stochastic Taylor expansions inherent for the ISFEM. A numerical example consists of the High Density Polyurethane (HDPU) reinforced with the Carbon Black particle. It is numerically investigated (1) if the resulting homogenized characteristics are also Gaussian and (2) how the uncertainty in matrix Young modulus affects the effective stiffness tensor components and their PDF (Probability Density Function).

An extension of the finite cell method using boolean operations

NASA Astrophysics Data System (ADS)

Abedian, Alireza; Düster, Alexander

2017-05-01

In the finite cell method, the fictitious domain approach is combined with high-order finite elements. The geometry of the problem is taken into account by integrating the finite cell formulation over the physical domain to obtain the corresponding stiffness matrix and load vector. In this contribution, an extension of the FCM is presented wherein both the physical and fictitious domain of an element are simultaneously evaluated during the integration. In the proposed extension of the finite cell method, the contribution of the stiffness matrix over the fictitious domain is subtracted from the cell, resulting in the desired stiffness matrix which reflects the contribution of the physical domain only. This method results in an exponential rate of convergence for porous domain problems with a smooth solution and accurate integration. In addition, it reduces the computational cost, especially when applying adaptive integration schemes based on the quadtree/octree. Based on 2D and 3D problems of linear elastostatics, numerical examples serve to demonstrate the efficiency and accuracy of the proposed method.

Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

NASA Astrophysics Data System (ADS)

Bubin, Sergiy; Adamowicz, Ludwik

2008-03-01

In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

PubMed

Bubin, Sergiy; Adamowicz, Ludwik

2008-03-21

In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

Fast time- and frequency-domain finite-element methods for electromagnetic analysis

NASA Astrophysics Data System (ADS)

Lee, Woochan

Fast electromagnetic analysis in time and frequency domain is of critical importance to the design of integrated circuits (IC) and other advanced engineering products and systems. Many IC structures constitute a very large scale problem in modeling and simulation, the size of which also continuously grows with the advancement of the processing technology. This results in numerical problems beyond the reach of existing most powerful computational resources. Different from many other engineering problems, the structure of most ICs is special in the sense that its geometry is of Manhattan type and its dielectrics are layered. Hence, it is important to develop structure-aware algorithms that take advantage of the structure specialties to speed up the computation. In addition, among existing time-domain methods, explicit methods can avoid solving a matrix equation. However, their time step is traditionally restricted by the space step for ensuring the stability of a time-domain simulation. Therefore, making explicit time-domain methods unconditionally stable is important to accelerate the computation. In addition to time-domain methods, frequency-domain methods have suffered from an indefinite system that makes an iterative solution difficult to converge fast. The first contribution of this work is a fast time-domain finite-element algorithm for the analysis and design of very large-scale on-chip circuits. The structure specialty of on-chip circuits such as Manhattan geometry and layered permittivity is preserved in the proposed algorithm. As a result, the large-scale matrix solution encountered in the 3-D circuit analysis is turned into a simple scaling of the solution of a small 1-D matrix, which can be obtained in linear (optimal) complexity with negligible cost. Furthermore, the time step size is not sacrificed, and the total number of time steps to be simulated is also significantly reduced, thus achieving a total cost reduction in CPU time. The second contribution is a new method for making an explicit time-domain finite-element method (TDFEM) unconditionally stable for general electromagnetic analysis. In this method, for a given time step, we find the unstable modes that are the root cause of instability, and deduct them directly from the system matrix resulting from a TDFEM based analysis. As a result, an explicit TDFEM simulation is made stable for an arbitrarily large time step irrespective of the space step. The third contribution is a new method for full-wave applications from low to very high frequencies in a TDFEM based on matrix exponential. In this method, we directly deduct the eigenmodes having large eigenvalues from the system matrix, thus achieving a significantly increased time step in the matrix exponential based TDFEM. The fourth contribution is a new method for transforming the indefinite system matrix of a frequency-domain FEM to a symmetric positive definite one. We deduct non-positive definite component directly from the system matrix resulting from a frequency-domain FEM-based analysis. The resulting new representation of the finite-element operator ensures an iterative solution to converge in a small number of iterations. We then add back the non-positive definite component to synthesize the original solution with negligible cost.

General MoM Solutions for Large Arrays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fasenfest, B; Capolino, F; Wilton, D R

2003-07-22

This paper focuses on a numerical procedure that addresses the difficulties of dealing with large, finite arrays while preserving the generality and robustness of full-wave methods. We present a fast method based on approximating interactions between sufficiently separated array elements via a relatively coarse interpolation of the Green's function on a uniform grid commensurate with the array's periodicity. The interaction between the basis and testing functions is reduced to a three-stage process. The first stage is a projection of standard (e.g., RWG) subdomain bases onto a set of interpolation functions that interpolate the Green's function on the array face. Thismore » projection, which is used in a matrix/vector product for each array cell in an iterative solution process, need only be carried out once for a single cell and results in a low-rank matrix. An intermediate stage matrix/vector product computation involving the uniformly sampled Green's function is of convolutional form in the lateral (transverse) directions so that a 2D FFT may be used. The final stage is a third matrix/vector product computation involving a matrix resulting from projecting testing functions onto the Green's function interpolation functions; the low-rank matrix is either identical to (using Galerkin's method) or similar to that for the bases projection. An effective MoM solution scheme is developed for large arrays using a modification of the AIM (Adaptive Integral Method) method. The method permits the analysis of arrays with arbitrary contours and nonplanar elements. Both fill and solve times within the MoM method are improved with respect to more standard MoM solvers.« less

Neutrinoless double-β decay of Se82 in the shell model: Beyond the closure approximation

NASA Astrophysics Data System (ADS)

Sen'kov, R. A.; Horoi, M.; Brown, B. A.

2014-05-01

We recently proposed a method [R. A. Senkov and M. Horoi, Phys. Rev. C 88, 064312 (2013), 10.1103/PhysRevC.88.064312] to calculate the standard nuclear matrix elements for neutrinoless double-β decay (0νββ) of Ca48 going beyond the closure approximation. Here we extend this analysis to the important case of Se82, which was chosen as the base isotope for the upcoming SuperNEMO experiment. We demonstrate that by using a mixed method that considers information from closure and nonclosure approaches, one can get excellent convergence properties for the nuclear matrix elements, which allows one to avoid unmanageable computational costs. We show that in contrast with the closure approximation the mixed approach has a very weak dependence on the average closure energy. The matrix elements for the heavy neutrino-exchange mechanism that could contribute to the 0νββ decay of Se82 are also presented.

Modeling and simulation of the debonding process of composite solid propellants

NASA Astrophysics Data System (ADS)

Feng, Tao; Xu, Jin-sheng; Han, Long; Chen, Xiong

2017-07-01

In order to study the damage evolution law of composite solid propellants, the molecular dynamics particle filled algorithm was used to establish the mesoscopic structure model of HTPB(Hydroxyl-terminated polybutadiene) propellants. The cohesive element method was employed for the adhesion interface between AP(Ammonium perchlorate) particle and HTPB matrix and the bilinear cohesive zone model was used to describe the mechanical response of the interface elements. The inversion analysis method based on Hooke-Jeeves optimization algorithm was employed to identify the parameters of cohesive zone model(CZM) of the particle/binder interface. Then, the optimized parameters were applied to the commercial finite element software ABAQUS to simulate the damage evolution process for AP particle and HTPB matrix, including the initiation, development, gathering and macroscopic crack. Finally, the stress-strain simulation curve was compared with the experiment curves. The result shows that the bilinear cohesive zone model can accurately describe the debonding and fracture process between the AP particles and HTPB matrix under the uniaxial tension loading.

A comparison of companion matrix methods to find roots of a trigonometric polynomial

NASA Astrophysics Data System (ADS)

Boyd, John P.

2013-08-01

A trigonometric polynomial is a truncated Fourier series of the form fN(t)≡∑j=0Naj cos(jt)+∑j=1N bj sin(jt). It has been previously shown by the author that zeros of such a polynomial can be computed as the eigenvalues of a companion matrix with elements which are complex valued combinations of the Fourier coefficients, the "CCM" method. However, previous work provided no examples, so one goal of this new work is to experimentally test the CCM method. A second goal is introduce a new alternative, the elimination/Chebyshev algorithm, and experimentally compare it with the CCM scheme. The elimination/Chebyshev matrix (ECM) algorithm yields a companion matrix with real-valued elements, albeit at the price of usefulness only for real roots. The new elimination scheme first converts the trigonometric rootfinding problem to a pair of polynomial equations in the variables (c,s) where c≡cos(t) and s≡sin(t). The elimination method next reduces the system to a single univariate polynomial P(c). We show that this same polynomial is the resultant of the system and is also a generator of the Groebner basis with lexicographic ordering for the system. Both methods give very high numerical accuracy for real-valued roots, typically at least 11 decimal places in Matlab/IEEE 754 16 digit floating point arithmetic. The CCM algorithm is typically one or two decimal places more accurate, though these differences disappear if the roots are "Newton-polished" by a single Newton's iteration. The complex-valued matrix is accurate for complex-valued roots, too, though accuracy decreases with the magnitude of the imaginary part of the root. The cost of both methods scales as O(N3) floating point operations. In spite of intimate connections of the elimination/Chebyshev scheme to two well-established technologies for solving systems of equations, resultants and Groebner bases, and the advantages of using only real-valued arithmetic to obtain a companion matrix with real-valued elements, the ECM algorithm is noticeably inferior to the complex-valued companion matrix in simplicity, ease of programming, and accuracy.

Matrix method for two-dimensional waveguide mode solution

NASA Astrophysics Data System (ADS)

Sun, Baoguang; Cai, Congzhong; Venkatesh, Balajee Seshasayee

2018-05-01

In this paper, we show that the transfer matrix theory of multilayer optics can be used to solve the modes of any two-dimensional (2D) waveguide for their effective indices and field distributions. A 2D waveguide, even composed of numerous layers, is essentially a multilayer stack and the transmission through the stack can be analysed using the transfer matrix theory. The result is a transfer matrix with four complex value elements, namely A, B, C and D. The effective index of a guided mode satisfies two conditions: (1) evanescent waves exist simultaneously in the first (cladding) layer and last (substrate) layer, and (2) the complex element D vanishes. For a given mode, the field distribution in the waveguide is the result of a 'folded' plane wave. In each layer, there is only propagation and absorption; at each boundary, only reflection and refraction occur, which can be calculated according to the Fresnel equations. As examples, we show that this method can be used to solve modes supported by the multilayer step-index dielectric waveguide, slot waveguide, gradient-index waveguide and various plasmonic waveguides. The results indicate the transfer matrix method is effective for 2D waveguide mode solution in general.

Combined group ECC protection and subgroup parity protection

DOEpatents

Gara, Alan G.; Chen, Dong; Heidelberger, Philip; Ohmacht, Martin

2013-06-18

A method and system are disclosed for providing combined error code protection and subgroup parity protection for a given group of n bits. The method comprises the steps of identifying a number, m, of redundant bits for said error protection; and constructing a matrix P, wherein multiplying said given group of n bits with P produces m redundant error correction code (ECC) protection bits, and two columns of P provide parity protection for subgroups of said given group of n bits. In the preferred embodiment of the invention, the matrix P is constructed by generating permutations of m bit wide vectors with three or more, but an odd number of, elements with value one and the other elements with value zero; and assigning said vectors to rows of the matrix P.

Transient analysis of 1D inhomogeneous media by dynamic inhomogeneous finite element method

NASA Astrophysics Data System (ADS)

Yang, Zailin; Wang, Yao; Hei, Baoping

2013-12-01

The dynamic inhomogeneous finite element method is studied for use in the transient analysis of onedimensional inhomogeneous media. The general formula of the inhomogeneous consistent mass matrix is established based on the shape function. In order to research the advantages of this method, it is compared with the general finite element method. A linear bar element is chosen for the discretization tests of material parameters with two fictitious distributions. And, a numerical example is solved to observe the differences in the results between these two methods. Some characteristics of the dynamic inhomogeneous finite element method that demonstrate its advantages are obtained through comparison with the general finite element method. It is found that the method can be used to solve elastic wave motion problems with a large element scale and a large number of iteration steps.

Technique for Solving Electrically Small to Large Structures for Broadband Applications

NASA Technical Reports Server (NTRS)

Jandhyala, Vikram; Chowdhury, Indranil

2011-01-01

Fast iterative algorithms are often used for solving Method of Moments (MoM) systems, having a large number of unknowns, to determine current distribution and other parameters. The most commonly used fast methods include the fast multipole method (FMM), the precorrected fast Fourier transform (PFFT), and low-rank QR compression methods. These methods reduce the O(N) memory and time requirements to O(N log N) by compressing the dense MoM system so as to exploit the physics of Green s Function interactions. FFT-based techniques for solving such problems are efficient for spacefilling and uniform structures, but their performance substantially degrades for non-uniformly distributed structures due to the inherent need to employ a uniform global grid. FMM or QR techniques are better suited than FFT techniques; however, neither the FMM nor the QR technique can be used at all frequencies. This method has been developed to efficiently solve for a desired parameter of a system or device that can include both electrically large FMM elements, and electrically small QR elements. The system or device is set up as an oct-tree structure that can include regions of both the FMM type and the QR type. The system is enclosed with a cube at a 0- th level, splitting the cube at the 0-th level into eight child cubes. This forms cubes at a 1st level, recursively repeating the splitting process for cubes at successive levels until a desired number of levels is created. For each cube that is thus formed, neighbor lists and interaction lists are maintained. An iterative solver is then used to determine a first matrix vector product for any electrically large elements as well as a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large and small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within the predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter. The solution for the desired parameter is then presented to a user in a tangible form; for example, on a display.

ICAN/PART: Particulate composite analyzer, user's manual and verification studies

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Murthy, Pappu L. N.; Mital, Subodh K.

1996-01-01

A methodology for predicting the equivalent properties and constituent microstresses for particulate matrix composites, based on the micromechanics approach, is developed. These equations are integrated into a computer code developed to predict the equivalent properties and microstresses of fiber reinforced polymer matrix composites to form a new computer code, ICAN/PART. Details of the flowchart, input and output for ICAN/PART are described, along with examples of the input and output. Only the differences between ICAN/PART and the original ICAN code are described in detail, and the user is assumed to be familiar with the structure and usage of the original ICAN code. Detailed verification studies, utilizing dim dimensional finite element and boundary element analyses, are conducted in order to verify that the micromechanics methodology accurately models the mechanics of particulate matrix composites. ne equivalent properties computed by ICAN/PART fall within bounds established by the finite element and boundary element results. Furthermore, constituent microstresses computed by ICAN/PART agree in average sense with results computed using the finite element method. The verification studies indicate that the micromechanics programmed into ICAN/PART do indeed accurately model the mechanics of particulate matrix composites.

The Matrix Element Method: Past, Present, and Future

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gainer, James S.; Lykken, Joseph; Matchev, Konstantin T.

2013-07-12

The increasing use of multivariate methods, and in particular the Matrix Element Method (MEM), represents a revolution in experimental particle physics. With continued exponential growth in computing capabilities, the use of sophisticated multivariate methods-- already common-- will soon become ubiquitous and ultimately almost compulsory. While the existence of sophisticated algorithms for disentangling signal and background might naively suggest a diminished role for theorists, the use of the MEM, with its inherent connection to the calculation of differential cross sections will benefit from collaboration between theorists and experimentalists. In this white paper, we will briefly describe the MEM and some ofmore » its recent uses, note some current issues and potential resolutions, and speculate about exciting future opportunities.« less

GPU-accelerated element-free reverse-time migration with Gauss points partition

NASA Astrophysics Data System (ADS)

Zhou, Zhen; Jia, Xiaofeng; Qiang, Xiaodong

2018-06-01

An element-free method (EFM) has been demonstrated successfully in elasticity, heat conduction and fatigue crack growth problems. We present the theory of EFM and its numerical applications in seismic modelling and reverse time migration (RTM). Compared with the finite difference method and the finite element method, the EFM has unique advantages: (1) independence of grids in computation and (2) lower expense and more flexibility (because only the information of the nodes and the boundary of the concerned area is required). However, in EFM, due to improper computation and storage of some large sparse matrices, such as the mass matrix and the stiffness matrix, the method is difficult to apply to seismic modelling and RTM for a large velocity model. To solve the problem of storage and computation efficiency, we propose a concept of Gauss points partition and utilise the graphics processing unit to improve the computational efficiency. We employ the compressed sparse row format to compress the intermediate large sparse matrices and attempt to simplify the operations by solving the linear equations with CULA solver. To improve the computation efficiency further, we introduce the concept of the lumped mass matrix. Numerical experiments indicate that the proposed method is accurate and more efficient than the regular EFM.

Multi-jet Merging with NLO Matrix Elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Siegert, Frank; /Freiburg U.; Hoche, Stefan

2011-08-18

In the algorithm presented here, the ME+PS approach to merge samples of tree-level matrix elements into inclusive event samples is combined with the POWHEG method, which includes exact next-to-leading order matrix elements in the parton shower. The advantages of the method are discussed and the quality of its implementation in SHERPA is exemplified by results for e{sup +}e{sup -} annihilation into hadrons at LEP, for deep-inelastic lepton-nucleon scattering at HERA, for Drell-Yan lepton-pair production at the Tevatron and for W{sup +}W{sup -}-production at LHC energies. The simulation of hard QCD radiation in parton-shower Monte Carlos has seen tremendous progress overmore » the last years. It was largely stimulated by the need for more precise predictions at LHC energies where the large available phase space allows additional hard QCD radiation alongside known Standard Model processes or even signals from new physics. Two types of algorithms have been developed, which allow to improve upon the soft-collinear approximations made in the parton shower, such that hard radiation is simulated according to exact matrix elements. In the ME+PS approach [1] higher-order tree-level matrix elements for different final-state jet multiplicity are merged with each other and with subsequent parton shower emissions to generate an inclusive sample. Such a prescription is invaluable for analyses which are sensitive to final states with a large jet multiplicity. The only remaining deficiency of such tree-level calculations is the large uncertainty stemming from scale variations. The POWHEG method [2] solves this problem for the lowest multiplicity subprocess by combining full NLO matrix elements with the parton shower. While this leads to NLO accuracy in the inclusive cross section and the exact radiation pattern for the first emission, it fails to describe higher-order emissions with improved accuracy. Thus it is not sufficient if final states with high jet multiplicities are considered. With the complementary advantages of these two approaches, the question arises naturally whether it would be possible to combine them into an even more powerful one. Such a combined algorithm was independently developed in [5] and [6]. Here a summary of the algorithm is given and predictions from corresponding Monte-Carlo predictions are presented.« less

Neutrinoless double-β decay of 48Ca in the shell model: Closure versus nonclosure approximation

NASA Astrophysics Data System (ADS)

Sen'kov, R. A.; Horoi, M.

2013-12-01

Neutrinoless double-β decay (0νββ) is a unique process that could reveal physics beyond the Standard Model. Essential ingredients in the analysis of 0νββ rates are the associated nuclear matrix elements. Most of the approaches used to calculate these matrix elements rely on the closure approximation. Here we analyze the light neutrino-exchange matrix elements of 48Ca 0νββ decay and test the closure approximation in a shell-model approach. We calculate the 0νββ nuclear matrix elements for 48Ca using both the closure approximation and a nonclosure approach, and we estimate the uncertainties associated with the closure approximation. We demonstrate that the nonclosure approach has excellent convergence properties which allow us to avoid unmanageable computational cost. Combining the nonclosure and closure approaches we propose a new method of calculation for 0νββ decay rates which can be applied to the 0νββ decay rates of heavy nuclei, such as 76Ge or 82Se.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Briceno, Raul A.; Hansen, Maxwell T.; Monahan, Christopher J.

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate thatmore » the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Lastly, we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.« less

An efficient approach to CI: General matrix element formulas for spin-coupled particle-hole excitations

NASA Astrophysics Data System (ADS)

Tavan, Paul; Schulten, Klaus

1980-03-01

A new, efficient algorithm for the evaluation of the matrix elements of the CI Hamiltonian in the basis of spin-coupled ν-fold excitations (over orthonormal orbitals) is developed for even electron systems. For this purpose we construct an orthonormal, spin-adapted CI basis in the framework of second quantization. As a prerequisite, spin and space parts of the fermion operators have to be separated; this makes it possible to introduce the representation theory of the permutation group. The ν-fold excitation operators are Serber spin-coupled products of particle-hole excitations. This construction is also designed for CI calculations from multireference (open-shell) states. The 2N-electron Hamiltonian is expanded in terms of spin-coupled particle-hole operators which map any ν-fold excitation on ν-, and ν±1-, and ν±2-fold excitations. For the calculation of the CI matrix this leaves one with only the evaluation of overlap matrix elements between spin-coupled excitations. This leads to a set of ten general matrix element formulas which contain Serber representation matrices of the permutation group Sν×Sν as parameters. Because of the Serber structure of the CI basis these group-theoretical parameters are kept to a minimum such that they can be stored readily in the central memory of a computer for ν?4 and even for higher excitations. As the computational effort required to obtain the CI matrix elements from the general formulas is very small, the algorithm presented appears to constitute for even electron systems a promising alternative to existing CI methods for multiply excited configurations, e.g., the unitary group approach. Our method makes possible the adaptation of spatial symmetries and the selection of any subset of configurations. The algorithm has been implemented in a computer program and tested extensively for ν?4 and singlet ground and excited states.

Linear and nonlinear dynamic analysis of redundant load path bearingless rotor systems

NASA Technical Reports Server (NTRS)

Murthy, V. R.

1985-01-01

The bearingless rotorcraft offers reduced weight, less complexity and superior flying qualities. Almost all the current industrial structural dynamic programs of conventional rotors which consist of single load path rotor blades employ the transfer matrix method to determine natural vibration characteristics because this method is ideally suited for one dimensional chain like structures. This method is extended to multiple load path rotor blades without resorting to an equivalent single load path approximation. Unlike the conventional blades, it isk necessary to introduce the axial-degree-of-freedom into the solution process to account for the differential axial displacements in the different load paths. With the present extension, the current rotor dynamic programs can be modified with relative ease to account for the multiple load paths without resorting to the equivalent single load path modeling. The results obtained by the transfer matrix method are validated by comparing with the finite element solutions. A differential stiffness matrix due to blade rotation is derived to facilitate the finite element solutions.

Krylov subspace iterative methods for boundary element method based near-field acoustic holography.

PubMed

Valdivia, Nicolas; Williams, Earl G

2005-02-01

The reconstruction of the acoustic field for general surfaces is obtained from the solution of a matrix system that results from a boundary integral equation discretized using boundary element methods. The solution to the resultant matrix system is obtained using iterative regularization methods that counteract the effect of noise on the measurements. These methods will not require the calculation of the singular value decomposition, which can be expensive when the matrix system is considerably large. Krylov subspace methods are iterative methods that have the phenomena known as "semi-convergence," i.e., the optimal regularization solution is obtained after a few iterations. If the iteration is not stopped, the method converges to a solution that generally is totally corrupted by errors on the measurements. For these methods the number of iterations play the role of the regularization parameter. We will focus our attention to the study of the regularizing properties from the Krylov subspace methods like conjugate gradients, least squares QR and the recently proposed Hybrid method. A discussion and comparison of the available stopping rules will be included. A vibrating plate is considered as an example to validate our results.

$$B^0_{(s)}$$-mixing matrix elements from lattice QCD for the Standard Model and beyond

DOE PAGES

Bazavov, A.; Bernard, C.; Bouchard, C. M.; ...

2016-06-28

We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B 0- and B s-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B-meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ=1.206(18)(6), where themore » second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B-meson oscillation frequencies to determine the CKM matrix elements |V td| = 8.00(34)(8)×10 -3, |V ts| = 39.0(1.2)(0.4)×10 -3, and |V td/V ts| = 0.2052(31)(10), which differ from CKM-unitarity expectations by about 2σ. In addition, these results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.« less

Simulation of irradiation hardening of Zircaloy within plate-type dispersion nuclear fuel elements

NASA Astrophysics Data System (ADS)

Jiang, Yijie; Wang, Qiming; Cui, Yi; Huo, Yongzhong; Ding, Shurong

2011-06-01

Within plate-type dispersion nuclear fuel elements, the metal matrix and cladding attacked continuously by fast neutrons undergo irradiation hardening, which might have remarkable effects upon the mechanical behaviors within fuel elements. In this paper, with the irradiation hardening effect of metal materials mainly considered together with irradiation growth effect of the cladding, the three-dimensional large-deformation constitutive relations for the metal matrix and cladding are developed. The method of virtual temperature increase in the previous studies is further developed to model the irradiation swelling of fuel particles; the method of anisotropic thermal expansion is introduced to model irradiation growth of the cladding; and a method of multi-step-temperature loading is proposed to simulate the coupling features of irradiation-induced swelling of the fuel particles together with irradiation growth of the cladding. Above all, based on the developed relationship between irradiation growth at certain burnup and the loaded virtual temperatures, with considering that certain burnup corresponds to certain fast neutron fluence, the time-dependent constitutive relation due to irradiation hardening effect is replaced by the virtual-temperature-dependent one which is introduced into the commercial software to simulate the irradiation hardening effects of the matrix and cladding. Numerical simulations of the irradiation-induced mechanical behaviors are implemented with the finite element method in consideration of the micro-structure of the fuel meat. The obtained results indicate that when the irradiation hardening effects are introduced into the constitutive relations of the metal matrix and cladding: (1) higher maximum Mises stresses for certain burnup at the matrix exist with the equivalent plastic strains remaining almost the same at lower burnups; (2) the maximum Mises stresses for certain burnup at the cladding are enhanced while the maximum equivalent plastic strains are reduced; and (3) the maximum first principal stresses for certain burnup at the matrix or the cladding are lower than the ones without the hardening effect, and the differences are found to increase with burnup; and the variation rules of the interfacial stresses are similar.

The free and forced vibrations of structures using the finite dynamic element method. Ph.D. Thesis, Aug. 1991 Final Report

NASA Technical Reports Server (NTRS)

Fergusson, Neil J.

1992-01-01

In addition to an extensive review of the literature on exact and corrective displacement based methods of vibration analysis, a few theorems are proven concerning the various structural matrices involved in such analyses. In particular, the consistent mass matrix and the quasi-static mass matrix are shown to be equivalent, in the sense that the terms in their respective Taylor expansions are proportional to one another, and that they both lead to the same dynamic stiffness matrix when used with the appropriate stiffness matrix.

NUCLEAR REACTOR FUEL ELEMENT AND METHOD OF MANUFACTURE

DOEpatents

Brooks, H.

1960-04-26

A description is given for a fuel element comprising a body of uranium metal or an uranium compound dispersed in a matrix material made from magnesium, calcium, or barium and a stainless steel jacket enclosing the body.

A multi-element screening method to identify metal targets for blood biomonitoring in green sea turtles (Chelonia mydas).

PubMed

Villa, C A; Finlayson, S; Limpus, C; Gaus, C

2015-04-15

Biomonitoring of blood is commonly used to identify and quantify occupational or environmental exposure to chemical contaminants. Increasingly, this technique has been applied to wildlife contaminant monitoring, including for green turtles, allowing for the non-lethal evaluation of chemical exposure in their nearshore environment. The sources, composition, bioavailability and toxicity of metals in the marine environment are, however, often unknown and influenced by numerous biotic and abiotic factors. These factors can vary considerably across time and space making the selection of the most informative elements for biomonitoring challenging. This study aimed to validate an ICP-MS multi-element screening method for green turtle blood in order to identify and facilitate prioritisation of target metals for subsequent fully quantitative analysis. Multi-element screening provided semiquantitative results for 70 elements, 28 of which were also determined through fully quantitative analysis. Of the 28 comparable elements, 23 of the semiquantitative results had an accuracy between 67% and 112% relative to the fully quantified values. In lieu of any available turtle certified reference materials (CRMs), we evaluated the use of human blood CRMs as a matrix surrogate for quality control, and compared two commonly used sample preparation methods for matrix related effects. The results demonstrate that human blood provides an appropriate matrix for use as a quality control material in the fully quantitative analysis of metals in turtle blood. An example for the application of this screening method is provided by comparing screening results from blood of green turtles foraging in an urban and rural region in Queensland, Australia. Potential targets for future metal biomonitoring in these regions were identified by this approach. Copyright © 2014 Elsevier B.V. All rights reserved.

Comparison of Analytical Methods for the Determination of Uranium in Seawater Using Inductively Coupled Plasma Mass Spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wood, Jordana R.; Gill, Gary A.; Kuo, Li-Jung

2016-04-20

Trace element determinations in seawater by inductively coupled plasma mass spectrometry are analytically challenging due to the typically very low concentrations of the trace elements and the potential interference of the salt matrix. In this study, we did a comparison for uranium analysis using inductively coupled plasma mass spectrometry (ICP-MS) of Sequim Bay seawater samples and three seawater certified reference materials (SLEW-3, CASS-5 and NASS-6) using seven different analytical approaches. The methods evaluated include: direct analysis, Fe/Pd reductive precipitation, standard addition calibration, online automated dilution using an external calibration with and without matrix matching, and online automated pre-concentration. The methodmore » which produced the most accurate results was the method of standard addition calibration, recovering uranium from a Sequim Bay seawater sample at 101 ± 1.2%. The on-line preconcentration method and the automated dilution with matrix-matched calibration method also performed well. The two least effective methods were the direct analysis and the Fe/Pd reductive precipitation using sodium borohydride« less

Energy Dissipation of Rayleigh Waves due to Absorption Along the Path by the Use of Finite Element Method

DTIC Science & Technology

1979-07-31

3 x 3 t Strain vector a ij,j Space derivative of the stress tensor Fi Force vector per unit volume o Density x CHAPTER III F Total force K Stiffness...matrix 6Vector displacements M Mass matrix B Space operating matrix DO Matrix moduli 2 x 3 DZ Operating matrix in Z direction N Matrix of shape...dissipating medium the deformation of a solid is a function of time, temperature and space . Creep phenomenon is a deformation process in which there is

Analysis of Rare Earth Elements in Uranium Using Handheld Laser-Induced Breakdown Spectroscopy (HH LIBS)

DOE PAGES

Manard, Benjamin T.; Wylie, E. Miller; Willson, Stephen P.

2018-05-22

In this paper, a portable handheld laser-induced breakdown spectroscopy (HH LIBS) instrument was evaluated as a rapid method to qualitatively analyze rare earth elements in a uranium oxide matrix. This research is motivated by the need for development of a method to perform rapid, at-line chemical analysis in a nuclear facility, particularly to provide a rapid first pass analysis to determine if additional actions or measurements are warranted. This will result in the minimization of handling and transport of radiological and nuclear material and subsequent exposure to their associated hazards. In this work, rare earth elements (Eu, Nd, and Yb)more » were quantitatively spiked into a uranium oxide powder and analyzed by the HH LIBS instrumentation. This method demonstrates the ability to rapidly identify elemental constituents in sub-percent levels in a uranium matrix. Preliminary limits of detection (LODs) were determined with values on the order of hundredths of a percent. Validity of this methodology was explored by employing a National Institute of Standards and Technology (NIST) standard reference materials (SRM) 610 and 612 (Trace Elements in Glass). Finally, it was determined that the HH LIBS method was able to clearly discern the rare earths elements of interest in the glass or uranium matrices.« less

Analysis of Rare Earth Elements in Uranium Using Handheld Laser-Induced Breakdown Spectroscopy (HH LIBS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manard, Benjamin T.; Wylie, E. Miller; Willson, Stephen P.

In this paper, a portable handheld laser-induced breakdown spectroscopy (HH LIBS) instrument was evaluated as a rapid method to qualitatively analyze rare earth elements in a uranium oxide matrix. This research is motivated by the need for development of a method to perform rapid, at-line chemical analysis in a nuclear facility, particularly to provide a rapid first pass analysis to determine if additional actions or measurements are warranted. This will result in the minimization of handling and transport of radiological and nuclear material and subsequent exposure to their associated hazards. In this work, rare earth elements (Eu, Nd, and Yb)more » were quantitatively spiked into a uranium oxide powder and analyzed by the HH LIBS instrumentation. This method demonstrates the ability to rapidly identify elemental constituents in sub-percent levels in a uranium matrix. Preliminary limits of detection (LODs) were determined with values on the order of hundredths of a percent. Validity of this methodology was explored by employing a National Institute of Standards and Technology (NIST) standard reference materials (SRM) 610 and 612 (Trace Elements in Glass). Finally, it was determined that the HH LIBS method was able to clearly discern the rare earths elements of interest in the glass or uranium matrices.« less

Analysis of Rare Earth Elements in Uranium Using Handheld Laser-Induced Breakdown Spectroscopy (HH LIBS).

PubMed

Manard, Benjamin T; Wylie, E Miller; Willson, Stephen P

2018-01-01

A portable handheld laser-induced breakdown spectroscopy (HH LIBS) instrument was evaluated as a rapid method to qualitatively analyze rare earth elements in a uranium oxide matrix. This research is motivated by the need for development of a method to perform rapid, at-line chemical analysis in a nuclear facility, particularly to provide a rapid first pass analysis to determine if additional actions or measurements are warranted. This will result in the minimization of handling and transport of radiological and nuclear material and subsequent exposure to their associated hazards. In this work, rare earth elements (Eu, Nd, and Yb) were quantitatively spiked into a uranium oxide powder and analyzed by the HH LIBS instrumentation. This method demonstrates the ability to rapidly identify elemental constituents in sub-percent levels in a uranium matrix. Preliminary limits of detection (LODs) were determined with values on the order of hundredths of a percent. Validity of this methodology was explored by employing a National Institute of Standards and Technology (NIST) standard reference materials (SRM) 610 and 612 (Trace Elements in Glass). It was determined that the HH LIBS method was able to clearly discern the rare earths elements of interest in the glass or uranium matrices.

First Human Brain Imaging by the jPET-D4 Prototype With a Pre-Computed System Matrix

NASA Astrophysics Data System (ADS)

Yamaya, Taiga; Yoshida, Eiji; Obi, Takashi; Ito, Hiroshi; Yoshikawa, Kyosan; Murayama, Hideo

2008-10-01

The jPET-D4 is a novel brain PET scanner which aims to achieve not only high spatial resolution but also high scanner sensitivity by using 4-layer depth-of-interaction (DOI) information. The dimensions of a system matrix for the jPET-D4 are 3.3 billion (lines-of-response) times 5 million (image elements) when a standard field-of-view (FOV) of 25 cm diameter is sampled with a (1.5 mm)3 voxel . The size of the system matrix is estimated as 117 petabytes (PB) with the accuracy of 8 bytes per element. An on-the-fly calculation is usually used to deal with such a huge system matrix. However we cannot avoid extension of the calculation time when we improve the accuracy of system modeling. In this work, we implemented an alternative approach based on pre-calculation of the system matrix. A histogram-based 3D OS-EM algorithm was implemented on a desktop workstation with 32 GB memory installed. The 117 PB system matrix was compressed under the limited amount of computer memory by (1) eliminating zero elements, (2) applying the DOI compression (DOIC) method and (3) applying rotational symmetry and an axial shift property of the crystal arrangement. Spanning, which degrades axial resolution, was not applied. The system modeling and the DOIC method, which had been validated in 2D image reconstruction, were expanded into 3D implementation. In particular, a new system model including the DOIC transformation was introduced to suppress resolution loss caused by the DOIC method. Experimental results showed that the jPET-D4 has almost uniform spatial resolution of better than 3 mm over the FOV. Finally the first human brain images were obtained with the jPET-D4.

Restricted Closed Shell Hartree Fock Roothaan Matrix Method Applied to Helium Atom Using Mathematica

ERIC Educational Resources Information Center

Acosta, César R.; Tapia, J. Alejandro; Cab, César

2014-01-01

Slater type orbitals were used to construct the overlap and the Hamiltonian core matrices; we also found the values of the bi-electron repulsion integrals. The Hartree Fock Roothaan approximation process starts with setting an initial guess value for the elements of the density matrix; with these matrices we constructed the initial Fock matrix.…

Risk Management using Dependency Stucture Matrix

NASA Astrophysics Data System (ADS)

Petković, Ivan

2011-09-01

An efficient method based on dependency structure matrix (DSM) analysis is given for ranking risks in a complex system or process whose entities are mutually dependent. This rank is determined according to the element's values of the unique positive eigenvector which corresponds to the matrix spectral radius modeling the considered engineering system. For demonstration, the risk problem of NASA's robotic spacecraft is analyzed.

Theory and implementation of H-matrix based iterative and direct solvers for Helmholtz and elastodynamic oscillatory kernels

NASA Astrophysics Data System (ADS)

Chaillat, Stéphanie; Desiderio, Luca; Ciarlet, Patrick

2017-12-01

In this work, we study the accuracy and efficiency of hierarchical matrix (H-matrix) based fast methods for solving dense linear systems arising from the discretization of the 3D elastodynamic Green's tensors. It is well known in the literature that standard H-matrix based methods, although very efficient tools for asymptotically smooth kernels, are not optimal for oscillatory kernels. H2-matrix and directional approaches have been proposed to overcome this problem. However the implementation of such methods is much more involved than the standard H-matrix representation. The central questions we address are twofold. (i) What is the frequency-range in which the H-matrix format is an efficient representation for 3D elastodynamic problems? (ii) What can be expected of such an approach to model problems in mechanical engineering? We show that even though the method is not optimal (in the sense that more involved representations can lead to faster algorithms) an efficient solver can be easily developed. The capabilities of the method are illustrated on numerical examples using the Boundary Element Method.

Trace and surface analysis of ceramic layers of solid oxide fuel cells by mass spectrometry.

PubMed

Becker, J S; Breuer, U; Westheide, J; Saprykin, A I; Holzbrecher, H; Nickel, H; Dietze, H J

1996-06-01

For the trace analysis of impurities in thick ceramic layers of a solid oxide fuel cell (SOFC) sensitive solid-state mass spectrometric methods, such as laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) and radiofrequency glow discharge mass spectrometry (rf-GDMS) have been developed and used. In order to quantify the analytical results of LA-ICP-MS, the relative sensitivity coefficients of elements in a La(0.6)Sr(0.35)MnO(3) matrix have been determined using synthetic standards. Secondary ion mass spectrometry (SIMS) - as a surface analytical method - has been used to characterize the element distribution and diffusion profiles of matrix elements on the interface of a perovskite/Y-stabilized ZrO(2) layer. The application of different mass spectrometric methods for process control in the preparation of ceramic layers for the SOFC is described.

Novel method of optical image registration in wide wavelength range using matrix of piezoelectric crystals

NASA Astrophysics Data System (ADS)

Pigarev, Aleksey V.; Bazarov, Timur O.; Fedorov, Vladimir V.; Ryabushkin, Oleg A.

2018-02-01

Most modern systems of the optical image registration are based on the matrices of photosensitive semiconductor heterostructures. However, measurement of radiation intensities up to several MW/cm2 -level using such detectors is a great challenge because semiconductor elements have low optical damage threshold. Reflecting or absorbing filters that can be used for attenuation of radiation intensity, as a rule, distort beam profile. Furthermore, semiconductor based devices have relatively narrow measurement wavelength bandwidth. We introduce a novel matrix method of optical image registration. This approach doesn't require any attenuation when measuring high radiation intensities. A sensitive element is the matrix made of thin transparent piezoelectric crystals that absorb just a small part of incident optical power. Each crystal element has its own set of intrinsic (acoustic) vibration modes. These modes can be exited due to the inverse piezoelectric effect when the external electric field is applied to the crystal sample providing that the field frequency corresponds to one of the vibration mode frequencies. Such piezoelectric resonances (PR) can be observed by measuring the radiofrequency response spectrum of the crystal placed between the capacitor plates. PR frequencies strongly depend on the crystal temperature. Temperature calibration of PR frequencies is conducted in the uniform heating conditions. In the case a crystal matrix is exposed to the laser radiation the incident power can be obtained separately for each crystal element by measuring its PR frequency kinetics providing that the optical absorption coefficient is known. The operating wavelength range of such sensor is restricted by the transmission bandwidth of the applied crystals. A plane matrix constituting of LiNbO3 crystals was assembled in order to demonstrate the possibility of application of the proposed approach. The crystal elements were placed between two electrodes forming a capacitor which was interconnected to the lock-in detection system. The radiofrequency response to the applied voltage from the generator was measured simultaneously for all elements.

Neutrinoless double beta decay in chiral effective field theory: lepton number violation at dimension seven

DOE PAGES

Cirigliano, V.; Dekens, W.; de Vries, J.; ...

2017-12-15

Here, we analyze neutrinoless double beta decay (0νββ) within the framework of the Standard Model Effective Field Theory. Apart from the dimension-five Weinberg operator, the first contributions appear at dimension seven. We classify the operators and evolve them to the electroweak scale, where we match them to effective dimension-six, -seven, and -nine operators. In the next step, after renormalization group evolution to the QCD scale, we construct the chiral Lagrangian arising from these operators. We then develop a power-counting scheme and derive the two-nucleon 0νββ currents up to leading order in the power counting for each lepton-number-violating operator. We arguemore » that the leading-order contribution to the decay rate depends on a relatively small number of nuclear matrix elements. We test our power counting by comparing nuclear matrix elements obtained by various methods and by different groups. We find that the power counting works well for nuclear matrix elements calculated from a specific method, while, as in the case of light Majorana neutrino exchange, the overall magnitude of the matrix elements can differ by factors of two to three between methods. We also calculate the constraints that can be set on dimension-seven lepton-number-violating operators from 0νββ experiments and study the interplay between dimension-five and -seven operators, discussing how dimension-seven contributions affect the interpretation of 0νββ in terms of the effective Majorana mass m ββ .« less

Neutrinoless double beta decay in chiral effective field theory: lepton number violation at dimension seven

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cirigliano, V.; Dekens, W.; de Vries, J.

Here, we analyze neutrinoless double beta decay (0νββ) within the framework of the Standard Model Effective Field Theory. Apart from the dimension-five Weinberg operator, the first contributions appear at dimension seven. We classify the operators and evolve them to the electroweak scale, where we match them to effective dimension-six, -seven, and -nine operators. In the next step, after renormalization group evolution to the QCD scale, we construct the chiral Lagrangian arising from these operators. We then develop a power-counting scheme and derive the two-nucleon 0νββ currents up to leading order in the power counting for each lepton-number-violating operator. We arguemore » that the leading-order contribution to the decay rate depends on a relatively small number of nuclear matrix elements. We test our power counting by comparing nuclear matrix elements obtained by various methods and by different groups. We find that the power counting works well for nuclear matrix elements calculated from a specific method, while, as in the case of light Majorana neutrino exchange, the overall magnitude of the matrix elements can differ by factors of two to three between methods. We also calculate the constraints that can be set on dimension-seven lepton-number-violating operators from 0νββ experiments and study the interplay between dimension-five and -seven operators, discussing how dimension-seven contributions affect the interpretation of 0νββ in terms of the effective Majorana mass m ββ .« less

Robust Assignment Of Eigensystems For Flexible Structures

NASA Technical Reports Server (NTRS)

Juang, Jer-Nan; Lim, Kyong B.; Junkins, John L.

1992-01-01

Improved method for placement of eigenvalues and eigenvectors of closed-loop control system by use of either state or output feedback. Applied to reduced-order finite-element mathematical model of NASA's MAST truss beam structure. Model represents deployer/retractor assembly, inertial properties of Space Shuttle, and rigid platforms for allocation of sensors and actuators. Algorithm formulated in real arithmetic for efficient implementation. Choice of open-loop eigenvector matrix and its closest unitary matrix believed suitable for generating well-conditioned eigensystem with small control gains. Implication of this approach is that element of iterative search for "optimal" unitary matrix appears unnecessary in practice for many test problems.

Coil-to-coil physiological noise correlations and their impact on fMRI time-series SNR

PubMed Central

Triantafyllou, C.; Polimeni, J. R.; Keil, B.; Wald, L. L.

2017-01-01

Purpose Physiological nuisance fluctuations (“physiological noise”) are a major contribution to the time-series Signal to Noise Ratio (tSNR) of functional imaging. While thermal noise correlations between array coil elements have a well-characterized effect on the image Signal to Noise Ratio (SNR0), the element-to-element covariance matrix of the time-series fluctuations has not yet been analyzed. We examine this effect with a goal of ultimately improving the combination of multichannel array data. Theory and Methods We extend the theoretical relationship between tSNR and SNR0 to include a time-series noise covariance matrix Ψt, distinct from the thermal noise covariance matrix Ψ0, and compare its structure to Ψ0 and the signal coupling matrix SSH formed from the signal intensity vectors S. Results Inclusion of the measured time-series noise covariance matrix into the model relating tSNR and SNR0 improves the fit of experimental multichannel data and is shown to be distinct from Ψ0 or SSH. Conclusion Time-series noise covariances in array coils are found to differ from Ψ0 and more surprisingly, from the signal coupling matrix SSH. Correct characterization of the time-series noise has implications for the analysis of time-series data and for improving the coil element combination process. PMID:26756964

Modeling cometary photopolarimetric characteristics with Sh-matrix method

NASA Astrophysics Data System (ADS)

Kolokolova, L.; Petrov, D.

2017-12-01

Cometary dust is dominated by particles of complex shape and structure, which are often considered as fractal aggregates. Rigorous modeling of light scattering by such particles, even using parallelized codes and NASA supercomputer resources, is very computer time and memory consuming. We are presenting a new approach to modeling cometary dust that is based on the Sh-matrix technique (e.g., Petrov et al., JQSRT, 112, 2012). This method is based on the T-matrix technique (e.g., Mishchenko et al., JQSRT, 55, 1996) and was developed after it had been found that the shape-dependent factors could be separated from the size- and refractive-index-dependent factors and presented as a shape matrix, or Sh-matrix. Size and refractive index dependences are incorporated through analytical operations on the Sh-matrix to produce the elements of T-matrix. Sh-matrix method keeps all advantages of the T-matrix method, including analytical averaging over particle orientation. Moreover, the surface integrals describing the Sh-matrix elements themselves can be solvable analytically for particles of any shape. This makes Sh-matrix approach an effective technique to simulate light scattering by particles of complex shape and surface structure. In this paper, we present cometary dust as an ensemble of Gaussian random particles. The shape of these particles is described by a log-normal distribution of their radius length and direction (Muinonen, EMP, 72, 1996). Changing one of the parameters of this distribution, the correlation angle, from 0 to 90 deg., we can model a variety of particles from spheres to particles of a random complex shape. We survey the angular and spectral dependencies of intensity and polarization resulted from light scattering by such particles, studying how they depend on the particle shape, size, and composition (including porous particles to simulate aggregates) to find the best fit to the cometary observations.

Iterative and multigrid methods in the finite element solution of incompressible and turbulent fluid flow

NASA Astrophysics Data System (ADS)

Lavery, N.; Taylor, C.

1999-07-01

Multigrid and iterative methods are used to reduce the solution time of the matrix equations which arise from the finite element (FE) discretisation of the time-independent equations of motion of the incompressible fluid in turbulent motion. Incompressible flow is solved by using the method of reduce interpolation for the pressure to satisfy the Brezzi-Babuska condition. The k-l model is used to complete the turbulence closure problem. The non-symmetric iterative matrix methods examined are the methods of least squares conjugate gradient (LSCG), biconjugate gradient (BCG), conjugate gradient squared (CGS), and the biconjugate gradient squared stabilised (BCGSTAB). The multigrid algorithm applied is based on the FAS algorithm of Brandt, and uses two and three levels of grids with a V-cycling schedule. These methods are all compared to the non-symmetric frontal solver. Copyright

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yeung, Yu-Hong; Pothen, Alex; Halappanavar, Mahantesh

We present an augmented matrix approach to update the solution to a linear system of equations when the coefficient matrix is modified by a few elements within a principal submatrix. This problem arises in the dynamic security analysis of a power grid, where operators need to performmore » $N-x$ contingency analysis, i.e., determine the state of the system when up to $x$ links from $N$ fail. Our algorithms augment the coefficient matrix to account for the changes in it, and then compute the solution to the augmented system without refactoring the modified matrix. We provide two algorithms, a direct method, and a hybrid direct-iterative method for solving the augmented system. We also exploit the sparsity of the matrices and vectors to accelerate the overall computation. Our algorithms are compared on three power grids with PARDISO, a parallel direct solver, and CHOLMOD, a direct solver with the ability to modify the Cholesky factors of the coefficient matrix. We show that our augmented algorithms outperform PARDISO (by two orders of magnitude), and CHOLMOD (by a factor of up to 5). Further, our algorithms scale better than CHOLMOD as the number of elements updated increases. The solutions are computed with high accuracy. Our algorithms are capable of computing $N-x$ contingency analysis on a $778K$ bus grid, updating a solution with $x=20$ elements in $$1.6 \\times 10^{-2}$$ seconds on an Intel Xeon processor.« less

A Deep Stochastic Model for Detecting Community in Complex Networks

NASA Astrophysics Data System (ADS)

Fu, Jingcheng; Wu, Jianliang

2017-01-01

Discovering community structures is an important step to understanding the structure and dynamics of real-world networks in social science, biology and technology. In this paper, we develop a deep stochastic model based on non-negative matrix factorization to identify communities, in which there are two sets of parameters. One is the community membership matrix, of which the elements in a row correspond to the probabilities of the given node belongs to each of the given number of communities in our model, another is the community-community connection matrix, of which the element in the i-th row and j-th column represents the probability of there being an edge between a randomly chosen node from the i-th community and a randomly chosen node from the j-th community. The parameters can be evaluated by an efficient updating rule, and its convergence can be guaranteed. The community-community connection matrix in our model is more precise than the community-community connection matrix in traditional non-negative matrix factorization methods. Furthermore, the method called symmetric nonnegative matrix factorization, is a special case of our model. Finally, based on the experiments on both synthetic and real-world networks data, it can be demonstrated that our algorithm is highly effective in detecting communities.

A Distributed-Memory Package for Dense Hierarchically Semi-Separable Matrix Computations Using Randomization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rouet, François-Henry; Li, Xiaoye S.; Ghysels, Pieter

In this paper, we present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use Hierarchically Semi-Separable (HSS) representations. Such matrices appear in many applications, for example, finite-element methods, boundary element methods, and so on. Exploiting this structure allows for fast solution of linear systems and/or fast computation of matrix-vector products, which are the two main building blocks of matrix computations. The compression algorithm that we use, that computes the HSS form of an input dense matrix, reliesmore » on randomized sampling with a novel adaptive sampling mechanism. We discuss the parallelization of this algorithm and also present the parallelization of structured matrix-vector product, structured factorization, and solution routines. The efficiency of the approach is demonstrated on large problems from different academic and industrial applications, on up to 8,000 cores. Finally, this work is part of a more global effort, the STRUctured Matrices PACKage (STRUMPACK) software package for computations with sparse and dense structured matrices. Hence, although useful on their own right, the routines also represent a step in the direction of a distributed-memory sparse solver.« less

A Distributed-Memory Package for Dense Hierarchically Semi-Separable Matrix Computations Using Randomization

DOE PAGES

Rouet, François-Henry; Li, Xiaoye S.; Ghysels, Pieter; ...

2016-06-30

In this paper, we present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use Hierarchically Semi-Separable (HSS) representations. Such matrices appear in many applications, for example, finite-element methods, boundary element methods, and so on. Exploiting this structure allows for fast solution of linear systems and/or fast computation of matrix-vector products, which are the two main building blocks of matrix computations. The compression algorithm that we use, that computes the HSS form of an input dense matrix, reliesmore » on randomized sampling with a novel adaptive sampling mechanism. We discuss the parallelization of this algorithm and also present the parallelization of structured matrix-vector product, structured factorization, and solution routines. The efficiency of the approach is demonstrated on large problems from different academic and industrial applications, on up to 8,000 cores. Finally, this work is part of a more global effort, the STRUctured Matrices PACKage (STRUMPACK) software package for computations with sparse and dense structured matrices. Hence, although useful on their own right, the routines also represent a step in the direction of a distributed-memory sparse solver.« less

Shape control of structures with semi-definite stiffness matrices for adaptive wings

NASA Astrophysics Data System (ADS)

Austin, Fred; Van Nostrand, William C.; Rossi, Michael J.

1993-09-01

Maintaining an optimum-wing cross section during transonic cruise can dramatically reduce the shock-induced drag and can result in significant fuel savings and increased range. Our adaptive-wing concept employs actuators as truss elements of active ribs to reshape the wing cross section by deforming the structure. In our previous work, to derive the shape control- system gain matrix, we developed a procedure that requires the inverse of the stiffness matrix of the structure without the actuators. However, this method cannot be applied to designs where the actuators are required structural elements since the stiffness matrices are singular when the actuator are removed. Consequently, a new method was developed, where the order of the problem is reduced and only the inverse of a small nonsingular partition of the stiffness matrix is required to obtain the desired gain matrix. The procedure was experimentally validated by achieving desired shapes of a physical model of an aircraft-wing rib. The theory and test results are presented.

Thermal form-factor approach to dynamical correlation functions of integrable lattice models

NASA Astrophysics Data System (ADS)

Göhmann, Frank; Karbach, Michael; Klümper, Andreas; Kozlowski, Karol K.; Suzuki, Junji

2017-11-01

We propose a method for calculating dynamical correlation functions at finite temperature in integrable lattice models of Yang-Baxter type. The method is based on an expansion of the correlation functions as a series over matrix elements of a time-dependent quantum transfer matrix rather than the Hamiltonian. In the infinite Trotter-number limit the matrix elements become time independent and turn into the thermal form factors studied previously in the context of static correlation functions. We make this explicit with the example of the XXZ model. We show how the form factors can be summed utilizing certain auxiliary functions solving finite sets of nonlinear integral equations. The case of the XX model is worked out in more detail leading to a novel form-factor series representation of the dynamical transverse two-point function.

Combined group ECC protection and subgroup parity protection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gara, Alan; Cheng, Dong; Heidelberger, Philip

A method and system are disclosed for providing combined error code protection and subgroup parity protection for a given group of n bits. The method comprises the steps of identifying a number, m, of redundant bits for said error protection; and constructing a matrix P, wherein multiplying said given group of n bits with P produces m redundant error correction code (ECC) protection bits, and two columns of P provide parity protection for subgroups of said given group of n bits. In the preferred embodiment of the invention, the matrix P is constructed by generating permutations of m bit widemore » vectors with three or more, but an odd number of, elements with value one and the other elements with value zero; and assigning said vectors to rows of the matrix P.« less

Effective implementation of wavelet Galerkin method

NASA Astrophysics Data System (ADS)

Finěk, Václav; Šimunková, Martina

2012-11-01

It was proved by W. Dahmen et al. that an adaptive wavelet scheme is asymptotically optimal for a wide class of elliptic equations. This scheme approximates the solution u by a linear combination of N wavelets and a benchmark for its performance is the best N-term approximation, which is obtained by retaining the N largest wavelet coefficients of the unknown solution. Moreover, the number of arithmetic operations needed to compute the approximate solution is proportional to N. The most time consuming part of this scheme is the approximate matrix-vector multiplication. In this contribution, we will introduce our implementation of wavelet Galerkin method for Poisson equation -Δu = f on hypercube with homogeneous Dirichlet boundary conditions. In our implementation, we identified nonzero elements of stiffness matrix corresponding to the above problem and we perform matrix-vector multiplication only with these nonzero elements.

A proposed method for enhanced eigen-pair extraction using finite element methods: Theory and application

NASA Technical Reports Server (NTRS)

Jara-Almonte, J.; Mitchell, L. D.

1988-01-01

The paper covers two distinct parts: theory and application. The goal of this work was the reduction of model size with an increase in eigenvalue/vector accuracy. This method is ideal for the condensation of large truss- or beam-type structures. The theoretical approach involves the conversion of a continuum transfer matrix beam element into an 'Exact' dynamic stiffness element. This formulation is implemented in a finite element environment. This results in the need to solve a transcendental eigenvalue problem. Once the eigenvalue is determined the eigenvectors can be reconstructed with any desired spatial precision. No discretization limitations are imposed on the reconstruction. The results of such a combined finite element and transfer matrix formulation is a much smaller FEM eigenvalue problem. This formulation has the ability to extract higher eigenvalues as easily and as accurately as lower eigenvalues. Moreover, one can extract many more eigenvalues/vectors from the model than the number of degrees of freedom in the FEM formulation. Typically, the number of eigenvalues accurately extractable via the 'Exact' element method are at least 8 times the number of degrees of freedom. In contrast, the FEM usually extracts one accurate (within 5 percent) eigenvalue for each 3-4 degrees of freedom. The 'Exact' element results in a 20-30 improvement in the number of accurately extractable eigenvalues and eigenvectors.

A modified Finite Element-Transfer Matrix for control design of space structures

NASA Technical Reports Server (NTRS)

Tan, T.-M.; Yousuff, A.; Bahar, L. Y.; Konstandinidis, M.

1990-01-01

The Finite Element-Transfer Matrix (FETM) method was developed for reducing the computational efforts involved in structural analysis. While being widely used by structural analysts, this method does, however, have certain limitations, particularly when used for the control design of large flexible structures. In this paper, a new formulation based on the FETM method is presented. The new method effectively overcomes the limitations in the original FETM method, and also allows an easy construction of reduced models that are tailored for the control design. Other advantages of this new method include the ability to extract open loop frequencies and mode shapes with less computation, and simplification of the design procedures for output feedback, constrained compensation, and decentralized control. The development of this new method and the procedures for generating reduced models using this method are described in detail and the role of the reduced models in control design is discussed through an illustrative example.

Systems and methods for commutating inductor current using a matrix converter

DOEpatents

Ransom, Ray M; Kajouke, Lateef A; Perisic, Milun

2012-10-16

Systems and methods are provided for delivering current using a matrix converter in a vehicle. An electrical system comprises an AC interface, a first conversion module coupled to the AC interface, an inductive element coupled between the AC interface and the first conversion module, and a control module coupled to the first conversion module. The control module is configured to operate the first conversion module in a bidirectional operating mode to commutate current bidirectionally. When a magnitude of the current through the inductive element is greater than a first threshold value, the control module operates the conversion module in a unidirectional operating mode, wherein current is commutated unidirectionally.

Multi-Target Angle Tracking Algorithm for Bistatic MIMO Radar Based on the Elements of the Covariance Matrix

PubMed Central

Zhang, Zhengyan; Zhang, Jianyun; Zhou, Qingsong; Li, Xiaobo

2018-01-01

In this paper, we consider the problem of tracking the direction of arrivals (DOA) and the direction of departure (DOD) of multiple targets for bistatic multiple-input multiple-output (MIMO) radar. A high-precision tracking algorithm for target angle is proposed. First, the linear relationship between the covariance matrix difference and the angle difference of the adjacent moment was obtained through three approximate relations. Then, the proposed algorithm obtained the relationship between the elements in the covariance matrix difference. On this basis, the performance of the algorithm was improved by averaging the covariance matrix element. Finally, the least square method was used to estimate the DOD and DOA. The algorithm realized the automatic correlation of the angle and provided better performance when compared with the adaptive asymmetric joint diagonalization (AAJD) algorithm. The simulation results demonstrated the effectiveness of the proposed algorithm. The algorithm provides the technical support for the practical application of MIMO radar. PMID:29518957

Multi-Target Angle Tracking Algorithm for Bistatic Multiple-Input Multiple-Output (MIMO) Radar Based on the Elements of the Covariance Matrix.

PubMed

Zhang, Zhengyan; Zhang, Jianyun; Zhou, Qingsong; Li, Xiaobo

2018-03-07

In this paper, we consider the problem of tracking the direction of arrivals (DOA) and the direction of departure (DOD) of multiple targets for bistatic multiple-input multiple-output (MIMO) radar. A high-precision tracking algorithm for target angle is proposed. First, the linear relationship between the covariance matrix difference and the angle difference of the adjacent moment was obtained through three approximate relations. Then, the proposed algorithm obtained the relationship between the elements in the covariance matrix difference. On this basis, the performance of the algorithm was improved by averaging the covariance matrix element. Finally, the least square method was used to estimate the DOD and DOA. The algorithm realized the automatic correlation of the angle and provided better performance when compared with the adaptive asymmetric joint diagonalization (AAJD) algorithm. The simulation results demonstrated the effectiveness of the proposed algorithm. The algorithm provides the technical support for the practical application of MIMO radar.

Toward active-matrix lab-on-a-chip: programmable electrofluidic control enabled by arrayed oxide thin film transistors.

PubMed

Noh, Joo Hyon; Noh, Jiyong; Kreit, Eric; Heikenfeld, Jason; Rack, Philip D

2012-01-21

Agile micro- and nano-fluidic control is critical to numerous life science and chemical science synthesis as well as kinetic and thermodynamic studies. To this end, we have demonstrated the use of thin film transistor arrays as an active matrix addressing method to control an electrofluidic array. Because the active matrix method minimizes the number of control lines necessary (m + n lines for the m×n element array), the active matrix addressing method integrated with an electrofluidic platform can be a significant breakthrough for complex electrofluidic arrays (increased size or resolution) with enhanced function, agility and programmability. An amorphous indium gallium zinc oxide (a-IGZO) semiconductor active layer is used because of its high mobility of 1-15 cm(2) V(-1) s(-1), low-temperature processing and transparency for potential spectroscopy and imaging. Several electrofluidic functionalities are demonstrated using a simple 2 × 5 electrode array connected to a 2 × 5 IGZO thin film transistor array with the semiconductor channel width of 50 μm and mobility of 6.3 cm(2) V(-1) s(-1). Additionally, using the TFT device characteristics, active matrix addressing schemes are discussed as the geometry of the electrode array can be tailored to act as a storage capacitor element. Finally, requisite material and device parameters are discussed in context with a VGA scale active matrix addressed electrofluidic platform.

Dispersoid reinforced alloy powder and method of making

DOEpatents

Anderson, Iver E [Ames, IA; Terpstra, Robert L [Ames, IA

2012-06-12

A method of making dispersion-strengthened alloy particles involves melting an alloy having a corrosion and/or oxidation resistance-imparting alloying element, a dispersoid-forming element, and a matrix metal wherein the dispersoid-forming element exhibits a greater tendency to react with a reactive species acquired from an atomizing gas than does the alloying element. The melted alloy is atomized with the atomizing gas including the reactive species to form atomized particles so that the reactive species is (a) dissolved in solid solution to a depth below the surface of atomized particles and/or (b) reacted with the dispersoid-forming element to form dispersoids in the atomized particles to a depth below the surface of said atomized particles. The atomized alloy particles are solidified as solidified alloy particles or as a solidified deposit of alloy particles. Bodies made from the dispersion strengthened alloy particles, deposit thereof, exhibit enhanced fatigue and creep resistance and reduced wear as well as enhanced corrosion and/or oxidation resistance at high temperatures by virtue of the presence of the corrosion and/or oxidation resistance imparting alloying element in solid solution in the particle alloy matrix.

Dispersoid reinforced alloy powder and method of making

DOEpatents

Anderson, Iver E.; Terpstra, Robert L.

2010-04-20

A method of making dispersion-strengthened alloy particles involves melting an alloy having a corrosion and/or oxidation resistance-imparting alloying element, a dispersoid-forming element, and a matrix metal wherein the dispersoid-forming element exhibits a greater tendency to react with a reactive species acquired from an atomizing gas than does the alloying element. The melted alloy is atomized with the atomizing gas including the reactive species to form atomized particles so that the reactive species is (a) dissolved in solid solution to a depth below the surface of atomized particles and/or (b) reacted with the dispersoid-forming element to form dispersoids in the atomized particles to a depth below the surface of said atomized particles. The atomized alloy particles are solidified as solidified alloy particles or as a solidified deposit of alloy particles. Bodies made from the dispersion strengthened alloy particles, deposit thereof, exhibit enhanced fatigue and creep resistance and reduced wear as well as enhanced corrosion and/or oxidation resistance at high temperatures by virtue of the presence of the corrosion and/or oxidation resistance imparting alloying element in solid solution in the particle alloy matrix.

A multigrid solver for the semiconductor equations

NASA Technical Reports Server (NTRS)

Bachmann, Bernhard

1993-01-01

We present a multigrid solver for the exponential fitting method. The solver is applied to the current continuity equations of semiconductor device simulation in two dimensions. The exponential fitting method is based on a mixed finite element discretization using the lowest-order Raviart-Thomas triangular element. This discretization method yields a good approximation of front layers and guarantees current conservation. The corresponding stiffness matrix is an M-matrix. 'Standard' multigrid solvers, however, cannot be applied to the resulting system, as this is dominated by an unsymmetric part, which is due to the presence of strong convection in part of the domain. To overcome this difficulty, we explore the connection between Raviart-Thomas mixed methods and the nonconforming Crouzeix-Raviart finite element discretization. In this way we can construct nonstandard prolongation and restriction operators using easily computable weighted L(exp 2)-projections based on suitable quadrature rules and the upwind effects of the discretization. The resulting multigrid algorithm shows very good results, even for real-world problems and for locally refined grids.

Matrix elements and duality for type 2 unitary representations of the Lie superalgebra gl(m|n)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Werry, Jason L.; Gould, Mark D.; Isaac, Phillip S.

The characteristic identity formalism discussed in our recent articles is further utilized to derive matrix elements of type 2 unitary irreducible gl(m|n) modules. In particular, we give matrix element formulae for all gl(m|n) generators, including the non-elementary generators, together with their phases on finite dimensional type 2 unitary irreducible representations which include the contravariant tensor representations and an additional class of essentially typical representations. Remarkably, we find that the type 2 unitary matrix element equations coincide with the type 1 unitary matrix element equations for non-vanishing matrix elements up to a phase.

Isotropic matrix elements of the collision integral for the Boltzmann equation

NASA Astrophysics Data System (ADS)

Ender, I. A.; Bakaleinikov, L. A.; Flegontova, E. Yu.; Gerasimenko, A. B.

2017-09-01

We have proposed an algorithm for constructing matrix elements of the collision integral for the nonlinear Boltzmann equation isotropic in velocities. These matrix elements have been used to start the recurrent procedure for calculating matrix elements of the velocity-nonisotropic collision integral described in our previous publication. In addition, isotropic matrix elements are of independent interest for calculating isotropic relaxation in a number of physical kinetics problems. It has been shown that the coefficients of expansion of isotropic matrix elements in Ω integrals are connected by the recurrent relations that make it possible to construct the procedure of their sequential determination.

On optimal improvements of classical iterative schemes for Z-matrices

NASA Astrophysics Data System (ADS)

Noutsos, D.; Tzoumas, M.

2006-04-01

Many researchers have considered preconditioners, applied to linear systems, whose matrix coefficient is a Z- or an M-matrix, that make the associated Jacobi and Gauss-Seidel methods converge asymptotically faster than the unpreconditioned ones. Such preconditioners are chosen so that they eliminate the off-diagonal elements of the same column or the elements of the first upper diagonal [Milaszewicz, LAA 93 (1987) 161-170], Gunawardena et al. [LAA 154-156 (1991) 123-143]. In this work we generalize the previous preconditioners to obtain optimal methods. "Good" Jacobi and Gauss-Seidel algorithms are given and preconditioners, that eliminate more than one entry per row, are also proposed and analyzed. Moreover, the behavior of the above preconditioners to the Krylov subspace methods is studied.

Direct Measurement of the Density Matrix of a Quantum System

NASA Astrophysics Data System (ADS)

Thekkadath, G. S.; Giner, L.; Chalich, Y.; Horton, M. J.; Banker, J.; Lundeen, J. S.

2016-09-01

One drawback of conventional quantum state tomography is that it does not readily provide access to single density matrix elements since it requires a global reconstruction. Here, we experimentally demonstrate a scheme that can be used to directly measure individual density matrix elements of general quantum states. The scheme relies on measuring a sequence of three observables, each complementary to the last. The first two measurements are made weak to minimize the disturbance they cause to the state, while the final measurement is strong. We perform this joint measurement on polarized photons in pure and mixed states to directly measure their density matrix. The weak measurements are achieved using two walk-off crystals, each inducing a polarization-dependent spatial shift that couples the spatial and polarization degrees of freedom of the photons. This direct measurement method provides an operational meaning to the density matrix and promises to be especially useful for large dimensional states.

Direct Measurement of the Density Matrix of a Quantum System.

PubMed

Thekkadath, G S; Giner, L; Chalich, Y; Horton, M J; Banker, J; Lundeen, J S

2016-09-16

One drawback of conventional quantum state tomography is that it does not readily provide access to single density matrix elements since it requires a global reconstruction. Here, we experimentally demonstrate a scheme that can be used to directly measure individual density matrix elements of general quantum states. The scheme relies on measuring a sequence of three observables, each complementary to the last. The first two measurements are made weak to minimize the disturbance they cause to the state, while the final measurement is strong. We perform this joint measurement on polarized photons in pure and mixed states to directly measure their density matrix. The weak measurements are achieved using two walk-off crystals, each inducing a polarization-dependent spatial shift that couples the spatial and polarization degrees of freedom of the photons. This direct measurement method provides an operational meaning to the density matrix and promises to be especially useful for large dimensional states.

Comparison of finite element and transfer matrix methods for numerical investigation of surface plasmon waveguides

NASA Astrophysics Data System (ADS)

Haddouche, Issam; Cherbi, Lynda

2017-01-01

In this paper, we investigate Surface Plasmon Polaritons (SPPs) in the visible regime at a metal/dielectric interface within two different waveguide structures, the first is a Photonic Crystal Fiber where the Full Vector Finite Element Method (FVFEM) is used and the second is a slab waveguide where the transfer matrix method (TMM) is used. Knowing the diversities between the two methods in terms of speed, simplicity, and scope of application, computation is implemented with respect to wavelength and metal layer thickness in order to analyze and compare the performances of the two methods. Simulation results show that the TMM can be a good approximation for the FVFEM and that SPPs behave more like modes propagating in a semi infinite metal/dielectric structure as metal thickness increases from about 150 nm.

Prediction of high temperature metal matrix composite ply properties

NASA Technical Reports Server (NTRS)

Caruso, J. J.; Chamis, C. C.

1988-01-01

The application of the finite element method (superelement technique) in conjunction with basic concepts from mechanics of materials theory is demonstrated to predict the thermomechanical behavior of high temperature metal matrix composites (HTMMC). The simulated behavior is used as a basis to establish characteristic properties of a unidirectional composite idealized an as equivalent homogeneous material. The ply properties predicted include: thermal properties (thermal conductivities and thermal expansion coefficients) and mechanical properties (moduli and Poisson's ratio). These properties are compared with those predicted by a simplified, analytical composite micromechanics model. The predictive capabilities of the finite element method and the simplified model are illustrated through the simulation of the thermomechanical behavior of a P100-graphite/copper unidirectional composite at room temperature and near matrix melting temperature. The advantage of the finite element analysis approach is its ability to more precisely represent the composite local geometry and hence capture the subtle effects that are dependent on this. The closed form micromechanics model does a good job at representing the average behavior of the constituents to predict composite behavior.

Representing Matrix Cracks Through Decomposition of the Deformation Gradient Tensor in Continuum Damage Mechanics Methods

NASA Technical Reports Server (NTRS)

Leone, Frank A., Jr.

2015-01-01

A method is presented to represent the large-deformation kinematics of intraply matrix cracks and delaminations in continuum damage mechanics (CDM) constitutive material models. The method involves the additive decomposition of the deformation gradient tensor into 'crack' and 'bulk material' components. The response of the intact bulk material is represented by a reduced deformation gradient tensor, and the opening of an embedded cohesive interface is represented by a normalized cohesive displacement-jump vector. The rotation of the embedded interface is tracked as the material deforms and as the crack opens. The distribution of the total local deformation between the bulk material and the cohesive interface components is determined by minimizing the difference between the cohesive stress and the bulk material stress projected onto the cohesive interface. The improvements to the accuracy of CDM models that incorporate the presented method over existing approaches are demonstrated for a single element subjected to simple shear deformation and for a finite element model of a unidirectional open-hole tension specimen. The material model is implemented as a VUMAT user subroutine for the Abaqus/Explicit finite element software. The presented deformation gradient decomposition method reduces the artificial load transfer across matrix cracks subjected to large shearing deformations, and avoids the spurious secondary failure modes that often occur in analyses based on conventional progressive damage models.

Equations of motion for a spectrum-generating algebra: Lipkin Meshkov Glick model

NASA Astrophysics Data System (ADS)

Rosensteel, G.; Rowe, D. J.; Ho, S. Y.

2008-01-01

For a spectrum-generating Lie algebra, a generalized equations-of-motion scheme determines numerical values of excitation energies and algebra matrix elements. In the approach to the infinite particle number limit or, more generally, whenever the dimension of the quantum state space is very large, the equations-of-motion method may achieve results that are impractical to obtain by diagonalization of the Hamiltonian matrix. To test the method's effectiveness, we apply it to the well-known Lipkin-Meshkov-Glick (LMG) model to find its low-energy spectrum and associated generator matrix elements in the eigenenergy basis. When the dimension of the LMG representation space is 106, computation time on a notebook computer is a few minutes. For a large particle number in the LMG model, the low-energy spectrum makes a quantum phase transition from a nondegenerate harmonic vibrator to a twofold degenerate harmonic oscillator. The equations-of-motion method computes critical exponents at the transition point.

Recognition of Risk Information - Adaptation of J. Bertin's Orderable Matrix for social communication

NASA Astrophysics Data System (ADS)

Ishida, Keiichi

2018-05-01

This paper aims to show capability of the Orderable Matrix of Jacques Bertin which is a visualization method of data analyze and/or a method to recognize data. That matrix can show the data by replacing numbers to visual element. As an example, using a set of data regarding natural hazard rankings for certain metropolitan cities in the world, this paper describes how the Orderable Matrix handles the data set and show characteristic factors of this data to understand it. Not only to see a kind of risk ranking of cities, the Orderable Matrix shows how differently danger concerned cities ones and others are. Furthermore, we will see that the visualized data by Orderable Matrix allows us to see the characteristics of the data set comprehensively and instantaneously.

Matrix method for acoustic levitation simulation.

PubMed

Andrade, Marco A B; Perez, Nicolas; Buiochi, Flavio; Adamowski, Julio C

2011-08-01

A matrix method is presented for simulating acoustic levitators. A typical acoustic levitator consists of an ultrasonic transducer and a reflector. The matrix method is used to determine the potential for acoustic radiation force that acts on a small sphere in the standing wave field produced by the levitator. The method is based on the Rayleigh integral and it takes into account the multiple reflections that occur between the transducer and the reflector. The potential for acoustic radiation force obtained by the matrix method is validated by comparing the matrix method results with those obtained by the finite element method when using an axisymmetric model of a single-axis acoustic levitator. After validation, the method is applied in the simulation of a noncontact manipulation system consisting of two 37.9-kHz Langevin-type transducers and a plane reflector. The manipulation system allows control of the horizontal position of a small levitated sphere from -6 mm to 6 mm, which is done by changing the phase difference between the two transducers. The horizontal position of the sphere predicted by the matrix method agrees with the horizontal positions measured experimentally with a charge-coupled device camera. The main advantage of the matrix method is that it allows simulation of non-symmetric acoustic levitators without requiring much computational effort.

Reduction of interferences in graphite furnace atomic absorption spectrometry by multiple linear regression modelling

NASA Astrophysics Data System (ADS)

Grotti, Marco; Abelmoschi, Maria Luisa; Soggia, Francesco; Tiberiade, Christian; Frache, Roberto

2000-12-01

The multivariate effects of Na, K, Mg and Ca as nitrates on the electrothermal atomisation of manganese, cadmium and iron were studied by multiple linear regression modelling. Since the models proved to efficiently predict the effects of the considered matrix elements in a wide range of concentrations, they were applied to correct the interferences occurring in the determination of trace elements in seawater after pre-concentration of the analytes. In order to obtain a statistically significant number of samples, a large volume of the certified seawater reference materials CASS-3 and NASS-3 was treated with Chelex-100 resin; then, the chelating resin was separated from the solution, divided into several sub-samples, each of them was eluted with nitric acid and analysed by electrothermal atomic absorption spectrometry (for trace element determinations) and inductively coupled plasma optical emission spectrometry (for matrix element determinations). To minimise any other systematic error besides that due to matrix effects, accuracy of the pre-concentration step and contamination levels of the procedure were checked by inductively coupled plasma mass spectrometric measurements. Analytical results obtained by applying the multiple linear regression models were compared with those obtained with other calibration methods, such as external calibration using acid-based standards, external calibration using matrix-matched standards and the analyte addition technique. Empirical models proved to efficiently reduce interferences occurring in the analysis of real samples, allowing an improvement of accuracy better than for other calibration methods.

An efficient basis set representation for calculating electrons in molecules

DOE PAGES

Jones, Jeremiah R.; Rouet, Francois -Henry; Lawler, Keith V.; ...

2016-04-27

The method of McCurdy, Baertschy, and Rescigno, is generalised to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive one- and two-electron matrix elements diagonal; in other words, the Coulomb operator is local with respect to the grid indices. Themore » calculation of contracted two-electron matrix elements among orbitals requires only O( Nlog (N)) multiplication operations, not O( N 4), where N is the number of basis functions; N = n 3 on cubic grids. The representation not only is numerically expedient, but also produces energies and properties superior to those calculated variationally. Absolute energies, absorption cross sections, transition energies, and ionisation potentials are reported for 1- (He +, H + 2), 2- (H 2, He), 10- (CH 4), and 56-electron (C 8H 8) systems.« less

Discrete element modeling of microstructure of nacre

NASA Astrophysics Data System (ADS)

Chandler, Mei Qiang; Cheng, Jing-Ru C.

2018-04-01

The microstructure of nacre consists of polygon-shaped aragonite mineral tablets bonded by very thin layers of organic materials and is organized in a brick-mortar morphology. In this research, the discrete element method was utilized to model this structure. The aragonite mineral tablets were modeled with three-dimensional polygon particles generated by the Voronoi tessellation method to represent the Voronoi-like patterns of mineral tablets assembly observed in experiments. The organic matrix was modeled with a group of spring elements. The constitutive relations of the spring elements were inspired from the experimental results of organic molecules from the literature. The mineral bridges were modeled with simple elastic bonds with the parameters based on experimental data from the literature. The bulk stress-strain responses from the models agreed well with experimental results. The model results show that the mineral bridges play important roles in providing the stiffness and yield strength for the nacre, while the organic matrix in providing the ductility for the nacre. This work demonstrated the suitability of particle methods for modeling microstructures of nacre.

Proton-Proton Fusion and Tritium β Decay from Lattice Quantum Chromodynamics

NASA Astrophysics Data System (ADS)

Savage, Martin J.; Shanahan, Phiala E.; Tiburzi, Brian C.; Wagman, Michael L.; Winter, Frank; Beane, Silas R.; Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Orginos, Kostas; Nplqcd Collaboration

2017-08-01

The nuclear matrix element determining the p p →d e+ν fusion cross section and the Gamow-Teller matrix element contributing to tritium β decay are calculated with lattice quantum chromodynamics for the first time. Using a new implementation of the background field method, these quantities are calculated at the SU(3) flavor-symmetric value of the quark masses, corresponding to a pion mass of mπ˜806 MeV . The Gamow-Teller matrix element in tritium is found to be 0.979(03)(10) at these quark masses, which is within 2 σ of the experimental value. Assuming that the short-distance correlated two-nucleon contributions to the matrix element (meson-exchange currents) depend only mildly on the quark masses, as seen for the analogous magnetic interactions, the calculated p p →d e+ν transition matrix element leads to a fusion cross section at the physical quark masses that is consistent with its currently accepted value. Moreover, the leading two-nucleon axial counterterm of pionless effective field theory is determined to be L1 ,A=3.9 (0.2 )(1.0 )(0.4 )(0.9 ) fm3 at a renormalization scale set by the physical pion mass, also agreeing within the accepted phenomenological range. This work concretely demonstrates that weak transition amplitudes in few-nucleon systems can be studied directly from the fundamental quark and gluon degrees of freedom and opens the way for subsequent investigations of many important quantities in nuclear physics.

Characteristics of Matrix Metals in Which Fast Diffusion of Foreign Metallic Elements Occurs

NASA Astrophysics Data System (ADS)

Mae, Yoshiharu

2018-04-01

A few foreign elements are known to diffuse faster than the self-diffusion of the matrix metal. However, the characteristics of the matrix metal, which contribute to such fast diffusion remain unknown. In this study, the diffusion coefficients of various elements were plotted on a TC-YM diagram. The matrix metals that show fast diffusion are located in the low thermal conductivity range of the TC-YM diagram, while diffuser elements that undergo fast diffusion are mainly gulf elements such as Fe, Ni, Co, Cr, and Cu. The gulf elements are those that show the largest combination of thermal conductivity and Young's modulus. The great difference in the electron mobility between the matrix metal and diffuser elements generates a repulsive force between them, and the repulsive force—acting between the soft and large atoms of the matrix metal and the hard and small atoms of the diffuser elements—deforms the atoms of the matrix metal to open passageways for fast diffusion of diffuser elements.

Micromechanical analysis on anisotropy of structured magneto-rheological elastomer

NASA Astrophysics Data System (ADS)

Li, R.; Zhang, Z.; Chen, S. W.; Wang, X. J.

2015-07-01

This paper investigates the equivalent elastic modulus of structured magneto-rheological elastomer (MRE) in the absence of magnetic field. We assume that both matrix and ferromagnetic particles are linear elastic materials, and ferromagnetic particles are embedded in matrix with layer-like structure. The structured composite could be divided into matrix layer and reinforced layer, in which the reinforced layer is composed of matrix and the homogenously distributed ferromagnetic particles in matrix. The equivalent elastic modulus of reinforced layer is analysed by the Mori-Tanaka method. Finite Element Method (FEM) is also carried out to illustrate the relationship between the elastic modulus and the volume fraction of ferromagnetic particles. The results show that the anisotropy of elastic modulus becomes noticeable, as the volume fraction of particles increases.

Deploy production sliding mesh capability with linear solver benchmarking.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Domino, Stefan P.; Thomas, Stephen; Barone, Matthew F.

Wind applications require the ability to simulate rotating blades. To support this use-case, a novel design-order sliding mesh algorithm has been developed and deployed. The hybrid method combines the control volume finite element methodology (CVFEM) with concepts found within a discontinuous Galerkin (DG) finite element method (FEM) to manage a sliding mesh. The method has been demonstrated to be design-order for the tested polynomial basis (P=1 and P=2) and has been deployed to provide production simulation capability for a Vestas V27 (225 kW) wind turbine. Other stationary and canonical rotating ow simulations are also presented. As the majority of wind-energymore » applications are driving extensive usage of hybrid meshes, a foundational study that outlines near-wall numerical behavior for a variety of element topologies is presented. Results indicate that the proposed nonlinear stabilization operator (NSO) is an effective stabilization methodology to control Gibbs phenomena at large cell Peclet numbers. The study also provides practical mesh resolution guidelines for future analysis efforts. Application-driven performance and algorithmic improvements have been carried out to increase robustness of the scheme on hybrid production wind energy meshes. Specifically, the Kokkos-based Nalu Kernel construct outlined in the FY17/Q4 ExaWind milestone has been transitioned to the hybrid mesh regime. This code base is exercised within a full V27 production run. Simulation timings for parallel search and custom ghosting are presented. As the low-Mach application space requires implicit matrix solves, the cost of matrix reinitialization has been evaluated on a variety of production meshes. Results indicate that at low element counts, i.e., fewer than 100 million elements, matrix graph initialization and preconditioner setup times are small. However, as mesh sizes increase, e.g., 500 million elements, simulation time associated with \\setup-up" costs can increase to nearly 50% of overall simulation time when using the full Tpetra solver stack and nearly 35% when using a mixed Tpetra- Hypre-based solver stack. The report also highlights the project achievement of surpassing the 1 billion element mesh scale for a production V27 hybrid mesh. A detailed timing breakdown is presented that again suggests work to be done in the setup events associated with the linear system. In order to mitigate these initialization costs, several application paths have been explored, all of which are designed to reduce the frequency of matrix reinitialization. Methods such as removing Jacobian entries on the dynamic matrix columns (in concert with increased inner equation iterations), and lagging of Jacobian entries have reduced setup times at the cost of numerical stability. Artificially increasing, or bloating, the matrix stencil to ensure that full Jacobians are included is developed with results suggesting that this methodology is useful in decreasing reinitialization events without loss of matrix contributions. With the above foundational advances in computational capability, the project is well positioned to begin scientific inquiry on a variety of wind-farm physics such as turbine/turbine wake interactions.« less

Applying transfer matrix method to the estimation of the modal characteristics of the NASA Mini-Mass Truss

NASA Technical Reports Server (NTRS)

Shen, Ji-Yao; Taylor, Lawrence W., Jr.

1994-01-01

It is beneficial to use a distributed parameter model for large space structures because the approach minimizes the number of model parameters. Holzer's transfer matrix method provides a useful means to simplify and standardize the procedure for solving the system of partial differential equations. Any large space structures can be broken down into sub-structures with simple elastic and dynamical properties. For each single element, such as beam, tether, or rigid body, we can derive the corresponding transfer matrix. Combining these elements' matrices enables the solution of the global system equations. The characteristics equation can then be formed by satisfying the appropriate boundary conditions. Then natural frequencies and mode shapes can be determined by searching the roots of the characteristic equation at frequencies within the range of interest. This paper applies this methodology, and the maximum likelihood estimation method, to refine the modal characteristics of the NASA Mini-Mast Truss by successively matching the theoretical response to the test data of the truss. The method is being applied to more complex configurations.

Coupled bending-torsion steady-state response of pretwisted, nonuniform rotating beams using a transfer-matrix method

NASA Technical Reports Server (NTRS)

Gray, Carl E., Jr.

1988-01-01

Using the Newtonian method, the equations of motion are developed for the coupled bending-torsion steady-state response of beams rotating at constant angular velocity in a fixed plane. The resulting equations are valid to first order strain-displacement relationships for a long beam with all other nonlinear terms retained. In addition, the equations are valid for beams with the mass centroidal axis offset (eccentric) from the elastic axis, nonuniform mass and section properties, and variable twist. The solution of these coupled, nonlinear, nonhomogeneous, differential equations is obtained by modifying a Hunter linear second-order transfer-matrix solution procedure to solve the nonlinear differential equations and programming the solution for a desk-top personal computer. The modified transfer-matrix method was verified by comparing the solution for a rotating beam with a geometric, nonlinear, finite-element computer code solution; and for a simple rotating beam problem, the modified method demonstrated a significant advantage over the finite-element solution in accuracy, ease of solution, and actual computer processing time required to effect a solution.

Numerical stability analysis of two-dimensional solute transport along a discrete fracture in a porous rock matrix

NASA Astrophysics Data System (ADS)

Watanabe, Norihiro; Kolditz, Olaf

2015-07-01

This work reports numerical stability conditions in two-dimensional solute transport simulations including discrete fractures surrounded by an impermeable rock matrix. We use an advective-dispersive problem described in Tang et al. (1981) and examine the stability of the Crank-Nicolson Galerkin finite element method (CN-GFEM). The stability conditions are analyzed in terms of the spatial discretization length perpendicular to the fracture, the flow velocity, the diffusion coefficient, the matrix porosity, the fracture aperture, and the fracture longitudinal dispersivity. In addition, we verify applicability of the recently developed finite element method-flux corrected transport (FEM-FCT) method by Kuzmin () to suppress oscillations in the hybrid system, with a comparison to the commonly utilized Streamline Upwinding/Petrov-Galerkin (SUPG) method. Major findings of this study are (1) the mesh von Neumann number (Fo) ≥ 0.373 must be satisfied to avoid undershooting in the matrix, (2) in addition to an upper bound, the Courant number also has a lower bound in the fracture in cases of low dispersivity, and (3) the FEM-FCT method can effectively suppress the oscillations in both the fracture and the matrix. The results imply that, in cases of low dispersivity, prerefinement of a numerical mesh is not sufficient to avoid the instability in the hybrid system if a problem involves evolutionary flow fields and dynamic material parameters. Applying the FEM-FCT method to such problems is recommended if negative concentrations cannot be tolerated and computing time is not a strong issue.

Laser diagnostics of native cervix dabs with human papilloma virus in high carcinogenic risk

NASA Astrophysics Data System (ADS)

Peresunko, O. P.; Karpenko, Ju. G.; Burkovets, D. N.; Ivashko, P. V.; Nikorych, A. V.; Yermolenko, S. B.; Gruia, Ion; Gruia, M. J.

2015-11-01

The results of experimental studies of coordinate distributions of Mueller matrix elements of the following types of cervical scraping tissue are presented: rate- low-grade - highly differentiated dysplasia (CIN1-CIN3) - adenocarcinoma of high, medium and low levels of differentiation (G1-G3). The rationale for the choice of statistical points 1-4 orders polarized coherent radiation field, transformed as a result of interaction with the oncologic modified biological layers "epithelium-stroma" as a quantitative criterion of polarimetric optical differentiation state of human biological tissues are shown here. The analysis of the obtained Mueller matrix elements and statistical correlation methods, the systematized by types studied tissues is accomplished. The results of research images of Mueller matrix elements m34 for this type of pathology as low-grade dysplasia (CIN2), the results of its statistical and correlation analysis are presented.

On the cross-stream spectral method for the Orr-Sommerfeld equation

NASA Technical Reports Server (NTRS)

Zorumski, William E.; Hodge, Steven L.

1993-01-01

Cross-stream models are defined as solutions to the Orr-Sommerfeld equation which are propagating normal to the flow direction. These models are utilized as a basis for a Hilbert space to approximate the spectrum of the Orr-Sommerfeld equation with plane Poiseuille flow. The cross-stream basis leads to a standard eigenvalue problem for the frequencies of Poiseuille flow instability waves. The coefficient matrix in the eigenvalue problem is shown to be the sum of a real matrix and a negative-imaginary diagonal matrix which represents the frequencies of the cross-stream modes. The real coefficient matrix is shown to approach a Toeplitz matrix when the row and column indices are large. The Toeplitz matrix is diagonally dominant, and the diagonal elements vary inversely in magnitude with diagonal position. The Poiseuille flow eigenvalues are shown to lie within Gersgorin disks with radii bounded by the product of the average flow speed and the axial wavenumber. It is shown that the eigenvalues approach the Gersgorin disk centers when the mode index is large, so that the method may be used to compute spectra with an essentially unlimited number of elements. When the mode index is large, the real part of the eigenvalue is the product of the axial wavenumber and the average flow speed, and the imaginary part of the eigen value is identical to the corresponding cross-stream mode frequency. The cross-stream method is numerically well-conditioned in comparison to Chebyshev based methods, providing equivalent accuracy for small mode indices and superior accuracy for large indices.

The GMOseek matrix: a decision support tool for optimizing the detection of genetically modified plants.

PubMed

Block, Annette; Debode, Frédéric; Grohmann, Lutz; Hulin, Julie; Taverniers, Isabel; Kluga, Linda; Barbau-Piednoir, Elodie; Broeders, Sylvia; Huber, Ingrid; Van den Bulcke, Marc; Heinze, Petra; Berben, Gilbert; Busch, Ulrich; Roosens, Nancy; Janssen, Eric; Žel, Jana; Gruden, Kristina; Morisset, Dany

2013-08-22

Since their first commercialization, the diversity of taxa and the genetic composition of transgene sequences in genetically modified plants (GMOs) are constantly increasing. To date, the detection of GMOs and derived products is commonly performed by PCR-based methods targeting specific DNA sequences introduced into the host genome. Information available regarding the GMOs' molecular characterization is dispersed and not appropriately organized. For this reason, GMO testing is very challenging and requires more complex screening strategies and decision making schemes, demanding in return the use of efficient bioinformatics tools relying on reliable information. The GMOseek matrix was built as a comprehensive, online open-access tabulated database which provides a reliable, comprehensive and user-friendly overview of 328 GMO events and 247 different genetic elements (status: 18/07/2013). The GMOseek matrix is aiming to facilitate GMO detection from plant origin at different phases of the analysis. It assists in selecting the targets for a screening analysis, interpreting the screening results, checking the occurrence of a screening element in a group of selected GMOs, identifying gaps in the available pool of GMO detection methods, and designing a decision tree. The GMOseek matrix is an independent database with effective functionalities in a format facilitating transferability to other platforms. Data were collected from all available sources and experimentally tested where detection methods and certified reference materials (CRMs) were available. The GMOseek matrix is currently a unique and very valuable tool with reliable information on GMOs from plant origin and their present genetic elements that enables further development of appropriate strategies for GMO detection. It is flexible enough to be further updated with new information and integrated in different applications and platforms.

The GMOseek matrix: a decision support tool for optimizing the detection of genetically modified plants

PubMed Central

2013-01-01

Background Since their first commercialization, the diversity of taxa and the genetic composition of transgene sequences in genetically modified plants (GMOs) are constantly increasing. To date, the detection of GMOs and derived products is commonly performed by PCR-based methods targeting specific DNA sequences introduced into the host genome. Information available regarding the GMOs’ molecular characterization is dispersed and not appropriately organized. For this reason, GMO testing is very challenging and requires more complex screening strategies and decision making schemes, demanding in return the use of efficient bioinformatics tools relying on reliable information. Description The GMOseek matrix was built as a comprehensive, online open-access tabulated database which provides a reliable, comprehensive and user-friendly overview of 328 GMO events and 247 different genetic elements (status: 18/07/2013). The GMOseek matrix is aiming to facilitate GMO detection from plant origin at different phases of the analysis. It assists in selecting the targets for a screening analysis, interpreting the screening results, checking the occurrence of a screening element in a group of selected GMOs, identifying gaps in the available pool of GMO detection methods, and designing a decision tree. The GMOseek matrix is an independent database with effective functionalities in a format facilitating transferability to other platforms. Data were collected from all available sources and experimentally tested where detection methods and certified reference materials (CRMs) were available. Conclusions The GMOseek matrix is currently a unique and very valuable tool with reliable information on GMOs from plant origin and their present genetic elements that enables further development of appropriate strategies for GMO detection. It is flexible enough to be further updated with new information and integrated in different applications and platforms. PMID:23965170

A matrix-inversion method for gamma-source mapping from gamma-count data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adsley, Ian; Burgess, Claire; Bull, Richard K

In a previous paper it was proposed that a simple matrix inversion method could be used to extract source distributions from gamma-count maps, using simple models to calculate the response matrix. The method was tested using numerically generated count maps. In the present work a 100 kBq Co{sup 60} source has been placed on a gridded surface and the count rate measured using a NaI scintillation detector. The resulting map of gamma counts was used as input to the matrix inversion procedure and the source position recovered. A multi-source array was simulated by superposition of several single-source count maps andmore » the source distribution was again recovered using matrix inversion. The measurements were performed for several detector heights. The effects of uncertainties in source-detector distances on the matrix inversion method are also examined. The results from this work give confidence in the application of the method to practical applications, such as the segregation of highly active objects amongst fuel-element debris. (authors)« less

Plutonium oxalate precipitation for trace elemental determination in plutonium materials

DOE PAGES

Xu, Ning; Gallimore, David; Lujan, Elmer; ...

2015-05-26

In this study, an analytical chemistry method has been developed that removes the plutonium (Pu) matrix from the dissolved Pu metal or oxide solution prior to the determination of trace impurities that are present in the metal or oxide. In this study, a Pu oxalate approach was employed to separate Pu from trace impurities. After Pu(III) was precipitated with oxalic acid and separated by centrifugation, trace elemental constituents in the supernatant were analyzed by inductively coupled plasma-optical emission spectroscopy with minimized spectral interferences from the sample matrix.

The topological particle and Morse theory

NASA Astrophysics Data System (ADS)

Rogers, Alice

2000-09-01

Canonical BRST quantization of the topological particle defined by a Morse function h is described. Stochastic calculus, using Brownian paths which implement the WKB method in a new way providing rigorous tunnelling results even in curved space, is used to give an explicit and simple expression for the matrix elements of the evolution operator for the BRST Hamiltonian. These matrix elements lead to a representation of the manifold cohomology in terms of critical points of h along lines developed by Witten (Witten E 1982 J. Diff. Geom. 17 661-92).

``Dressing'' lines and vertices in calculations of matrix elements with the coupled-cluster method and determination of Cs atomic properties

NASA Astrophysics Data System (ADS)

Derevianko, Andrei; Porsev, Sergey G.

2005-03-01

We consider evaluation of matrix elements with the coupled-cluster method. Such calculations formally involve infinite number of terms and we devise a method of partial summation (dressing) of the resulting series. Our formalism is built upon an expansion of the product C†C of cluster amplitudes C into a sum of n -body insertions. We consider two types of insertions: particle (hole) line insertion and two-particle (two-hole) random-phase-approximation-like insertion. We demonstrate how to “dress” these insertions and formulate iterative equations. We illustrate the dressing equations in the case when the cluster operator is truncated at single and double excitations. Using univalent systems as an example, we upgrade coupled-cluster diagrams for matrix elements with the dressed insertions and highlight a relation to pertinent fourth-order diagrams. We illustrate our formalism with relativistic calculations of the hyperfine constant A(6s) and the 6s1/2-6p1/2 electric-dipole transition amplitude for the Cs atom. Finally, we augment the truncated coupled-cluster calculations with otherwise omitted fourth order diagrams. The resulting analysis for Cs is complete through the fourth order of many-body perturbation theory and reveals an important role of triple and disconnected quadruple excitations.

Sparse matrix methods based on orthogonality and conjugacy

NASA Technical Reports Server (NTRS)

Lawson, C. L.

1973-01-01

A matrix having a high percentage of zero elements is called spares. In the solution of systems of linear equations or linear least squares problems involving large sparse matrices, significant saving of computer cost can be achieved by taking advantage of the sparsity. The conjugate gradient algorithm and a set of related algorithms are described.

An Alternating Least Squares Method for the Weighted Approximation of a Symmetric Matrix.

ERIC Educational Resources Information Center

ten Berge, Jos M. F.; Kiers, Henk A. L.

1993-01-01

R. A. Bailey and J. C. Gower explored approximating a symmetric matrix "B" by another, "C," in the least squares sense when the squared discrepancies for diagonal elements receive specific nonunit weights. A solution is proposed where "C" is constrained to be positive semidefinite and of a fixed rank. (SLD)

The aggregated unfitted finite element method for elliptic problems

NASA Astrophysics Data System (ADS)

Badia, Santiago; Verdugo, Francesc; Martín, Alberto F.

2018-07-01

Unfitted finite element techniques are valuable tools in different applications where the generation of body-fitted meshes is difficult. However, these techniques are prone to severe ill conditioning problems that obstruct the efficient use of iterative Krylov methods and, in consequence, hinders the practical usage of unfitted methods for realistic large scale applications. In this work, we present a technique that addresses such conditioning problems by constructing enhanced finite element spaces based on a cell aggregation technique. The presented method, called aggregated unfitted finite element method, is easy to implement, and can be used, in contrast to previous works, in Galerkin approximations of coercive problems with conforming Lagrangian finite element spaces. The mathematical analysis of the new method states that the condition number of the resulting linear system matrix scales as in standard finite elements for body-fitted meshes, without being affected by small cut cells, and that the method leads to the optimal finite element convergence order. These theoretical results are confirmed with 2D and 3D numerical experiments.

Recognition and defect detection of dot-matrix text via variation-model based learning

NASA Astrophysics Data System (ADS)

Ohyama, Wataru; Suzuki, Koushi; Wakabayashi, Tetsushi

2017-03-01

An algorithm for recognition and defect detection of dot-matrix text printed on products is proposed. Extraction and recognition of dot-matrix text contains several difficulties, which are not involved in standard camera-based OCR, that the appearance of dot-matrix characters is corrupted and broken by illumination, complex texture in the background and other standard characters printed on product packages. We propose a dot-matrix text extraction and recognition method which does not require any user interaction. The method employs detected location of corner points and classification score. The result of evaluation experiment using 250 images shows that recall and precision of extraction are 78.60% and 76.03%, respectively. Recognition accuracy of correctly extracted characters is 94.43%. Detecting printing defect of dot-matrix text is also important in the production scene to avoid illegal productions. We also propose a detection method for printing defect of dot-matrix characters. The method constructs a feature vector of which elements are classification scores of each character class and employs support vector machine to classify four types of printing defect. The detection accuracy of the proposed method is 96.68 %.

Dispersoid reinforced alloy powder and method of making

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, Iver E.; Terpstra, Robert L.

A method of making dispersion-strengthened alloy particles involves melting an alloy having a corrosion and/or oxidation resistance-imparting alloying element, a dispersoid-forming element, and a matrix metal wherein the dispersoid-forming element exhibits a greater tendency to react with a reactive species acquired from an atomizing gas than does the alloying element. The melted alloy is atomized with the atomizing gas including the reactive species to form atomized particles so that the reactive species is (a) dissolved in solid solution to a depth below the surface of atomized particles and/or (b) reacted with the dispersoid-forming element to form dispersoids in the atomizedmore » particles to a depth below the surface of said atomized particles. The atomized alloy particles are solidified as solidified alloy particles or as a solidified deposit of alloy particles. Bodies made from the dispersion strengthened alloy particles, deposit thereof, exhibit enhanced fatigue and creep resistance and reduced wear as well as enhanced corrosion and/or oxidation resistance at high temperatures by virtue of the presence of the corrosion and/or oxidation resistance imparting alloying element in solid solution in the particle alloy matrix.« less

Dispersoid reinforced alloy powder and method of making

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, Iver E.; Terpstra, Robert L.

2017-10-10

A method of making dispersion-strengthened alloy particles involves melting an alloy having a corrosion and/or oxidation resistance-imparting alloying element, a dispersoid-forming element, and a matrix metal wherein the dispersoid-forming element exhibits a greater tendency to react with a reactive species acquired from an atomizing gas than does the alloying element. The melted alloy is atomized with the atomizing gas including the reactive species to form atomized particles so that the reactive species is (a) dissolved in solid solution to a depth below the surface of atomized particles and/or (b) reacted with the dispersoid-forming element to form dispersoids in the atomizedmore » particles to a depth below the surface of said atomized particles. The atomized alloy particles are solidified as solidified alloy particles or as a solidified deposit of alloy particles. Bodies made from the dispersion strengthened alloy particles, deposit thereof, exhibit enhanced fatigue and creep resistance and reduced wear as well as enhanced corrosion and/or oxidation resistance at high temperatures by virtue of the presence of the corrosion and/or oxidation resistance imparting alloying element in solid solution in the particle alloy matrix.« less

Application of Fuzzy Logic to Matrix FMECA

NASA Astrophysics Data System (ADS)

Shankar, N. Ravi; Prabhu, B. S.

2001-04-01

A methodology combining the benefits of Fuzzy Logic and Matrix FMEA is presented in this paper. The presented methodology extends the risk prioritization beyond the conventional Risk Priority Number (RPN) method. Fuzzy logic is used to calculate the criticality rank. Also the matrix approach is improved further to develop a pictorial representation retaining all relevant qualitative and quantitative information of several FMEA elements relationships. The methodology presented is demonstrated by application to an illustrative example.

0{nu}{beta}{beta}-decay nuclear matrix elements with self-consistent short-range correlations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simkovic, Fedor; Bogoliubov Laboratory of Theoretical Physics, JINR, RU-141 980 Dubna, Moscow region; Department of Nuclear Physics, Comenius University, Mlynska dolina F1, SK-842 15 Bratislava

A self-consistent calculation of nuclear matrix elements of the neutrinoless double-beta decays (0{nu}{beta}{beta}) of {sup 76}Ge, {sup 82}Se, {sup 96}Zr, {sup 100}Mo, {sup 116}Cd, {sup 128}Te, {sup 130}Te, and {sup 136}Xe is presented in the framework of the renormalized quasiparticle random phase approximation (RQRPA) and the standard QRPA. The pairing and residual interactions as well as the two-nucleon short-range correlations are for the first time derived from the same modern realistic nucleon-nucleon potentials, namely, from the charge-dependent Bonn potential (CD-Bonn) and the Argonne V18 potential. In a comparison with the traditional approach of using the Miller-Spencer Jastrow correlations, matrix elementsmore » for the 0{nu}{beta}{beta} decay are obtained that are larger in magnitude. We analyze the differences among various two-nucleon correlations including those of the unitary correlation operator method (UCOM) and quantify the uncertainties in the calculated 0{nu}{beta}{beta}-decay matrix elements.« less

Fast Minimum Variance Beamforming Based on Legendre Polynomials.

PubMed

Bae, MooHo; Park, Sung Bae; Kwon, Sung Jae

2016-09-01

Currently, minimum variance beamforming (MV) is actively investigated as a method that can improve the performance of an ultrasound beamformer, in terms of the lateral and contrast resolution. However, this method has the disadvantage of excessive computational complexity since the inverse spatial covariance matrix must be calculated. Some noteworthy methods among various attempts to solve this problem include beam space adaptive beamforming methods and the fast MV method based on principal component analysis, which are similar in that the original signal in the element space is transformed to another domain using an orthonormal basis matrix and the dimension of the covariance matrix is reduced by approximating the matrix only with important components of the matrix, hence making the inversion of the matrix very simple. Recently, we proposed a new method with further reduced computational demand that uses Legendre polynomials as the basis matrix for such a transformation. In this paper, we verify the efficacy of the proposed method through Field II simulations as well as in vitro and in vivo experiments. The results show that the approximation error of this method is less than or similar to those of the above-mentioned methods and that the lateral response of point targets and the contrast-to-speckle noise in anechoic cysts are also better than or similar to those methods when the dimensionality of the covariance matrices is reduced to the same dimension.

Scattering Properties of Needle-Like and plate-like Ice Spheroids with Moderate Size Parameters

NASA Technical Reports Server (NTRS)

Zakharova, Nadia T.; Mishchenko, Michael I.; Hansen, James E. (Technical Monitor)

2000-01-01

We use the current advanced version of the T-matrix method to compute the optical cross sections, the asymmetry parameter of the phase function, and the scattering matrix elements of ice spheroids with aspect ratios up to 20 and surface-equivalent-sphere size parameters up to 12. We demonstrate that plate-like and needle-like particles with moderate size parameters possess unique scattering properties: their asymmetry parameters and phase functions are similar to those of surface-equivalent spheres, whereas all other elements of the scattering matrix are typical of particles much smaller than the wavelength (Rayleigh scatterers). This result may have important implications for optical particle sizing and remote sensing of the terrestrial and planetary atmospheres.

Multiple-mode nonlinear free and forced vibrations of beams using finite element method

NASA Technical Reports Server (NTRS)

Mei, Chuh; Decha-Umphai, Kamolphan

1987-01-01

Multiple-mode nonlinear free and forced vibration of a beam is analyzed by the finite element method. The geometric nonlinearity is investigated. Inplane displacement and inertia (IDI) are also considered in the formulation. Harmonic force matrix is derived and explained. Nonlinear free vibration can be simply treated as a special case of the general forced vibration by setting the harmonic force matrix equal to zero. The effect of the higher modes is more pronouced for the clamped supported beam than the simply supported one. Beams without IDI yield more effect of the higher modes than the one with IDI. The effects of IDI are to reduce nonlinearity. For beams with end supports restrained from axial movement (immovable cases), only the hardening type nonlinearity is observed. However, beams of small slenderness ratio (L/R = 20) with movable end supports, the softening type nonlinearity is found. The concentrated force case yields a more severe response than the uniformly distributed force case. Finite element results are in good agreement with the solution of simple elliptic response, harmonic balance method, and Runge-Kutte method and experiment.

A Search for the tt¯H (H → bb) Large Hadron Collider with the atlas detector using a matrix element method

NASA Astrophysics Data System (ADS)

Basye, Austin T.

A matrix element method analysis of the Standard Model Higgs boson, produced in association with two top quarks decaying to the lepton-plus-jets channel is presented. Based on 20.3 fb--1 of s=8 TeV data, produced at the Large Hadron Collider and collected by the ATLAS detector, this analysis utilizes multiple advanced techniques to search for ttH signatures with a 125 GeV Higgs boson decaying to two b -quarks. After categorizing selected events based on their jet and b-tag multiplicities, signal rich regions are analyzed using the matrix element method. Resulting variables are then propagated to two parallel multivariate analyses utilizing Neural Networks and Boosted Decision Trees respectively. As no significant excess is found, an observed (expected) limit of 3.4 (2.2) times the Standard Model cross-section is determined at 95% confidence, using the CLs method, for the Neural Network analysis. For the Boosted Decision Tree analysis, an observed (expected) limit of 5.2 (2.7) times the Standard Model cross-section is determined at 95% confidence, using the CLs method. Corresponding unconstrained fits of the Higgs boson signal strength to the observed data result in the measured signal cross-section to Standard Model cross-section prediction of mu = 1.2 +/- 1.3(total) +/- 0.7(stat.) for the Neural Network analysis, and mu = 2.9 +/- 1.4(total) +/- 0.8(stat.) for the Boosted Decision Tree analysis.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bazavov, A.; Bernard, C.; Bouchard, C. M.

We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B 0- and B s-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B-meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ=1.206(18)(6), where themore » second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B-meson oscillation frequencies to determine the CKM matrix elements |V td| = 8.00(34)(8)×10 -3, |V ts| = 39.0(1.2)(0.4)×10 -3, and |V td/V ts| = 0.2052(31)(10), which differ from CKM-unitarity expectations by about 2σ. In addition, these results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.« less

Determining Diagonal Branches in Mine Ventilation Networks

NASA Astrophysics Data System (ADS)

Krach, Andrzej

2014-12-01

The present paper discusses determining diagonal branches in a mine ventilation network by means of a method based on the relationship A⊗ PT(k, l) = M, which states that the nodal-branch incidence matrix A, modulo-2 multiplied by the transposed path matrix PT(k, l ) from node no. k to node no. l, yields the matrix M where all the elements in rows k and l - corresponding to the start and the end node - are 1, and where the elements in the remaining rows are 0, exclusively. If a row of the matrix M is to contain only "0" elements, the following condition has to be fulfilled: after multiplying the elements of a row of the matrix A by the elements of a column of the matrix PT(k, l), i.e. by the elements of a proper row of the matrix P(k, l ), the result row must display only "0" elements or an even number of "1" entries, as only such a number of "1" entries yields 0 when modulo-2 added - and since the rows of the matrix A correspond to the graph nodes, and the path nodes level is 2 (apart from the nodes k and l, whose level is 1), then the number of "1" elements in a row has to be 0 or 2. If, in turn, the rows k and l of the matrix M are to contain only "1" elements, the following condition has to be fulfilled: after multiplying the elements of the row k or l of the matrix A by the elements of a column of the matrix PT(k, l), the result row must display an uneven number of "1" entries, as only such a number of "1" entries yields 1 when modulo-2 added - and since the rows of the matrix A correspond to the graph nodes, and the level of the i and j path nodes is 1, then the number of "1" elements in a row has to be 1. The process of determining diagonal branches by means of this method was demonstrated using the example of a simple ventilation network with two upcast shafts and one downcast shaft. W artykule przedstawiono metodę wyznaczania bocznic przekątnych w sieci wentylacyjnej kopalni metodą bazującą na zależności A⊗PT(k, l) = M, która podaje, że macierz incydencji węzłowo bocznicowej A pomnożona modulo 2 przez transponowaną macierz ścieżek PT(k, l) od węzła nr k do węzła nr l daje w wyniku macierz M o takich własnościach że ma same jedynki w wierszach k i l, odpowiadającym węzłom początkowemu i końcowemu i same zera w pozostałych wierszach. Warunkiem na to, aby w wierszu macierzy M były same zera jest aby po pomnożeniu elementów wiersza macierzy A przez elementy kolumny macierzy PT(k, l), czyli przez elementy odpowiedniego wiersza macierzy P(k, l), w wierszu wynikowym były same zera lub parzysta liczba jedynek, ponieważ tylko taka liczba jedynek zsumowana modulo 2 daje w wyniku 0, a ponieważ wiersze macierzy A odpowiadają węzłom grafu, a węzły ścieżki są stopnia 2 (oprócz węzłów k i l, które są stopnia 1), to liczba jedynek w wierszu musi być równa 0 lub 2. Natomiast warunkiem na to, aby w wierszach k i l macierzy M były same jedynki jest aby po pomnożeniu elementów wiersza k lub l macierzy A przez elementy kolumny macierzy PT(k, l) w wierszu wynikowym była nieparzysta liczba jedynek, ponieważ tylko taka liczba jedynek zsumowana modulo 2 daje w wyniku 1, a ponieważ wiersze macierzy A odpowiadają węzłom grafu, a węzły k i j ścieżki są stopnia 1, to liczba jedynek w wierszu musi być równa 1. Wyznaczanie bocznic przekątnych tą metodą pokazano na przykładzie prostej sieci wentylacyjnej z dwoma szybami wydechowymi i jednym wdechowym.

Efficient and robust compositional two-phase reservoir simulation in fractured media

NASA Astrophysics Data System (ADS)

Zidane, A.; Firoozabadi, A.

2015-12-01

Compositional and compressible two-phase flow in fractured media has wide applications including CO2 injection. Accurate simulations are currently based on the discrete fracture approach using the cross-flow equilibrium model. In this approach the fractures and a small part of the matrix blocks are combined to form a grid cell. The major drawback is low computational efficiency. In this work we use the discrete-fracture approach to model the fractures where the fracture entities are described explicitly in the computational domain. We use the concept of cross-flow equilibrium in the fractures (FCFE). This allows using large matrix elements in the neighborhood of the fractures. We solve the fracture transport equations implicitly to overcome the Courant-Freidricks-Levy (CFL) condition in the small fracture elements. Our implicit approach is based on calculation of the derivative of the molar concentration of component i in phase (cαi ) with respect to the total molar concentration (ci ) at constant volume V and temperature T. This contributes to significant speed up of the code. The hybrid mixed finite element method (MFE) is used to solve for the velocity in both the matrix and the fractures coupled with the discontinuous Galerkin (DG) method to solve the species transport equations in the matrix, and a finite volume (FV) discretization in the fractures. In large scale problems the proposed approach is orders of magnitude faster than the existing models.

Simulating Matrix Crack and Delamination Interaction in a Clamped Tapered Beam

NASA Technical Reports Server (NTRS)

De Carvalho, N. V.; Seshadri, B. R.; Ratcliffe, J. G.; Mabson, G. E.; Deobald, L. R.

2017-01-01

Blind predictions were conducted to validate a discrete crack methodology based on the Floating Node Method to simulate matrix-crack/delamination interaction. The main novel aspects of the approach are: (1) the implementation of the floating node method via an 'extended interface element' to represent delaminations, matrix-cracks and their interaction, (2) application of directional cohesive elements to infer overall delamination direction, and (3) use of delamination direction and stress state at the delamination front to determine migration onset. Overall, good agreement was obtained between simulations and experiments. However, the validation exercise revealed the strong dependence of the simulation of matrix-crack/delamination interaction on the strength data (in this case transverse interlaminar strength, YT) used within the cohesive zone approach applied in this work. This strength value, YT, is itself dependent on the test geometry from which the strength measurement is taken. Thus, choosing an appropriate strength value becomes an ad-hoc step. As a consequence, further work is needed to adequately characterize and assess the accuracy and adequacy of cohesive zone approaches to model small crack growth and crack onset. Additionally, often when simulating damage progression with cohesive zone elements, the strength is lowered while keeping the fracture toughness constant to enable the use of coarser meshes. Results from the present study suggest that this approach is not recommended for any problem involving crack initiation, small crack growth or multiple crack interaction.

Preconditioned conjugate residual methods for the solution of spectral equations

NASA Technical Reports Server (NTRS)

Wong, Y. S.; Zang, T. A.; Hussaini, M. Y.

1986-01-01

Conjugate residual methods for the solution of spectral equations are described. An inexact finite-difference operator is introduced as a preconditioner in the iterative procedures. Application of these techniques is limited to problems for which the symmetric part of the coefficient matrix is positive definite. Although the spectral equation is a very ill-conditioned and full matrix problem, the computational effort of the present iterative methods for solving such a system is comparable to that for the sparse matrix equations obtained from the application of either finite-difference or finite-element methods to the same problems. Numerical experiments are shown for a self-adjoint elliptic partial differential equation with Dirichlet boundary conditions, and comparison with other solution procedures for spectral equations is presented.

Solid matrix transformation and tracer addition using molten ammonium bifluoride salt as a sample preparation method for laser ablation inductively coupled plasma mass spectrometry.

PubMed

Grate, Jay W; Gonzalez, Jhanis J; O'Hara, Matthew J; Kellogg, Cynthia M; Morrison, Samuel S; Koppenaal, David W; Chan, George C-Y; Mao, Xianglei; Zorba, Vassilia; Russo, Richard E

2017-09-08

Solid sampling and analysis methods, such as laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS), are challenged by matrix effects and calibration difficulties. Matrix-matched standards for external calibration are seldom available and it is difficult to distribute spikes evenly into a solid matrix as internal standards. While isotopic ratios of the same element can be measured to high precision, matrix-dependent effects in the sampling and analysis process frustrate accurate quantification and elemental ratio determinations. Here we introduce a potentially general solid matrix transformation approach entailing chemical reactions in molten ammonium bifluoride (ABF) salt that enables the introduction of spikes as tracers or internal standards. Proof of principle experiments show that the decomposition of uranium ore in sealed PFA fluoropolymer vials at 230 °C yields, after cooling, new solids suitable for direct solid sampling by LA. When spikes are included in the molten salt reaction, subsequent LA-ICP-MS sampling at several spots indicate that the spikes are evenly distributed, and that U-235 tracer dramatically improves reproducibility in U-238 analysis. Precisions improved from 17% relative standard deviation for U-238 signals to 0.1% for the ratio of sample U-238 to spiked U-235, a factor of over two orders of magnitude. These results introduce the concept of solid matrix transformation (SMT) using ABF, and provide proof of principle for a new method of incorporating internal standards into a solid for LA-ICP-MS. This new approach, SMT-LA-ICP-MS, provides opportunities to improve calibration and quantification in solids based analysis. Looking forward, tracer addition to transformed solids opens up LA-based methods to analytical methodologies such as standard addition, isotope dilution, preparation of matrix-matched solid standards, external calibration, and monitoring instrument drift against external calibration standards.

An Optimization Code for Nonlinear Transient Problems of a Large Scale Multidisciplinary Mathematical Model

NASA Astrophysics Data System (ADS)

Takasaki, Koichi

This paper presents a program for the multidisciplinary optimization and identification problem of the nonlinear model of large aerospace vehicle structures. The program constructs the global matrix of the dynamic system in the time direction by the p-version finite element method (pFEM), and the basic matrix for each pFEM node in the time direction is described by a sparse matrix similarly to the static finite element problem. The algorithm used by the program does not require the Hessian matrix of the objective function and so has low memory requirements. It also has a relatively low computational cost, and is suited to parallel computation. The program was integrated as a solver module of the multidisciplinary analysis system CUMuLOUS (Computational Utility for Multidisciplinary Large scale Optimization of Undense System) which is under development by the Aerospace Research and Development Directorate (ARD) of the Japan Aerospace Exploration Agency (JAXA).

Is Hidden Crossings Theory a New MOCC Method?

NASA Astrophysics Data System (ADS)

Krstić, Predrag; Schultz, David

1998-05-01

We find un unitary transformation of the scaled adiabatic Hamiltonian of a two-center, one-electron collision system which yields a new representation for the matrix elements of nonadiabatic radial coupling, valid for low-to-intermediate collision velocities. These are given in analytic form once the topology of the branch points of the adiabatic Hamiltonian in the plane of complex internuclear distance R is known. The matrix elements do not depend on origin of electronic coordinates and properly vanish at large internuclear distances. The role of the rotational couplings in the new representation is also discussed. The aproach is appropriately extended and compared with the PSS treatment in the fully quantal description of the collision. We apply new radial and rotational matrix elements in the standard Molecular Orbital Close Coupling (MOCC) approach to describe excitation and ionization in collisions of antiprotons with He^+ and of alpha-particles with hydrogen(P.S. Krstić et al, J. Phys. B. 31, in press (1998).). The results are compared with those obtained from the standard MOCC method and from the direct solutions of the Schrödinger equation on lattice (LTDSE)(D.R. Schultz et al, Phys. Rev. A 56, 3710 (1997)).

Representation of the Coulomb Matrix Elements by Means of Appell Hypergeometric Function F 2

NASA Astrophysics Data System (ADS)

Bentalha, Zine el abidine

2018-06-01

Exact analytical representation for the Coulomb matrix elements by means of Appell's double series F 2 is derived. The finite sum obtained for the Appell function F 2 allows us to evaluate explicitly the matrix elements of the two-body Coulomb interaction in the lowest Landau level. An application requiring the matrix elements of Coulomb potential in quantum Hall effect regime is presented.

Slepton pair production at the LHC in NLO+NLL with resummation-improved parton densities

NASA Astrophysics Data System (ADS)

Fiaschi, Juri; Klasen, Michael

2018-03-01

Novel PDFs taking into account resummation-improved matrix elements, albeit only in the fit of a reduced data set, allow for consistent NLO+NLL calculations of slepton pair production at the LHC. We apply a factorisation method to this process that minimises the effect of the data set reduction, avoids the problem of outlier replicas in the NNPDF method for PDF uncertainties and preserves the reduction of the scale uncertainty. For Run II of the LHC, left-handed selectron/smuon, right-handed and maximally mixed stau production, we confirm that the consistent use of threshold-improved PDFs partially compensates the resummation contributions in the matrix elements. Together with the reduction of the scale uncertainty at NLO+NLL, the described method further increases the reliability of slepton pair production cross sections at the LHC.

Convergence of Chahine's nonlinear relaxation inversion method used for limb viewing remote sensing

NASA Technical Reports Server (NTRS)

Chu, W. P.

1985-01-01

The application of Chahine's (1970) inversion technique to remote sensing problems utilizing the limb viewing geometry is discussed. The problem considered here involves occultation-type measurements and limb radiance-type measurements from either spacecraft or balloon platforms. The kernel matrix of the inversion problem is either an upper or lower triangular matrix. It is demonstrated that the Chahine inversion technique always converges, provided the diagonal elements of the kernel matrix are nonzero.

Placing three-dimensional isoparametric elements into NASTRAN. [alterations in matrix assembly to simplify generation of higher order elements

NASA Technical Reports Server (NTRS)

Newman, M. B.; Filstrup, A. W.

1973-01-01

Linear (8 node), parabolic (20 node), cubic (32 node) and mixed (some edges linear, some parabolic and some cubic) have been inserted into NASTRAN, level 15.1. First the dummy element feature was used to check out the stiffness matrix generation routines for the linear element in NASTRAN. Then, the necessary modules of NASTRAN were modified to include the new family of elements. The matrix assembly was changed so that the stiffness matrix of each isoparametric element is only generated once as the time to generate these higher order elements tends to be much longer than the other elements in NASTRAN. This paper presents some of the experiences and difficulties of inserting a new element or family of elements into NASTRAN.

Robust Image Regression Based on the Extended Matrix Variate Power Exponential Distribution of Dependent Noise.

PubMed

Luo, Lei; Yang, Jian; Qian, Jianjun; Tai, Ying; Lu, Gui-Fu

2017-09-01

Dealing with partial occlusion or illumination is one of the most challenging problems in image representation and classification. In this problem, the characterization of the representation error plays a crucial role. In most current approaches, the error matrix needs to be stretched into a vector and each element is assumed to be independently corrupted. This ignores the dependence between the elements of error. In this paper, it is assumed that the error image caused by partial occlusion or illumination changes is a random matrix variate and follows the extended matrix variate power exponential distribution. This has the heavy tailed regions and can be used to describe a matrix pattern of l×m dimensional observations that are not independent. This paper reveals the essence of the proposed distribution: it actually alleviates the correlations between pixels in an error matrix E and makes E approximately Gaussian. On the basis of this distribution, we derive a Schatten p -norm-based matrix regression model with L q regularization. Alternating direction method of multipliers is applied to solve this model. To get a closed-form solution in each step of the algorithm, two singular value function thresholding operators are introduced. In addition, the extended Schatten p -norm is utilized to characterize the distance between the test samples and classes in the design of the classifier. Extensive experimental results for image reconstruction and classification with structural noise demonstrate that the proposed algorithm works much more robustly than some existing regression-based methods.

Efficiency analysis of numerical integrations for finite element substructure in real-time hybrid simulation

NASA Astrophysics Data System (ADS)

Wang, Jinting; Lu, Liqiao; Zhu, Fei

2018-01-01

Finite element (FE) is a powerful tool and has been applied by investigators to real-time hybrid simulations (RTHSs). This study focuses on the computational efficiency, including the computational time and accuracy, of numerical integrations in solving FE numerical substructure in RTHSs. First, sparse matrix storage schemes are adopted to decrease the computational time of FE numerical substructure. In this way, the task execution time (TET) decreases such that the scale of the numerical substructure model increases. Subsequently, several commonly used explicit numerical integration algorithms, including the central difference method (CDM), the Newmark explicit method, the Chang method and the Gui-λ method, are comprehensively compared to evaluate their computational time in solving FE numerical substructure. CDM is better than the other explicit integration algorithms when the damping matrix is diagonal, while the Gui-λ (λ = 4) method is advantageous when the damping matrix is non-diagonal. Finally, the effect of time delay on the computational accuracy of RTHSs is investigated by simulating structure-foundation systems. Simulation results show that the influences of time delay on the displacement response become obvious with the mass ratio increasing, and delay compensation methods may reduce the relative error of the displacement peak value to less than 5% even under the large time-step and large time delay.

Modal Ring Method for the Scattering of Electromagnetic Waves

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Kreider, Kevin L.

1993-01-01

The modal ring method for electromagnetic scattering from perfectly electric conducting (PEC) symmetrical bodies is presented. The scattering body is represented by a line of finite elements (triangular) on its outer surface. The infinite computational region surrounding the body is represented analytically by an eigenfunction expansion. The modal ring method effectively reduces the two dimensional scattering problem to a one-dimensional problem similar to the method of moments. The modal element method is capable of handling very high frequency scattering because it has a highly banded solution matrix.

Design and development of high frequency matrix phased-array ultrasonic probes

NASA Astrophysics Data System (ADS)

Na, Jeong K.; Spencer, Roger L.

2012-05-01

High frequency matrix phased-array (MPA) probes have been designed and developed for more accurate and repeatable assessment of weld conditions of thin sheet metals commonly used in the auto industry. Unlike the line focused ultrasonic beam generated by a linear phased-array (LPA) probe, a MPA probe can form a circular shaped focused beam in addition to the typical beam steering capabilities of phased-array probes. A CIVA based modeling and simulation method has been used to design the probes in terms of various probe parameters such as number of elements, element size, overall dimensions, frequency etc. Challenges associated with the thicknesses of thin sheet metals have been resolved by optimizing these probe design parameters. A further improvement made on the design of the MPA probe proved that a three-dimensionally shaped matrix element can provide a better performing probe at a much lower probe manufacturing cost by reducing the total number of elements and lowering the operational frequency. This three dimensional probe naturally matches to the indentation shape of the weld on the thin sheet metals and hence a wider inspection area with the same level of spatial resolution obtained by a twodimensional flat MPA probe operating at a higher frequency. The two aspects, a wider inspection area and a lower probe manufacturing cost, make this three-dimensional MPA sensor more attractive to auto manufacturers demanding a quantitative nondestructive inspection method.

Methods for Estimating Uncertainty in Factor Analytic Solutions

EPA Science Inventory

The EPA PMF (Environmental Protection Agency positive matrix factorization) version 5.0 and the underlying multilinear engine-executable ME-2 contain three methods for estimating uncertainty in factor analytic models: classical bootstrap (BS), displacement of factor elements (DI...

Matrix multiplication operations with data pre-conditioning in a high performance computing architecture

DOEpatents

Eichenberger, Alexandre E; Gschwind, Michael K; Gunnels, John A

2013-11-05

Mechanisms for performing matrix multiplication operations with data pre-conditioning in a high performance computing architecture are provided. A vector load operation is performed to load a first vector operand of the matrix multiplication operation to a first target vector register. A load and splat operation is performed to load an element of a second vector operand and replicating the element to each of a plurality of elements of a second target vector register. A multiply add operation is performed on elements of the first target vector register and elements of the second target vector register to generate a partial product of the matrix multiplication operation. The partial product of the matrix multiplication operation is accumulated with other partial products of the matrix multiplication operation.

3-D Magnetotelluric Forward Modeling And Inversion Incorporating Topography By Using Vector Finite-Element Method Combined With Divergence Corrections Based On The Magnetic Field (VFEH++)

NASA Astrophysics Data System (ADS)

Shi, X.; Utada, H.; Jiaying, W.

2009-12-01

The vector finite-element method combined with divergence corrections based on the magnetic field H, referred to as VFEH++ method, is developed to simulate the magnetotelluric (MT) responses of 3-D conductivity models. The advantages of the new VFEH++ method are the use of edge-elements to eliminate the vector parasites and the divergence corrections to explicitly guarantee the divergence-free conditions in the whole modeling domain. 3-D MT topographic responses are modeling using the new VFEH++ method, and are compared with those calculated by other numerical methods. The results show that MT responses can be modeled highly accurate using the VFEH+ +method. The VFEH++ algorithm is also employed for the 3-D MT data inversion incorporating topography. The 3-D MT inverse problem is formulated as a minimization problem of the regularized misfit function. In order to avoid the huge memory requirement and very long time for computing the Jacobian sensitivity matrix for Gauss-Newton method, we employ the conjugate gradient (CG) approach to solve the inversion equation. In each iteration of CG algorithm, the cost computation is the product of the Jacobian sensitivity matrix with a model vector x or its transpose with a data vector y, which can be transformed into two pseudo-forwarding modeling. This avoids the full explicitly Jacobian matrix calculation and storage which leads to considerable savings in the memory required by the inversion program in PC computer. The performance of CG algorithm will be illustrated by several typical 3-D models with horizontal earth surface and topographic surfaces. The results show that the VFEH++ and CG algorithms can be effectively employed to 3-D MT field data inversion.

EMUstack: An open source route to insightful electromagnetic computation via the Bloch mode scattering matrix method

NASA Astrophysics Data System (ADS)

Sturmberg, Björn C. P.; Dossou, Kokou B.; Lawrence, Felix J.; Poulton, Christopher G.; McPhedran, Ross C.; Martijn de Sterke, C.; Botten, Lindsay C.

2016-05-01

We describe EMUstack, an open-source implementation of the Scattering Matrix Method (SMM) for solving field problems in layered media. The fields inside nanostructured layers are described in terms of Bloch modes that are found using the Finite Element Method (FEM). Direct access to these modes allows the physical intuition of thin film optics to be extended to complex structures. The combination of the SMM and the FEM makes EMUstack ideally suited for studying lossy, high-index contrast structures, which challenge conventional SMMs.

New Multigrid Method Including Elimination Algolithm Based on High-Order Vector Finite Elements in Three Dimensional Magnetostatic Field Analysis

NASA Astrophysics Data System (ADS)

Hano, Mitsuo; Hotta, Masashi

A new multigrid method based on high-order vector finite elements is proposed in this paper. Low level discretizations in this method are obtained by using low-order vector finite elements for the same mesh. Gauss-Seidel method is used as a smoother, and a linear equation of lowest level is solved by ICCG method. But it is often found that multigrid solutions do not converge into ICCG solutions. An elimination algolithm of constant term using a null space of the coefficient matrix is also described. In three dimensional magnetostatic field analysis, convergence time and number of iteration of this multigrid method are discussed with the convectional ICCG method.

Finite elements and the method of conjugate gradients on a concurrent processor

NASA Technical Reports Server (NTRS)

Lyzenga, G. A.; Raefsky, A.; Hager, G. H.

1985-01-01

An algorithm for the iterative solution of finite element problems on a concurrent processor is presented. The method of conjugate gradients is used to solve the system of matrix equations, which is distributed among the processors of a MIMD computer according to an element-based spatial decomposition. This algorithm is implemented in a two-dimensional elastostatics program on the Caltech Hypercube concurrent processor. The results of tests on up to 32 processors show nearly linear concurrent speedup, with efficiencies over 90 percent for sufficiently large problems.

Finite elements and the method of conjugate gradients on a concurrent processor

NASA Technical Reports Server (NTRS)

Lyzenga, G. A.; Raefsky, A.; Hager, B. H.

1984-01-01

An algorithm for the iterative solution of finite element problems on a concurrent processor is presented. The method of conjugate gradients is used to solve the system of matrix equations, which is distributed among the processors of a MIMD computer according to an element-based spatial decomposition. This algorithm is implemented in a two-dimensional elastostatics program on the Caltech Hypercube concurrent processor. The results of tests on up to 32 processors show nearly linear concurrent speedup, with efficiencies over 90% for sufficiently large problems.

Advanced composites: Fabrication processes for selected resin matrix materials

NASA Technical Reports Server (NTRS)

Welhart, E. K.

1976-01-01

This design note is based on present state of the art for epoxy and polyimide matrix composite fabrication technology. Boron/epoxy and polyimide and graphite/epoxy and polyimide structural parts can be successfully fabricated. Fabrication cycles for polyimide matrix composites have been shortened to near epoxy cycle times. Nondestructive testing has proven useful in detecting defects and anomalies in composite structure elements. Fabrication methods and tooling materials are discussed along with the advantages and disadvantages of different tooling materials. Types of honeycomb core, material costs and fabrication methods are shown in table form for comparison. Fabrication limits based on tooling size, pressure capabilities and various machining operations are also discussed.

Diagrammatic technique for calculating matrix elements of collective operators in superradiance. [eigenstates for N two-level atom systems

NASA Technical Reports Server (NTRS)

Lee, C. T.

1975-01-01

Adopting the so-called genealogical construction, one can express the eigenstates of collective operators corresponding to a specified mode for an N-atom system in terms of those for an (N-1) atom system. Using these Dicke states as bases and using the Wigner-Eckart theorem, a matrix element of a collective operator of an arbitrary mode can be written as the product of an m-dependent factor and an m-independent reduced matrix element (RME). A set of recursion formulas for the RME is obtained. A graphical representation of the RME on the branching diagram for binary irreducible representations of permutation groups is then introduced. This gives a simple and systematic way of calculating the RME. This method is especially useful when the cooperation number r is close to N/2, where almost exact asymptotic expressions can be obtained easily. The result shows explicity the geometry dependence of superradiance and the relative importance of r-conserving and r-nonconserving processes.

The current matrix elements from HAL QCD method

NASA Astrophysics Data System (ADS)

Watanabe, Kai; Ishii, Noriyoshi

2018-03-01

HAL QCD method is a method to construct a potential (HAL QCD potential) that reproduces the NN scattering phase shift faithful to the QCD. The HAL QCD potential is obtained from QCD by eliminating the degrees of freedom of quarks and gluons and leaving only two particular hadrons. Therefor, in the effective quantum mechanics of two nucleons defined by HAL QCD potential, the conserved current consists not only of the nucleon current but also an extra current originating from the potential (two-body current). Though the form of the two-body current is closely related to the potential, it is not straight forward to extract the former from the latter. In this work, we derive the the current matrix element formula in the quantum mechanics defined by the HAL QCD potential. As a first step, we focus on the non-relativistic case. To give an explicit example, we consider a second quantized non-relativistic two-channel coupling model which we refer to as the original model. From the original model, the HAL QCD potential for the open channel is constructed by eliminating the closed channel in the elastic two-particle scattering region. The current matrix element formula is derived by demanding the effective quantum mechanics defined by the HAL QCD potential to respond to the external field in the same way as the original two-channel coupling model.

Case studies: the impact of nonanalyte components on LC-MS/MS-based bioanalysis: strategies for identifying and overcoming matrix effects.

PubMed

Li, Fumin; Ewles, Matthew; Pelzer, Mary; Brus, Theodore; Ledvina, Aaron; Gray, Nicholas; Koupaei-Abyazani, Mohammad; Blackburn, Michael

2013-10-01

Achieving sufficient selectivity in bioanalysis is critical to ensure accurate quantitation of drugs and metabolites in biological matrices. Matrix effects most classically refer to modification of ionization efficiency of an analyte in the presence of matrix components. However, nonanalyte or matrix components present in samples can adversely impact the performance of a bioanalytical method and are broadly considered as matrix effects. For the current manuscript, we expand the scope to include matrix elements that contribute to isobaric interference and measurement bias. These three categories of matrix effects are illustrated with real examples encountered. The causes, symptoms, and suggested strategies and resolutions for each form of matrix effects are discussed. Each case is presented in the format of situation/action/result to facilitate reading.

Mapping the Conjugate Gradient Algorithm onto High Performance Heterogeneous Computers

DTIC Science & Technology

2014-05-01

Matrix Storage Formats According to J . Dongarra (Dongerra 2000), the efficiency of most iterative methods, such as CG, can be attributed to the...valh = aij) ⇒ (colh = j ). The ptr integer vector is of length n + 1 and contains the index in val where each matrix row starts. For example, the...first nonzero element of matrix rowm is found at index ptrm of val. By convention, ptrn+1 ≡ nz + 1. Notice that (aij) ⇒ (ptri ≤ j < ptri+1) for all i. An

Accelerating wave propagation modeling in the frequency domain using Python

NASA Astrophysics Data System (ADS)

Jo, Sang Hoon; Park, Min Jun; Ha, Wan Soo

2017-04-01

Python is a dynamic programming language adopted in many science and engineering areas. We used Python to simulate wave propagation in the frequency domain. We used the Pardiso matrix solver to solve the impedance matrix of the wave equation. Numerical examples shows that Python with numpy consumes longer time to construct the impedance matrix using the finite element method when compared with Fortran; however we could reduce the time significantly to be comparable to that of Fortran using a simple Numba decorator.

A review on the relationship between food structure, processing, and bioavailability.

PubMed

Sensoy, Ilkay

2014-01-01

This review highlights the effects of processing and food matrix on bioaccessibility and bioavailability of functional components. Human digestive system is reviewed as an element in bioavailability. Methods for bioaccessibility and bioavailability determination are described. Information about the location of functional compounds in the tissue is presented to portray the matrix information. Research data on the effects of food matrix and processing on bioaccessibility and bioavailability are summarized. Finally, trends in the development of functional component delivery systems are included.

The determination of elements in herbal teas and medicinal plant formulations and their tisanes.

PubMed

Pohl, Pawel; Dzimitrowicz, Anna; Jedryczko, Dominika; Szymczycha-Madeja, Anna; Welna, Maja; Jamroz, Piotr

2016-10-25

Elemental analysis of herbal teas and their tisanes is aimed at assessing their quality and safety in reference to specific food safety regulations and evaluating their nutritional value. This survey is dedicated to atomic spectroscopy and mass spectrometry element detection methods and sample preparation procedures used in elemental analysis of herbal teas and medicinal plant formulations. Referring to original works from the last 15 years, particular attention has been paid to tisane preparation, sample matrix decomposition, calibration and quality assurance of results in elemental analysis of herbal teas by different atomic and mass spectrometry methods. In addition, possible sources of elements in herbal teas and medicinal plant formulations have been discussed. Copyright © 2016 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pratap, Surender; Sarkar, Niladri, E-mail: niladri@pilani.bits-pilani.ac.in

Self-Consistent Quantum Method using Schrodinger-Poisson equations have been used for determining the Channel electron density of Nano-Scale MOSFETs for 6nm and 9nm thick channels. The 6nm thick MOSFET show the peak of the electron density at the middle where as the 9nm thick MOSFET shows the accumulation of the electrons at the oxide/semiconductor interface. The electron density in the channel is obtained from the diagonal elements of the density matrix; [ρ]=[1/(1+exp(β(H − μ)))] A Tridiagonal Hamiltonian Matrix [H] is constructed for the oxide/channel/oxide 1D structure for the dual gate MOSFET. This structure is discretized and Finite-Difference method is used formore » constructing the matrix equation. The comparison of these results which are obtained by Quantum methods are done with Semi-Classical methods.« less

DISSOLUTION OF URANIUM FUELS BY MONOOR DIFLUOROPHOSPHORIC ACID

DOEpatents

Johnson, R.; Horn, F.L.; Strickland, G.

1963-05-01

A method of dissolving and separating uranium from a uranium matrix fuel element by dissolving the uraniumcontaining matrix in monofluorophosphoric acid and/or difluorophosphoric acid at temperatures ranging from 150 to 275 un. Concent 85% C, thereafter neutralizing the solution to precipitate uranium solids, and converting the solids to uranium hexafluoride by treatment with a halogen trifluoride is presented. (AEC)

Research on numerical algorithms for large space structures

NASA Technical Reports Server (NTRS)

Denman, E. D.

1981-01-01

Numerical algorithms for analysis and design of large space structures are investigated. The sign algorithm and its application to decoupling of differential equations are presented. The generalized sign algorithm is given and its application to several problems discussed. The Laplace transforms of matrix functions and the diagonalization procedure for a finite element equation are discussed. The diagonalization of matrix polynomials is considered. The quadrature method and Laplace transforms is discussed and the identification of linear systems by the quadrature method investigated.

Resonant-state expansion for open optical systems: generalization to magnetic, chiral, and bi-anisotropic materials

NASA Astrophysics Data System (ADS)

Muljarov, E. A.; Weiss, T.

2018-05-01

The resonant-state expansion, a recently developed powerful method in electrodynamics, is generalized here for open optical systems containing magnetic, chiral, or bi-anisotropic materials. It is shown that the key matrix eigenvalue equation of the method remains the same, but the matrix elements of the perturbation now contain variations of the permittivity, permeability, and bi-anisotropy tensors. A general normalization of resonant states in terms of the electric and magnetic fields is presented.

Addressable test matrix for measuring analog transfer characteristics of test elements used for integrated process control and device evaluation

NASA Technical Reports Server (NTRS)

Buehler, Martin G. (Inventor)

1988-01-01

A set of addressable test structures, each of which uses addressing schemes to access individual elements of the structure in a matrix, is used to test the quality of a wafer before integrated circuits produced thereon are diced, packaged and subjected to final testing. The electrical characteristic of each element is checked and compared to the electrical characteristic of all other like elements in the matrix. The effectiveness of the addressable test matrix is in readily analyzing the electrical characteristics of the test elements and in providing diagnostic information.

On the Finite Element Implementation of the Generalized Method of Cells Micromechanics Constitutive Model

NASA Technical Reports Server (NTRS)

Wilt, T. E.

1995-01-01

The Generalized Method of Cells (GMC), a micromechanics based constitutive model, is implemented into the finite element code MARC using the user subroutine HYPELA. Comparisons in terms of transverse deformation response, micro stress and strain distributions, and required CPU time are presented for GMC and finite element models of fiber/matrix unit cell. GMC is shown to provide comparable predictions of the composite behavior and requires significantly less CPU time as compared to a finite element analysis of the unit cell. Details as to the organization of the HYPELA code are provided with the actual HYPELA code included in the appendix.

Characterization of Organic and Conventional Coffee Using Neutron Activation Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

E. A. De Nadai Fernandes; P. Bode; F. S. Tagliaferro

2000-11-12

Countries importing organic coffee are facing the difficulty of assessing the quality of the product to distinguish original organic coffee from other coffees, thereby eliminating possible fraud. Many analytical methods are matrix sensitive and require matrix-matching reference materials for validation, which are currently nonexistent. This work aims to establish the trace element characterization of organic and conventional Brazilian coffees and to establish correlations with the related soil and the type of fertilizer and agrochemicals applied. It was observed that the variability in element concentrations between the various types of coffee is not so large, which emphasizes the need for analyticalmore » methods of high accuracy, reproducibility, and a well-known uncertainty. Moreover, the analyses indicate that sometimes the coffee packages may contain some soil remnants.« less

Solution of free-boundary problems using finite-element/Newton methods and locally refined grids - Application to analysis of solidification microstructure

NASA Technical Reports Server (NTRS)

Tsiveriotis, K.; Brown, R. A.

1993-01-01

A new method is presented for the solution of free-boundary problems using Lagrangian finite element approximations defined on locally refined grids. The formulation allows for direct transition from coarse to fine grids without introducing non-conforming basis functions. The calculation of elemental stiffness matrices and residual vectors are unaffected by changes in the refinement level, which are accounted for in the loading of elemental data to the global stiffness matrix and residual vector. This technique for local mesh refinement is combined with recently developed mapping methods and Newton's method to form an efficient algorithm for the solution of free-boundary problems, as demonstrated here by sample calculations of cellular interfacial microstructure during directional solidification of a binary alloy.

Simulation-aided constitutive law development - Assessment of low triaxiality void nucleation models via extended finite element method

NASA Astrophysics Data System (ADS)

Zhao, Jifeng; Kontsevoi, Oleg Y.; Xiong, Wei; Smith, Jacob

2017-05-01

In this work, a multi-scale computational framework has been established in order to investigate, refine and validate constitutive behaviors in the context of the Gurson-Tvergaard-Needleman (GTN) void mechanics model. The eXtended Finite Element Method (XFEM) has been implemented in order to (1) develop statistical volume elements (SVE) of a matrix material with subscale inclusions and (2) to simulate the multi-void nucleation process due to interface debonding between the matrix and particle phases. Our analyses strongly suggest that under low stress triaxiality the nucleation rate of the voids f˙ can be well described by a normal distribution function with respect to the matrix equivalent stress (σe), as opposed to that proposed (σbar + 1 / 3σkk) in the original form of the single void GTN model. The modified form of the multi-void nucleation model has been validated based on a series of numerical experiments with different loading conditions, material properties, particle shape/size and spatial distributions. The utilization of XFEM allows for an invariant finite element mesh to represent varying microstructures, which implies suitability for drastically reducing complexity in generating the finite element discretizations for large stochastic arrays of microstructure configurations. The modified form of the multi-void nucleation model is further applied to study high strength steels by incorporating first principles calculations. The necessity of using a phenomenological interface separation law has been fully eliminated and replaced by the physics-based cohesive relationship obtained from Density Functional Theory (DFT) calculations in order to provide an accurate macroscopic material response.

Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method.

PubMed

Kurashige, Yuki; Nakajima, Takahito; Sato, Takeshi; Hirao, Kimihiko

2010-06-28

We propose an efficient method for evaluating the Coulomb force in the Gaussian and finite-element Coulomb (GFC) method, which is a linear-scaling approach for evaluating the Coulomb matrix and energy in large molecular systems. The efficient evaluation of the analytical gradient in the GFC is not straightforward as well as the evaluation of the energy because the SCF procedure with the Coulomb matrix does not give a variational solution for the Coulomb energy. Thus, an efficient approximate method is alternatively proposed, in which the Coulomb potential is expanded in the Gaussian and finite-element auxiliary functions as done in the GFC. To minimize the error in the gradient not just in the energy, the derived functions of the original auxiliary functions of the GFC are used additionally for the evaluation of the Coulomb gradient. In fact, the use of the derived functions significantly improves the accuracy of this approach. Although these additional auxiliary functions enlarge the size of the discretized Poisson equation and thereby increase the computational cost, it maintains the near linear scaling as the GFC and does not affects the overall efficiency of the GFC approach.

Simulation of Low Velocity Impact Induced Inter- and Intra-Laminar Damage of Composite Beams Based on XFEM

NASA Astrophysics Data System (ADS)

Sun, Wei; Guan, Zhidong; Li, Zengshan

2017-12-01

In this paper, the Inter-Fiber Fracture (IFF) criterion of Puck failure theory based on the eXtended Finite Element Method (XFEM) was implemented in ABAQUS code to predict the intra-laminar crack initiation of unidirectional (UD) composite laminate. The transverse crack path in the matrix can be simulated accurately by the presented method. After the crack initiation, the propagation of the crack is simulated by Cohesive Zoom Model (CZM), in which the displacement discontinuities and stress concentration caused by matrix crack is introduced into the finite element (FE) model. Combined with the usage of the enriched element interface, which can be used to simulate the inter-laminar delamination crack, the Low Velocity Impact (LVI) induced damage of UD composite laminate beam with a typical stacking of composite laminates [05/903]S is studied. A complete crack initiation and propagation process was simulated and the numerical results obtained by the XFEM are consistent with the experimental results.

Design of a Matrix Transducer for Three-Dimensional Second Harmonic Transesophageal Echocardiography

NASA Astrophysics Data System (ADS)

Blaak, Sandra; van Neer, Paul L. M. J.; Prins, Christian; Bosch, Johan G.; Lancée, Charles T.; van der Steen, Antonius F. W.; de Jong, Nico

Three-dimensional (3D) echocardiography visualizes the 3D anatomy and function of the heart. For 3D imaging an ultrasound matrix of several thousands of elements is required. To connect the matrix to an external imaging system, smart signal processing with integrated circuitry in the tip of the TEE probe is required for channel reduction. To separate the low voltage integrated receive circuitry from the high voltages required for transmission, our design features a separate transmit and receive subarray. In this study we focus on the transmit subarray. A 3D model of an individual element was developed using the finite element method (FEM). The model was validated by laser interferometer and acoustic measurements. Measurement and simulations matched well. The maximum transmit transfer was 3 nm/V at 2.4 MHz for both the FEM simulation of an element in air and the laser interferometer measurement. The FEM simulation of an element in water resulted in a maximum transfer of 43 kPa/V at 2.3 MHz and the acoustic measurement in 55 kPa/V at 2.5 MHz. The maximum pressure is ~1 MPa/120Vpp, which is sufficient pressure for second harmonic imaging. The proposed design of the transmit subarray is suitable for its role in a 3D 2H TEE probe.

Trace elements determination in seawater by ICP-MS with on-line pre-concentration on a Chelex-100 column using a ‘standard’ instrument setup.

PubMed Central

Søndergaard, Jens; Asmund, Gert; Larsen, Martin M.

2015-01-01

Trace element determination in seawater is analytically challenging due to the typically very low concentrations of the trace elements and the potential interference of the salt matrix. A common way to address the challenge is to pre-concentrate the trace elements on a chelating resin, then rinse the matrix elements from the resin and subsequently elute and detect the trace elements using inductively coupled plasma mass spectrometry (ICP-MS). This technique typically involves time-consuming pre-treatment of the samples for ‘off-line’ analyses or complicated sample introduction systems involving several pumps and valves for ‘on-line’ analyses. As an alternative, the following method offers a simple method for ‘on-line’ analyses of seawater by ICP-MS. As opposed to previous methods, excess seawater was pumped through the nebulizer of the ICP-MS during the pre-concentration step but the gas flow was adjusted so that the seawater was pumped out as waste without being sprayed into the instrument. Advantages of the method include: • Simple and convenient analyses of seawater requiring no changes to the ‘standard’ sample introduction system except from a resin-filled micro-column connected to the sample tube. The ‘standard’ sample introduction system refers to that used for routine digest-solution analyses of biota and sediment by ICP-MS using only one peristaltic pump; and • Accurate determination of the elements V, Mn, Co, Ni, Cu, Zn, Cd and Pb in a range of different seawater matrices verified by participation in 6 successive rounds of the international laboratory intercalibration program QUASIMEME. PMID:26258050

Spectral Interferences Manganese (Mn) - Europium (Eu) Lines in X-Ray Fluorescence Spectrometry Spectrum

NASA Astrophysics Data System (ADS)

Tanc, Beril; Kaya, Mustafa; Gumus, Lokman; Kumral, Mustafa

2016-04-01

X-ray fluorescence (XRF) spectrometry is widely used for quantitative and semi quantitative analysis of many major, minor and trace elements in geological samples. Some advantages of the XRF method are; non-destructive sample preparation, applicability for powder, solid, paste and liquid samples and simple spectrum that are independent from chemical state. On the other hand, there are some disadvantages of the XRF methods such as poor sensitivity for low atomic number elements, matrix effect (physical matrix effects, such as fine versus course grain materials, may impact XRF performance) and interference effect (the spectral lines of elements may overlap distorting results for one or more elements). Especially, spectral interferences are very significant factors for accurate results. In this study, semi-quantitative analyzed manganese (II) oxide (MnO, 99.99%) was examined. Samples were pelleted and analyzed with XRF spectrometry (Bruker S8 Tiger). Unexpected peaks were obtained at the side of the major Mn peaks. Although sample does not contain Eu element, in results 0,3% Eu2O3 was observed. These result can occur high concentration of MnO and proximity of Mn and Eu lines. It can be eliminated by using correction equation or Mn concentration can confirm with other methods (such as Atomic absorption spectroscopy). Keywords: Spectral Interferences; Manganese (Mn); Europium (Eu); X-Ray Fluorescence Spectrometry Spectrum.

Multichannel-Hadamard calibration of high-order adaptive optics systems.

PubMed

Guo, Youming; Rao, Changhui; Bao, Hua; Zhang, Ang; Zhang, Xuejun; Wei, Kai

2014-06-02

we present a novel technique of calibrating the interaction matrix for high-order adaptive optics systems, called the multichannel-Hadamard method. In this method, the deformable mirror actuators are firstly divided into a series of channels according to their coupling relationship, and then the voltage-oriented Hadamard method is applied to these channels. Taking the 595-element adaptive optics system as an example, the procedure is described in detail. The optimal channel dividing is discussed and tested by numerical simulation. The proposed method is also compared with the voltage-oriented Hadamard only method and the multichannel only method by experiments. Results show that the multichannel-Hadamard method can produce significant improvement on interaction matrix measurement.

Mesh refinement in finite element analysis by minimization of the stiffness matrix trace

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.

1989-01-01

Most finite element packages provide means to generate meshes automatically. However, the user is usually confronted with the problem of not knowing whether the mesh generated is appropriate for the problem at hand. Since the accuracy of the finite element results is mesh dependent, mesh selection forms a very important step in the analysis. Indeed, in accurate analyses, meshes need to be refined or rezoned until the solution converges to a value so that the error is below a predetermined tolerance. A-posteriori methods use error indicators, developed by using the theory of interpolation and approximation theory, for mesh refinements. Some use other criterions, such as strain energy density variation and stress contours for example, to obtain near optimal meshes. Although these methods are adaptive, they are expensive. Alternatively, a priori methods, until now available, use geometrical parameters, for example, element aspect ratio. Therefore, they are not adaptive by nature. An adaptive a-priori method is developed. The criterion is that the minimization of the trace of the stiffness matrix with respect to the nodal coordinates, leads to a minimization of the potential energy, and as a consequence provide a good starting mesh. In a few examples the method is shown to provide the optimal mesh. The method is also shown to be relatively simple and amenable to development of computer algorithms. When the procedure is used in conjunction with a-posteriori methods of grid refinement, it is shown that fewer refinement iterations and fewer degrees of freedom are required for convergence as opposed to when the procedure is not used. The mesh obtained is shown to have uniform distribution of stiffness among the nodes and elements which, as a consequence, leads to uniform error distribution. Thus the mesh obtained meets the optimality criterion of uniform error distribution.

Characterizing microstructural features of biomedical samples by statistical analysis of Mueller matrix images

NASA Astrophysics Data System (ADS)

He, Honghui; Dong, Yang; Zhou, Jialing; Ma, Hui

2017-03-01

As one of the salient features of light, polarization contains abundant structural and optical information of media. Recently, as a comprehensive description of polarization property, the Mueller matrix polarimetry has been applied to various biomedical studies such as cancerous tissues detections. In previous works, it has been found that the structural information encoded in the 2D Mueller matrix images can be presented by other transformed parameters with more explicit relationship to certain microstructural features. In this paper, we present a statistical analyzing method to transform the 2D Mueller matrix images into frequency distribution histograms (FDHs) and their central moments to reveal the dominant structural features of samples quantitatively. The experimental results of porcine heart, intestine, stomach, and liver tissues demonstrate that the transformation parameters and central moments based on the statistical analysis of Mueller matrix elements have simple relationships to the dominant microstructural properties of biomedical samples, including the density and orientation of fibrous structures, the depolarization power, diattenuation and absorption abilities. It is shown in this paper that the statistical analysis of 2D images of Mueller matrix elements may provide quantitative or semi-quantitative criteria for biomedical diagnosis.

A combined finite element-boundary element formulation for solution of axially symmetric bodies

NASA Technical Reports Server (NTRS)

Collins, Jeffrey D.; Volakis, John L.

1991-01-01

A new method is presented for the computation of electromagnetic scattering from axially symmetric bodies. To allow the simulation of inhomogeneous cross sections, the method combines the finite element and boundary element techniques. Interior to a fictitious surface enclosing the scattering body, the finite element method is used which results in a sparce submatrix, whereas along the enclosure the Stratton-Chu integral equation is enforced. By choosing the fictitious enclosure to be a right circular cylinder, most of the resulting boundary integrals are convolutional and may therefore be evaluated via the FFT with which the system is iteratively solved. In view of the sparce matrix associated with the interior fields, this reduces the storage requirement of the entire system to O(N) making the method attractive for large scale computations. The details of the corresponding formulation and its numerical implementation are described.

An extended GS method for dense linear systems

NASA Astrophysics Data System (ADS)

Niki, Hiroshi; Kohno, Toshiyuki; Abe, Kuniyoshi

2009-09-01

Davey and Rosindale [K. Davey, I. Rosindale, An iterative solution scheme for systems of boundary element equations, Internat. J. Numer. Methods Engrg. 37 (1994) 1399-1411] derived the GSOR method, which uses an upper triangular matrix [Omega] in order to solve dense linear systems. By applying functional analysis, the authors presented an expression for the optimum [Omega]. Moreover, Davey and Bounds [K. Davey, S. Bounds, A generalized SOR method for dense linear systems of boundary element equations, SIAM J. Comput. 19 (1998) 953-967] also introduced further interesting results. In this note, we employ a matrix analysis approach to investigate these schemes, and derive theorems that compare these schemes with existing preconditioners for dense linear systems. We show that the convergence rate of the Gauss-Seidel method with preconditioner PG is superior to that of the GSOR method. Moreover, we define some splittings associated with the iterative schemes. Some numerical examples are reported to confirm the theoretical analysis. We show that the EGS method with preconditioner produces an extremely small spectral radius in comparison with the other schemes considered.

Matrix Effects on Boron Containing Materials due to Laser Ablation Molecular Isotopic Spectrometry (LAMIS)

NASA Astrophysics Data System (ADS)

Brown, Staci R.; Akpovo, Charlemagne A.; Martinez, Jorge; Ford, Alan; Herbert, Kenley; Johnson, Lewis

2014-03-01

Laser Induced Breakdown Spectroscopy (LIBS) is a spectroscopic technique that is used for the qualitative and quantitative analysis of materials in the liquid, solid, or gas phase. LIBS can also be used for the detection of isotopic shifts in atomic and diatomic species via Laser-Ablation Molecular Isotopic Spectroscopy (LAMIS). However, any additional elements that are entrained into the plasma other than the element of interest, can affect the extent of ablation and quality of spectra and hence, potentially obscure or aid in the relative abundance assessment for a given element. To address the importance of matrix effects, the isotopic analysis of boron obtained from boron oxide (BO) emission originating from different boron-containing compounds, such as boron nitride (BN), boric acid (H3BO3) , and borax (Na2B4O710H2O), via LIBS has been performed here. Each of these materials has different physical properties and elemental composition in order to illustrate possible challenges for the LAMIS method. A calibration-free model similar to that for the original LAMIS work is used to determine properties of the plasma as the matrix is changed. DTRA

Forecasting extinction risk with nonstationary matrix models.

PubMed

Gotelli, Nicholas J; Ellison, Aaron M

2006-02-01

Matrix population growth models are standard tools for forecasting population change and for managing rare species, but they are less useful for predicting extinction risk in the face of changing environmental conditions. Deterministic models provide point estimates of lambda, the finite rate of increase, as well as measures of matrix sensitivity and elasticity. Stationary matrix models can be used to estimate extinction risk in a variable environment, but they assume that the matrix elements are randomly sampled from a stationary (i.e., non-changing) distribution. Here we outline a method for using nonstationary matrix models to construct realistic forecasts of population fluctuation in changing environments. Our method requires three pieces of data: (1) field estimates of transition matrix elements, (2) experimental data on the demographic responses of populations to altered environmental conditions, and (3) forecasting data on environmental drivers. These three pieces of data are combined to generate a series of sequential transition matrices that emulate a pattern of long-term change in environmental drivers. Realistic estimates of population persistence and extinction risk can be derived from stochastic permutations of such a model. We illustrate the steps of this analysis with data from two populations of Sarracenia purpurea growing in northern New England. Sarracenia purpurea is a perennial carnivorous plant that is potentially at risk of local extinction because of increased nitrogen deposition. Long-term monitoring records or models of environmental change can be used to generate time series of driver variables under different scenarios of changing environments. Both manipulative and natural experiments can be used to construct a linking function that describes how matrix parameters change as a function of the environmental driver. This synthetic modeling approach provides quantitative estimates of extinction probability that have an explicit mechanistic basis.

Computation of parton distributions from the quasi-PDF approach at the physical point

NASA Astrophysics Data System (ADS)

Alexandrou, Constantia; Bacchio, Simone; Cichy, Krzysztof; Constantinou, Martha; Hadjiyiannakou, Kyriakos; Jansen, Karl; Koutsou, Giannis; Scapellato, Aurora; Steffens, Fernanda

2018-03-01

We show the first results for parton distribution functions within the proton at the physical pion mass, employing the method of quasi-distributions. In particular, we present the matrix elements for the iso-vector combination of the unpolarized, helicity and transversity quasi-distributions, obtained with Nf = 2 twisted mass cloverimproved fermions and a proton boosted with momentum |p→| = 0.83 GeV. The momentum smearing technique has been applied to improve the overlap with the proton boosted state. Moreover, we present the renormalized helicity matrix elements in the RI' scheme, following the non-perturbative renormalization prescription recently developed by our group.

Coulomb matrix elements in multi-orbital Hubbard models.

PubMed

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

Detection of Matrix Crack Density of CFRP using an Electrical Potential Change Method with Multiple Probes

NASA Astrophysics Data System (ADS)

Todoroki, Akira; Omagari, Kazuomi

Carbon Fiber Reinforced Plastic (CFRP) laminates are adopted for fuel tank structures of next generation space rockets or automobiles. Matrix cracks may cause fuel leak or trigger fatigue damage. A monitoring system of the matrix crack density is required. The authors have developed an electrical resistance change method for the monitoring of delamination cracks in CFRP laminates. Reinforcement fibers are used as a self-sensing system. In the present study, the electric potential method is adopted for matrix crack density monitoring. Finite element analysis (FEA) was performed to investigate the possibility of monitoring matrix crack density using multiple electrodes mounted on a single surface of a specimen. The FEA reveals the matrix crack density increases electrical resistance for a target segment between electrodes. Experimental confirmation was also performed using cross-ply laminates. Eight electrodes were mounted on a single surface of a specimen using silver paste after polishing of the specimen surface with sandpaper. The two outermost electrodes applied electrical current, and the inner electrodes measured electric voltage changes. The slope of electrical resistance during reloading is revealed to be an appropriate index for the detection of matrix crack density.

Nonlinear earthquake analysis of reinforced concrete frames with fiber and Bernoulli-Euler beam-column element.

PubMed

Karaton, Muhammet

2014-01-01

A beam-column element based on the Euler-Bernoulli beam theory is researched for nonlinear dynamic analysis of reinforced concrete (RC) structural element. Stiffness matrix of this element is obtained by using rigidity method. A solution technique that included nonlinear dynamic substructure procedure is developed for dynamic analyses of RC frames. A predicted-corrected form of the Bossak-α method is applied for dynamic integration scheme. A comparison of experimental data of a RC column element with numerical results, obtained from proposed solution technique, is studied for verification the numerical solutions. Furthermore, nonlinear cyclic analysis results of a portal reinforced concrete frame are achieved for comparing the proposed solution technique with Fibre element, based on flexibility method. However, seismic damage analyses of an 8-story RC frame structure with soft-story are investigated for cases of lumped/distributed mass and load. Damage region, propagation, and intensities according to both approaches are researched.

A tire contact solution technique

NASA Technical Reports Server (NTRS)

Tielking, J. T.

1983-01-01

An efficient method for calculating the contact boundary and interfacial pressure distribution was developed. This solution technique utilizes the discrete Fourier transform to establish an influence coefficient matrix for the portion of the pressurized tire surface that may be in the contact region. This matrix is used in a linear algebra algorithm to determine the contact boundary and the array of forces within the boundary that are necessary to hold the tire in equilibrium against a specified contact surface. The algorithm also determines the normal and tangential displacements of those points on the tire surface that are included in the influence coefficient matrix. Displacements within and outside the contact region are calculated. The solution technique is implemented with a finite-element tire model that is based on orthotropic, nonlinear shell of revolution elements which can respond to nonaxisymmetric loads. A sample contact solution is presented.

Finite element analysis of damped vibrations of laminated composite plates

NASA Astrophysics Data System (ADS)

Hu, Baogang

1992-11-01

Damped free vibrations of composite laminates are subjected to macromechanical analysis. Two models are developed: a viscoelastic damping model and a specific damping capacity model. The important symmetry property of the damping matrix is retained in both models. A modified modal strain energy method is proposed for evaluating modal damping in the viscoelastic model using a real (instead of a complex) eigenvalue problem solution. Numerical studies of multidegree of freedom systems are conducted to illustrate the improved accuracy of the method compared to the modal strain energy method. The experimental data reported in the literature for damped free vibrations in both polymer matrix and metal matrix composites were used in finite element analysis to test and compare the damping models. The natural frequencies and modal damping were obtained using both the viscoelastic and specific models. Results from both models are in satisfactory agreement with experimental data. Both models were found to be reasonably accurate for systems with low damping. Parametric studies were conducted to examine the effects on damping of the side to thickness ratio, the principal moduli ratio, the total number of layers, the ply angle, and the boundary conditions.

Quantitative methods for compensation of matrix effects and self-absorption in Laser Induced Breakdown Spectroscopy signals of solids

NASA Astrophysics Data System (ADS)

Takahashi, Tomoko; Thornton, Blair

2017-12-01

This paper reviews methods to compensate for matrix effects and self-absorption during quantitative analysis of compositions of solids measured using Laser Induced Breakdown Spectroscopy (LIBS) and their applications to in-situ analysis. Methods to reduce matrix and self-absorption effects on calibration curves are first introduced. The conditions where calibration curves are applicable to quantification of compositions of solid samples and their limitations are discussed. While calibration-free LIBS (CF-LIBS), which corrects matrix effects theoretically based on the Boltzmann distribution law and Saha equation, has been applied in a number of studies, requirements need to be satisfied for the calculation of chemical compositions to be valid. Also, peaks of all elements contained in the target need to be detected, which is a bottleneck for in-situ analysis of unknown materials. Multivariate analysis techniques are gaining momentum in LIBS analysis. Among the available techniques, principal component regression (PCR) analysis and partial least squares (PLS) regression analysis, which can extract related information to compositions from all spectral data, are widely established methods and have been applied to various fields including in-situ applications in air and for planetary explorations. Artificial neural networks (ANNs), where non-linear effects can be modelled, have also been investigated as a quantitative method and their applications are introduced. The ability to make quantitative estimates based on LIBS signals is seen as a key element for the technique to gain wider acceptance as an analytical method, especially in in-situ applications. In order to accelerate this process, it is recommended that the accuracy should be described using common figures of merit which express the overall normalised accuracy, such as the normalised root mean square errors (NRMSEs), when comparing the accuracy obtained from different setups and analytical methods.

Measurement and calibration of differential Mueller matrix of distributed targets

NASA Technical Reports Server (NTRS)

Sarabandi, Kamal; Oh, Yisok; Ulaby, Fawwaz T.

1992-01-01

A rigorous method for calibrating polarimetric backscatter measurements of distributed targets is presented. By characterizing the radar distortions over the entire mainlobe of the antenna, the differential Mueller matrix is derived from the measured scattering matrices with a high degree of accuracy. It is shown that the radar distortions can be determined by measuring the polarimetric response of a metallic sphere over the main lobe of the antenna. Comparison of results obtained with the new algorithm with the results derived from the old calibration method show that the discrepancy between the two methods is less than 1 dB for the backscattering coefficients. The discrepancy is more drastic for the phase-difference statistics, indicating that removal of the radar distortions from the cross products of the scattering matrix elements cannot be accomplished with the traditional calibration methods.

A Dual Super-Element Domain Decomposition Approach for Parallel Nonlinear Finite Element Analysis

NASA Astrophysics Data System (ADS)

Jokhio, G. A.; Izzuddin, B. A.

2015-05-01

This article presents a new domain decomposition method for nonlinear finite element analysis introducing the concept of dual partition super-elements. The method extends ideas from the displacement frame method and is ideally suited for parallel nonlinear static/dynamic analysis of structural systems. In the new method, domain decomposition is realized by replacing one or more subdomains in a "parent system," each with a placeholder super-element, where the subdomains are processed separately as "child partitions," each wrapped by a dual super-element along the partition boundary. The analysis of the overall system, including the satisfaction of equilibrium and compatibility at all partition boundaries, is realized through direct communication between all pairs of placeholder and dual super-elements. The proposed method has particular advantages for matrix solution methods based on the frontal scheme, and can be readily implemented for existing finite element analysis programs to achieve parallelization on distributed memory systems with minimal intervention, thus overcoming memory bottlenecks typically faced in the analysis of large-scale problems. Several examples are presented in this article which demonstrate the computational benefits of the proposed parallel domain decomposition approach and its applicability to the nonlinear structural analysis of realistic structural systems.

Detection of LSB+/-1 steganography based on co-occurrence matrix and bit plane clipping

NASA Astrophysics Data System (ADS)

Abolghasemi, Mojtaba; Aghaeinia, Hassan; Faez, Karim; Mehrabi, Mohammad Ali

2010-01-01

Spatial LSB+/-1 steganography changes smooth characteristics between adjoining pixels of the raw image. We present a novel steganalysis method for LSB+/-1 steganography based on feature vectors derived from the co-occurrence matrix in the spatial domain. We investigate how LSB+/-1 steganography affects the bit planes of an image and show that it changes more least significant bit (LSB) planes of it. The co-occurrence matrix is derived from an image in which some of its most significant bit planes are clipped. By this preprocessing, in addition to reducing the dimensions of the feature vector, the effects of embedding were also preserved. We compute the co-occurrence matrix in different directions and with different dependency and use the elements of the resulting co-occurrence matrix as features. This method is sensitive to the data embedding process. We use a Fisher linear discrimination (FLD) classifier and test our algorithm on different databases and embedding rates. We compare our scheme with the current LSB+/-1 steganalysis methods. It is shown that the proposed scheme outperforms the state-of-the-art methods in detecting the LSB+/-1 steganographic method for grayscale images.

An orientation soil survey at the Pebble Cu-Au-Mo porphyry deposit, Alaska

USGS Publications Warehouse

Smith, Steven M.; Eppinger, Robert G.; Fey, David L.; Kelley, Karen D.; Giles, S.A.

2009-01-01

Soil samples were collected in 2007 and 2008 along three traverses across the giant Pebble Cu-Au-Mo porphyry deposit. Within each soil pit, four subsamples were collected following recommended protocols for each of ten commonly-used and proprietary leach/digestion techniques. The significance of geochemical patterns generated by these techniques was classified by visual inspection of plots showing individual element concentration by each analytical method along the 2007 traverse. A simple matrix by element versus method, populated with a value based on the significance classification, provides a method for ranking the utility of methods and elements at this deposit. The interpretation of a complex multi-element dataset derived from multiple analytical techniques is challenging. An example of vanadium results from a single leach technique is used to illustrate the several possible interpretations of the data.

Transfer-Matrix Method for Solving the Spin 1/2 Antiferromagnetic Heisenberg Chain

NASA Astrophysics Data System (ADS)

Garcia-Bach, M. A.; Klein, D. J.; Valenti, R.

Following the discovery of high Tc superconductivity in the copper oxides, there has been a great deal of interest in the RVB wave function proposed by Anderson [1]. As a warm-up exercise we have considered a valence-bond wave function for the one dimensional spin-1/2 Heisenberg chain. The main virtue of our work is to propose a new variational singlet wavefunction which is almost analytically tractable by a transfer-matrix technique. We have obtained the ground state energy for finite as well as infinite chains, in good agreement with exact results. Correlation functions, excited states, and the effects of other interactions (e.g., spin-Peierls) are also accessible within this scheme [2]. Since the ground state of the chain is known to be a singlet (Lieb & Mattis [3]), we write the appropriate wave function as a superposition of valence-bond singlets, |ψ > =∑ limits k C k | k>, where |k> is a spin configuration obtained by pairing all spins into singlet pairs, in a way which is common in valence-bond calculations of large molecules. As in that case, each configuration, |k>, can be represented by a Rümer diagram, with directed bonds connecting each pair of spins on the chain. The ck's are variational co-efficients, the form of which is determined as follows: Each singlet configuration (Rümer diagram) is divided into "zones", a "zone" corresponding to the region between two consecutive sites. Each zone is indexed by its distance from the end of the chain and by the number of bonds crossing it. Our procedure assigns a variational parameter, xij, to the jth zone, when crossed by i bonds. The resulting wavefunction for an N-site chain is written as |ψ > =∑ limits k ∏ M limits { i =1} ∏ { N -1}limits { j =1} X ij{ m ij (k)} | k> where mij(k) equals 1 when zone j is crossed by i bonds and zero otherwise. To make the calculation tractable we reduce the number of variational parameters by disallowing configurations with bonds connecting any two sites separated by more than 2M lattice points. (For simplicity, we have limited ourselves to M=3, but the scheme can be used for any M). With the simple ansatz, matrix elements can be calculated by a transfer-matrix method. To understand the transfer-matrix method note that since only local zone parameters appear in the description of each state |k>, matrix elements and overlaps, < k| bar S q bar S{ q +1} |k'> and , are completely specified by a small number of "local states" associated with each zone. Within a given zone a local state is defined by (i) the number of bonds crossing the zone and (ii), by whether the bonds originate from the initial (|k>) or final (|k'>) state. It is then easy to see that "local states" of consecutive zones are connected by a 15 × 15 transfer matrix (for the case M=3). Furthermore, the overlap matrix element can be written as a product of transfer-matrices associated with each zone of the chain. When calculating matrix elements of the Hamiltonian, an additional matrix, U, must be defined, to represent the particular zone involving the two spins connected by the Heisenberg interaction. The relevant details as well as the comparison with exact results will be given elsewhere. We are planning to ultimately apply this method to the two dimensional case, and hope to include the effects of holes.

A comparative study of methods for describing non-adiabatic coupling: diabatic representation of the 1Sigma +/1Pi HOH and HHO conical intersections

NASA Astrophysics Data System (ADS)

Dobbyn, Abigail J.; Knowles, Peter J.

A number of established techniques for obtaining diabatic electronic states in small molecules are critically compared for the example of the X and B states in the water molecule, which contribute to the two lowest-energy conical intersections. Integration of the coupling matrix elements and analysis of configuration mixing coefficients both produce reliable diabatic states globally. Methods relying on diagonalization of dipole moment and angular momentum operators are shown to fail in large regions of coordinate space. However, the use of transition angular momentum matrix elements involving the A state, which is degenerate with B at the conical intersections, is successful globally, provided that an appropriate choice of coordinates is made. Long range damping of non-adiabatic coupling to give correct asymptotic mixing angles also is investigated.

Parallel computation using boundary elements in solid mechanics

NASA Technical Reports Server (NTRS)

Chien, L. S.; Sun, C. T.

1990-01-01

The inherent parallelism of the boundary element method is shown. The boundary element is formulated by assuming the linear variation of displacements and tractions within a line element. Moreover, MACSYMA symbolic program is employed to obtain the analytical results for influence coefficients. Three computational components are parallelized in this method to show the speedup and efficiency in computation. The global coefficient matrix is first formed concurrently. Then, the parallel Gaussian elimination solution scheme is applied to solve the resulting system of equations. Finally, and more importantly, the domain solutions of a given boundary value problem are calculated simultaneously. The linear speedups and high efficiencies are shown for solving a demonstrated problem on Sequent Symmetry S81 parallel computing system.

A least-squares finite element method for 3D incompressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Lin, T. L.; Hou, Lin-Jun; Povinelli, Louis A.

1993-01-01

The least-squares finite element method (LSFEM) based on the velocity-pressure-vorticity formulation is applied to three-dimensional steady incompressible Navier-Stokes problems. This method can accommodate equal-order interpolations, and results in symmetric, positive definite algebraic system. An additional compatibility equation, i.e., the divergence of vorticity vector should be zero, is included to make the first-order system elliptic. The Newton's method is employed to linearize the partial differential equations, the LSFEM is used to obtain discretized equations, and the system of algebraic equations is solved using the Jacobi preconditioned conjugate gradient method which avoids formation of either element or global matrices (matrix-free) to achieve high efficiency. The flow in a half of 3D cubic cavity is calculated at Re = 100, 400, and 1,000 with 50 x 52 x 25 trilinear elements. The Taylor-Gortler-like vortices are observed at Re = 1,000.

Method of fabrication of display pixels driven by silicon thin film transistors

DOEpatents

Carey, Paul G.; Smith, Patrick M.

1999-01-01

Display pixels driven by silicon thin film transistors are fabricated on plastic substrates for use in active matrix displays, such as flat panel displays. The process for forming the pixels involves a prior method for forming individual silicon thin film transistors on low-temperature plastic substrates. Low-temperature substrates are generally considered as being incapable of withstanding sustained processing temperatures greater than about 200.degree. C. The pixel formation process results in a complete pixel and active matrix pixel array. A pixel (or picture element) in an active matrix display consists of a silicon thin film transistor (TFT) and a large electrode, which may control a liquid crystal light valve, an emissive material (such as a light emitting diode or LED), or some other light emitting or attenuating material. The pixels can be connected in arrays wherein rows of pixels contain common gate electrodes and columns of pixels contain common drain electrodes. The source electrode of each pixel TFT is connected to its pixel electrode, and is electrically isolated from every other circuit element in the pixel array.

Discharging a DC bus capacitor of an electrical converter system

DOEpatents

Kajouke, Lateef A; Perisic, Milun; Ransom, Ray M

2014-10-14

A system and method of discharging a bus capacitor of a bidirectional matrix converter of a vehicle are presented here. The method begins by electrically shorting the AC interface of the converter after an AC energy source is disconnected from the AC interface. The method continues by arranging a plurality of switching elements of a second energy conversion module into a discharge configuration to establish an electrical current path from a first terminal of an isolation module, through an inductive element, and to a second terminal of the isolation module. The method also modulates a plurality of switching elements of a first energy conversion module, while maintaining the discharge configuration of the second energy conversion module, to at least partially discharge a DC bus capacitor.

Evaluation of orbits with incomplete knowledge of the mathematical expectancy and the matrix of covariation of errors

NASA Technical Reports Server (NTRS)

Bakhshiyan, B. T.; Nazirov, R. R.; Elyasberg, P. E.

1980-01-01

The problem of selecting the optimal algorithm of filtration and the optimal composition of the measurements is examined assuming that the precise values of the mathematical expectancy and the matrix of covariation of errors are unknown. It is demonstrated that the optimal algorithm of filtration may be utilized for making some parameters more precise (for example, the parameters of the gravitational fields) after preliminary determination of the elements of the orbit by a simpler method of processing (for example, the method of least squares).

Real-Time Parameter Estimation Method Applied to a MIMO Process and its Comparison with an Offline Identification Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaplanoglu, Erkan; Safak, Koray K.; Varol, H. Selcuk

2009-01-12

An experiment based method is proposed for parameter estimation of a class of linear multivariable systems. The method was applied to a pressure-level control process. Experimental time domain input/output data was utilized in a gray-box modeling approach. Prior knowledge of the form of the system transfer function matrix elements is assumed to be known. Continuous-time system transfer function matrix parameters were estimated in real-time by the least-squares method. Simulation results of experimentally determined system transfer function matrix compare very well with the experimental results. For comparison and as an alternative to the proposed real-time estimation method, we also implemented anmore » offline identification method using artificial neural networks and obtained fairly good results. The proposed methods can be implemented conveniently on a desktop PC equipped with a data acquisition board for parameter estimation of moderately complex linear multivariable systems.« less

A colinear backscattering Mueller matrix microscope for reflection Muller matrix imaging

NASA Astrophysics Data System (ADS)

Chen, Zhenhua; Yao, Yue; Zhu, Yuanhuan; Ma, Hui

2018-02-01

In a recent attempt, we developed a colinear backscattering Mueller matrix microscope by adding polarization state generator (PSG) and polarization state analyzer (PSA) into the illumination and detection optical paths of a commercial metallurgical microscope. It is found that specific efforts have to be made to reduce the artifacts due to the intrinsic residual polarizations of the optical system, particularly the dichroism due to the 45 degrees beam splitter. In this paper, we present a new calibration method based on numerical reconstruction of the instrument matrix to remove the artifacts introduced by beam splitter. Preliminary tests using a mirror as a standard sample show that the maximum Muller matrix element error of the colinear backscattering Muller matrix microscope can be reduced to a few percent.

Revisiting the comparison between the Shack-Hartmann and the pyramid wavefront sensors via the Fisher information matrix.

PubMed

Plantet, C; Meimon, S; Conan, J-M; Fusco, T

2015-11-02

Exoplanet direct imaging with large ground based telescopes requires eXtreme Adaptive Optics that couples high-order adaptive optics and coronagraphy. A key element of such systems is the high-order wavefront sensor. We study here several high-order wavefront sensing approaches, and more precisely compare their sensitivity to noise. Three techniques are considered: the classical Shack-Hartmann sensor, the pyramid sensor and the recently proposed LIFTed Shack-Hartmann sensor. They are compared in a unified framework based on precise diffractive models and on the Fisher information matrix, which conveys the information present in the data whatever the estimation method. The diagonal elements of the inverse of the Fisher information matrix, which we use as a figure of merit, are similar to noise propagation coefficients. With these diagonal elements, so called "Fisher coefficients", we show that the LIFTed Shack-Hartmann and pyramid sensors outperform the classical Shack-Hartmann sensor. In photon noise regime, the LIFTed Shack-Hartmann and modulated pyramid sensors obtain a similar overall noise propagation. The LIFTed Shack-Hartmann sensor however provides attractive noise properties on high orders.

Buckling Analysis of Angle-ply Composite and Sandwich Plates by Combination of Geometric Stiffness Matrix

NASA Astrophysics Data System (ADS)

Zhen, Wu; Wanji, Chen

2007-05-01

Buckling response of angle-ply laminated composite and sandwich plates are analyzed using the global-local higher order theory with combination of geometric stiffness matrix in this paper. This global-local theory completely fulfills the free surface conditions and the displacement and stress continuity conditions at interfaces. Moreover, the number of unknowns in this theory is independent of the number of layers in the laminate. Based on this global-local theory, a three-noded triangular element satisfying C1 continuity conditions has also been proposed. The bending part of this element is constructed from the concept of DKT element. In order to improve the accuracy of the analysis, a method of modified geometric stiffness matrix has been introduced. Numerical results show that the present theory not only computes accurately the buckling response of general laminated composite plates but also predicts the critical buckling loads of soft-core sandwiches. However, the global higher-order theories as well as first order theories might encounter some difficulties and overestimate the critical buckling loads for soft-core sandwich plates.

Quadrupole collectivity in 42Ca from low-energy Coulomb excitation with AGATA

NASA Astrophysics Data System (ADS)

Hadyńska-Klęk, K.; Napiorkowski, P. J.; Zielińska, M.; Srebrny, J.; Maj, A.; Azaiez, F.; Valiente Dobón, J. J.; Kicińska-Habior, M.; Nowacki, F.; Naïdja, H.; Bounthong, B.; Rodríguez, T. R.; de Angelis, G.; Abraham, T.; Anil Kumar, G.; Bazzacco, D.; Bellato, M.; Bortolato, D.; Bednarczyk, P.; Benzoni, G.; Berti, L.; Birkenbach, B.; Bruyneel, B.; Brambilla, S.; Camera, F.; Chavas, J.; Cederwall, B.; Charles, L.; Ciemała, M.; Cocconi, P.; Coleman-Smith, P.; Colombo, A.; Corsi, A.; Crespi, F. C. L.; Cullen, D. M.; Czermak, A.; Désesquelles, P.; Doherty, D. T.; Dulny, B.; Eberth, J.; Farnea, E.; Fornal, B.; Franchoo, S.; Gadea, A.; Giaz, A.; Gottardo, A.; Grave, X.; Grębosz, J.; Görgen, A.; Gulmini, M.; Habermann, T.; Hess, H.; Isocrate, R.; Iwanicki, J.; Jaworski, G.; Judson, D. S.; Jungclaus, A.; Karkour, N.; Kmiecik, M.; Karpiński, D.; Kisieliński, M.; Kondratyev, N.; Korichi, A.; Komorowska, M.; Kowalczyk, M.; Korten, W.; Krzysiek, M.; Lehaut, G.; Leoni, S.; Ljungvall, J.; Lopez-Martens, A.; Lunardi, S.; Maron, G.; Mazurek, K.; Menegazzo, R.; Mengoni, D.; Merchán, E.; Męczyński, W.; Michelagnoli, C.; Million, B.; Myalski, S.; Napoli, D. R.; Niikura, M.; Obertelli, A.; Özmen, S. F.; Palacz, M.; Próchniak, L.; Pullia, A.; Quintana, B.; Rampazzo, G.; Recchia, F.; Redon, N.; Reiter, P.; Rosso, D.; Rusek, K.; Sahin, E.; Salsac, M.-D.; Söderström, P.-A.; Stefan, I.; Stézowski, O.; Styczeń, J.; Theisen, Ch.; Toniolo, N.; Ur, C. A.; Wadsworth, R.; Wasilewska, B.; Wiens, A.; Wood, J. L.; Wrzosek-Lipska, K.; Ziębliński, M.

2018-02-01

A Coulomb-excitation experiment to study electromagnetic properties of 42Ca was performed using a 170-MeV calcium beam from the TANDEM XPU facility at INFN Laboratori Nazionali di Legnaro. γ rays from excited states in 42Ca were measured with the AGATA spectrometer. The magnitudes and relative signs of ten E 2 matrix elements coupling six low-lying states in 42Ca, including the diagonal E 2 matrix elements of 21+ and 22+ states, were determined using the least-squares code gosia. The obtained set of reduced E 2 matrix elements was analyzed using the quadrupole sum rule method and yielded overall quadrupole deformation for 01,2 + and 21,2 + states, as well as triaxiality for 01,2 + states, establishing the coexistence of a weakly deformed ground-state band and highly deformed slightly triaxial sideband in 42Ca. The experimental results were compared with the state-of-the-art large-scale shell-model and beyond-mean-field calculations, which reproduce well the general picture of shape coexistence in 42Ca.

Mesh Convergence Requirements for Composite Damage Models

NASA Technical Reports Server (NTRS)

Davila, Carlos G.

2016-01-01

The ability of the finite element method to accurately represent the response of objects with intricate geometry and loading renders the finite element method as an extremely versatile analysis technique for structural analysis. Finite element analysis is routinely used in industry to calculate deflections, stress concentrations, natural frequencies, buckling loads, and much more. The method works by discretizing complex problems into smaller, simpler approximations that are valid over small uniform domains. For common analyses, the maximum size of the elements that can be used is often be determined by experience. However, to verify the quality of a solution, analyses with several levels of mesh refinement should be performed to ensure that the solution has converged. In recent years, the finite element method has been used to calculate the resistance of structures, and in particular that of composite structures. A number of techniques such as cohesive zone modeling, the virtual crack closure technique, and continuum damage modeling have emerged that can be used to predict cracking, delaminations, fiber failure, and other composite damage modes that lead to structural collapse. However, damage models present mesh refinement requirements that are not well understood. In this presentation, we examine different mesh refinement issues related to the representation of damage in composite materials. Damage process zone sizes and their corresponding mesh requirements will be discussed. The difficulties of modeling discontinuities and the associated need for regularization techniques will be illustrated, and some unexpected element size constraints will be presented. Finally, some of the difficulties in constructing models of composite structures capable of predicting transverse matrix cracking will be discussed. It will be shown that to predict the initiation and propagation of transverse matrix cracks, their density, and their saturation may require models that are significantly more refined than those that have been contemplated in the past.

Application of kernel method in fluorescence molecular tomography

NASA Astrophysics Data System (ADS)

Zhao, Yue; Baikejiang, Reheman; Li, Changqing

2017-02-01

Reconstruction of fluorescence molecular tomography (FMT) is an ill-posed inverse problem. Anatomical guidance in the FMT reconstruction can improve FMT reconstruction efficiently. We have developed a kernel method to introduce the anatomical guidance into FMT robustly and easily. The kernel method is from machine learning for pattern analysis and is an efficient way to represent anatomical features. For the finite element method based FMT reconstruction, we calculate a kernel function for each finite element node from an anatomical image, such as a micro-CT image. Then the fluorophore concentration at each node is represented by a kernel coefficient vector and the corresponding kernel function. In the FMT forward model, we have a new system matrix by multiplying the sensitivity matrix with the kernel matrix. Thus, the kernel coefficient vector is the unknown to be reconstructed following a standard iterative reconstruction process. We convert the FMT reconstruction problem into the kernel coefficient reconstruction problem. The desired fluorophore concentration at each node can be calculated accordingly. Numerical simulation studies have demonstrated that the proposed kernel-based algorithm can improve the spatial resolution of the reconstructed FMT images. In the proposed kernel method, the anatomical guidance can be obtained directly from the anatomical image and is included in the forward modeling. One of the advantages is that we do not need to segment the anatomical image for the targets and background.

Using molecular dynamics simulations and finite element method to study the mechanical properties of nanotube reinforced polyethylene and polyketone

NASA Astrophysics Data System (ADS)

Rouhi, S.; Alizadeh, Y.; Ansari, R.; Aryayi, M.

2015-09-01

Molecular dynamics simulations are used to study the mechanical behavior of single-walled carbon nanotube reinforced composites. Polyethylene and polyketone are selected as the polymer matrices. The effects of nanotube atomic structure and diameter on the mechanical properties of polymer matrix nanocomposites are investigated. It is shown that although adding nanotube to the polymer matrix raises the longitudinal elastic modulus significantly, the transverse tensile and shear moduli do not experience important change. As the previous finite element models could not be used for polymer matrices with the atom types other than carbon, molecular dynamics simulations are used to propose a finite element model which can be used for any polymer matrices. It is shown that this model can predict Young’s modulus with an acceptable accuracy.

Determination of low-Z elements in individual environmental particles using windowless EPMA.

PubMed

Ro, C U; Osán, J; Van Grieken, R

1999-04-15

The determination of low-Z elements such as carbon, nitrogen, and oxygen in atmospheric aerosol particles is of interest in studying environmental pollution. Conventional electron probe microanalysis technique has a limitation for the determination of the low-Z elements, mainly because the Be window in an energy-dispersive X-ray (EDX) detector hinders the detection of characteristic X-rays from light elements. The feasibility of low-Z element determination in individual particles using a windowless EDX detector is investigated. To develop a method capable of identifying chemical species of individual particles, both the matrix and the geometric effects of particles have to be evaluated. X-rays of low-Z elements generated by an electron beam are so soft that important matrix effects, mostly due to X-ray absorption, exist even within particles in the micrometer size range. Also, the observed radiation, especially that of light elements, experiences different extents of absorption, depending on the shape and size of the particles. Monte Carlo calculation is applied to explain the variation of observed X-ray intensities according to the geometric and chemical compositional variation of individual particles, at different primary electron beam energies. A comparison is carried out between simulated and experimental data, collected for standard individual particles with chemical compositions as generally observed in marine and continental aerosols. Despite the many fundamental problematic analytical factors involved in the observation of X-rays from low-Z elements, the Monte Carlo calculation proves to be quite reliable to evaluate those matrix and geometric effects. Practical aspects of the Monte Carlo calculation for the determination of light elements in individual particles are also considered.

Development of phase analysis methods of impurity elements in alloys based on iron and nickel

NASA Astrophysics Data System (ADS)

Andreeva, N. A.; Anuchkin, S. N.; Volchenkova, V. A.; Kazenas, E. K.; Penkina, T. N.; Fomina, A. A.

2018-04-01

Using the method of AES with ICP, new methods have been developed for quantifying the content of various forms of existence of impurity elements: Al-Al2O3; Zr-ZrO2 in alloys based on iron (Fe-Sn) and nickel (Ni-Sn). Open systems were used to dissolve Al and Zr. To translate difficult-to-open aluminum oxides (corundum) and zirconium oxide (baddeleyite) into the solution, accelerated techniques were developed using the microwave system Mars 5. To confirm the completeness of the dissolution of oxides, a classical scheme of alloy fusion with alkali metal salts was used. Optimal analytical parameters for determining the elements: Al and Zr were chosen. The influence of matrix elements (iron and nickel) and methods of its elimination were studied. This made it possible to determine the elements in a wide concentration range from 1 • 10-3 to n% Al and from 1 • 10-4 to n% Zr without preliminary separation of the matrix with good metrological characteristics. The relative standard deviation (Sr) does not exceed 0,2. The separate determination of the contents of aluminum and aluminium oxide in the model melt of Fe-Sn-Al2O3 and zirconium and zirconium oxide in the Ni-Sn-ZrO2 model melt allowed us to estimate the number of nanoparticles participating in the heterophase interaction with tin and retired to the interface in the form of ensembles and the number of nanoparticles present in the melt and affecting the crystallization process and the structure of the metal.

Discretization of the induced-charge boundary integral equation.

PubMed

Bardhan, Jaydeep P; Eisenberg, Robert S; Gillespie, Dirk

2009-07-01

Boundary-element methods (BEMs) for solving integral equations numerically have been used in many fields to compute the induced charges at dielectric boundaries. In this paper, we consider a more accurate implementation of BEM in the context of ions in aqueous solution near proteins, but our results are applicable more generally. The ions that modulate protein function are often within a few angstroms of the protein, which leads to the significant accumulation of polarization charge at the protein-solvent interface. Computing the induced charge accurately and quickly poses a numerical challenge in solving a popular integral equation using BEM. In particular, the accuracy of simulations can depend strongly on seemingly minor details of how the entries of the BEM matrix are calculated. We demonstrate that when the dielectric interface is discretized into flat tiles, the qualocation method of Tausch [IEEE Trans Comput.-Comput.-Aided Des. 20, 1398 (2001)] to compute the BEM matrix elements is always more accurate than the traditional centroid-collocation method. Qualocation is not more expensive to implement than collocation and can save significant computational time by reducing the number of boundary elements needed to discretize the dielectric interfaces.

Discretization of the induced-charge boundary integral equation

NASA Astrophysics Data System (ADS)

Bardhan, Jaydeep P.; Eisenberg, Robert S.; Gillespie, Dirk

2009-07-01

Boundary-element methods (BEMs) for solving integral equations numerically have been used in many fields to compute the induced charges at dielectric boundaries. In this paper, we consider a more accurate implementation of BEM in the context of ions in aqueous solution near proteins, but our results are applicable more generally. The ions that modulate protein function are often within a few angstroms of the protein, which leads to the significant accumulation of polarization charge at the protein-solvent interface. Computing the induced charge accurately and quickly poses a numerical challenge in solving a popular integral equation using BEM. In particular, the accuracy of simulations can depend strongly on seemingly minor details of how the entries of the BEM matrix are calculated. We demonstrate that when the dielectric interface is discretized into flat tiles, the qualocation method of Tausch [IEEE Trans Comput.-Comput.-Aided Des. 20, 1398 (2001)] to compute the BEM matrix elements is always more accurate than the traditional centroid-collocation method. Qualocation is not more expensive to implement than collocation and can save significant computational time by reducing the number of boundary elements needed to discretize the dielectric interfaces.

The forced vibration of one-dimensional multi-coupled periodic structures: An application to finite element analysis

NASA Astrophysics Data System (ADS)

Mead, Denys J.

2009-01-01

A general theory for the forced vibration of multi-coupled one-dimensional periodic structures is presented as a sequel to a much earlier general theory for free vibration. Starting from the dynamic stiffness matrix of a single multi-coupled periodic element, it derives matrix equations for the magnitudes of the characteristic free waves excited in the whole structure by prescribed harmonic forces and/or displacements acting at a single periodic junction. The semi-infinite periodic system excited at its end is first analysed to provide the basis for analysing doubly infinite and finite periodic systems. In each case, total responses are found by considering just one periodic element. An already-known method of reducing the size of the computational problem is reexamined, expanded and extended in detail, involving reduction of the dynamic stiffness matrix of the periodic element through a wave-coordinate transformation. Use of the theory is illustrated in a combined periodic structure+finite element analysis of the forced harmonic in-plane motion of a uniform flat plate. Excellent agreement between the computed low-frequency responses and those predicted by simple engineering theories validates the detailed formulations of the paper. The primary purpose of the paper is not towards a specific application but to present a systematic and coherent forced vibration theory, carefully linked with the existing free-wave theory.

Institutional analysis of milkfish supply chain using interpretive structural modelling (ISM) (case study of UD. Bunda Foods, Sidoarjo District)

NASA Astrophysics Data System (ADS)

Silalahi, R. L. R.; Mustaniroh, S. A.; Ikasari, D. M.; Sriulina, R. P.

2018-03-01

UD. Bunda Foods is an SME located in the district of Sidoarjo. UD. Bunda Foods has problems of maintaining its milkfish’s quality assurance and developing marketing strategies. Improving those problems enables UD. Bunda Foods to compete with other similar SMEs and to market its product for further expansion of their business. The objectives of this study were to determine the model of the institutional structure of the milkfish supply chain, to determine the elements, the sub-elements, and the relationship among each element. The method used in this research was Interpretive Structural Modeling (ISM), involving 5 experts as respondents consisting of 1 practitioner, 1 academician, and 3 government organisation employees. The results showed that there were two key elements include requirement and goals elements. Based on the Drive Power-Dependence (DP-D) matrix, the key sub-elements of requirement element, consisted of raw material continuity, appropriate marketing strategy, and production capital, were positioned in the Linkage sector quadrant. The DP-D matrix for the key sub-elements of the goal element also showed a similar position. The findings suggested several managerial implications to be carried out by UD. Bunda Foods include establishing good relationships with all involved institutions, obtaining capital assistance, and attending the marketing training provided by the government.

Development and validation of an ICP-MS method for the determination of elemental impurities in TP-6076 active pharmaceutical ingredient (API) according to USP 〈232〉/〈233〉.

PubMed

Chahrour, Osama; Malone, John; Collins, Mark; Salmon, Vrushali; Greenan, Catherine; Bombardier, Amy; Ma, Zhongze; Dunwoody, Nick

2017-10-25

The new guidelines of the United States pharmacopeia (USP), European pharmacopeia (EP) and international conference on harmonization (ICH) regulating elemental impurities limits in pharmaceuticals signify the end of unspecific analysis of metals as outlined in USP 〈231〉. The new guidelines specify both daily doses and concentration/limits of elemental impurities in pharmaceutical final products, active pharmaceutical ingredients (API) and excipients. In chapter USP 〈233〉 method implementation, validation and quality control during the analytical process are described. We herein report the use of a stabilising matrix that overcomes low spike recovery problem encountered with Os and allows the determination of all USP required elemental impurities (As, Cd, Hg, Pb, V, Cr, Ni, Mo, Cu, Pt, Pd, Ru, Rh, Os and Ir) in a single analysis. The matrix was used in the validation of a method to determine elemental impurities in TP-6076 active pharmaceutical ingredient (API) by ICP-MS according to the procedures defined in USP〈233〉 and to GMP requirements. This validation will support the regulatory submission of TP-6076 which is a novel tetracycline analogue effective against the most urgent multidrug-resistant gram-negative bacteria. Evaluation of TP-6076 in IND-enabling toxicology studies has led to the initiation of a phase 1 clinical trial. Copyright © 2017 Elsevier B.V. All rights reserved.

High order Nyström method for elastodynamic scattering

NASA Astrophysics Data System (ADS)

Chen, Kun; Gurrala, Praveen; Song, Jiming; Roberts, Ron

2016-02-01

Elastic waves in solids find important applications in ultrasonic non-destructive evaluation. The scattering of elastic waves has been treated using many approaches like the finite element method, boundary element method and Kirchhoff approximation. In this work, we propose a novel accurate and efficient high order Nyström method to solve the boundary integral equations for elastodynamic scattering problems. This approach employs high order geometry description for the element, and high order interpolation for fields inside each element. Compared with the boundary element method, this approach makes the choice of the nodes for interpolation based on the Gaussian quadrature, which renders matrix elements for far field interaction free from integration, and also greatly simplifies the process for singularity and near singularity treatment. The proposed approach employs a novel efficient near singularity treatment that makes the solver able to handle extreme geometries like very thin penny-shaped crack. Numerical results are presented to validate the approach. By using the frequency domain response and performing the inverse Fourier transform, we also report the time domain response of flaw scattering.

Condition number estimation of preconditioned matrices.

PubMed

Kushida, Noriyuki

2015-01-01

The present paper introduces a condition number estimation method for preconditioned matrices. The newly developed method provides reasonable results, while the conventional method which is based on the Lanczos connection gives meaningless results. The Lanczos connection based method provides the condition numbers of coefficient matrices of systems of linear equations with information obtained through the preconditioned conjugate gradient method. Estimating the condition number of preconditioned matrices is sometimes important when describing the effectiveness of new preconditionerers or selecting adequate preconditioners. Operating a preconditioner on a coefficient matrix is the simplest method of estimation. However, this is not possible for large-scale computing, especially if computation is performed on distributed memory parallel computers. This is because, the preconditioned matrices become dense, even if the original matrices are sparse. Although the Lanczos connection method can be used to calculate the condition number of preconditioned matrices, it is not considered to be applicable to large-scale problems because of its weakness with respect to numerical errors. Therefore, we have developed a robust and parallelizable method based on Hager's method. The feasibility studies are curried out for the diagonal scaling preconditioner and the SSOR preconditioner with a diagonal matrix, a tri-daigonal matrix and Pei's matrix. As a result, the Lanczos connection method contains around 10% error in the results even with a simple problem. On the other hand, the new method contains negligible errors. In addition, the newly developed method returns reasonable solutions when the Lanczos connection method fails with Pei's matrix, and matrices generated with the finite element method.

KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Abrashkevich, A. G.; Amaya-Tapia, A.; Kaschiev, M. S.; Larsen, S. Y.; Vinitsky, S. I.

2007-10-01

A FORTRAN 77 program is presented which calculates energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on the finite interval with homogeneous boundary conditions of the third type. The resulting system of radial equations which contains the potential matrix elements and first-derivative coupling terms is solved using high-order accuracy approximations of the finite-element method. As a test desk, the program is applied to the calculation of the energy values and reaction matrix for an exactly solvable 2D-model of three identical particles on a line with pair zero-range potentials. Program summaryProgram title: KANTBP Catalogue identifier: ADZH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 4224 No. of bytes in distributed program, including test data, etc.: 31 232 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system: OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM: depends on (a) the number of differential equations; (b) the number and order of finite-elements; (c) the number of hyperradial points; and (d) the number of eigensolutions required. Test run requires 30 MB Classification: 2.1, 2.4 External routines: GAULEG and GAUSSJ [W.H. Press, B.F. Flanery, S.A. Teukolsky, W.T. Vetterley, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986] Nature of problem: In the hyperspherical adiabatic approach [J. Macek, J. Phys. B 1 (1968) 831-843; U. Fano, Rep. Progr. Phys. 46 (1983) 97-165; C.D. Lin, Adv. Atom. Mol. Phys. 22 (1986) 77-142], a multi-dimensional Schrödinger equation for a two-electron system [A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro, Comput. Phys. Comm. 90 (1995) 311-339] or a hydrogen atom in magnetic field [M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352] is reduced by separating the radial coordinate ρ from the angular variables to a system of second-order ordinary differential equations which contain potential matrix elements and first-derivative coupling terms. The purpose of this paper is to present the finite-element method procedure based on the use of high-order accuracy approximations for calculating approximate eigensolutions for such systems of coupled differential equations. Solution method: The boundary problems for coupled differential equations are solved by the finite-element method using high-order accuracy approximations [A.G. Abrashkevich, D.G. Abrashkevich, M.S. Kaschiev, I.V. Puzynin, Comput. Phys. Comm. 85 (1995) 40-64]. The generalized algebraic eigenvalue problem AF=EBF with respect to pair unknowns ( E,F) arising after the replacement of the differential problem by the finite-element approximation is solved by the subspace iteration method using the SSPACE program [K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982]. The generalized algebraic eigenvalue problem (A-EB)F=λDF with respect to pair unknowns (λ,F) arising after the corresponding replacement of the scattering boundary problem in open channels at fixed energy value, E, is solved by the LDL factorization of symmetric matrix and back-substitution methods using the DECOMP and REDBAK programs, respectively [K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982]. As a test desk, the program is applied to the calculation of the energy values and reaction matrix for an exactly solvable 2D-model of three identical particles on a line with pair zero-range potentials described in [Yu. A. Kuperin, P.B. Kurasov, Yu.B. Melnikov, S.P. Merkuriev, Ann. Phys. 205 (1991) 330-361; O. Chuluunbaatar, A.A. Gusev, S.Y. Larsen, S.I. Vinitsky, J. Phys. A 35 (2002) L513-L525; N.P. Mehta, J.R. Shepard, Phys. Rev. A 72 (2005) 032728-1-11; O. Chuluunbaatar, A.A. Gusev, M.S. Kaschiev, V.A. Kaschieva, A. Amaya-Tapia, S.Y. Larsen, S.I. Vinitsky, J. Phys. B 39 (2006) 243-269]. For this benchmark model the needed analytical expressions for the potential matrix elements and first-derivative coupling terms, their asymptotics and asymptotics of radial solutions of the boundary problems for coupled differential equations have been produced with help of a MAPLE computer algebra system. Restrictions: The computer memory requirements depend on: (a) the number of differential equations; (b) the number and order of finite-elements; (c) the total number of hyperradial points; and (d) the number of eigensolutions required. Restrictions due to dimension sizes may be easily alleviated by altering PARAMETER statements (see Long Write-Up and listing for details). The user must also supply subroutine POTCAL for evaluating potential matrix elements. The user should supply subroutines ASYMEV (when solving the eigenvalue problem) or ASYMSC (when solving the scattering problem) that evaluate the asymptotics of the radial wave functions at the right boundary point in case of a boundary condition of the third type, respectively. Running time: The running time depends critically upon: (a) the number of differential equations; (b) the number and order of finite-elements; (c) the total number of hyperradial points on interval [0,ρ]; and (d) the number of eigensolutions required. The test run which accompanies this paper took 28.48 s without calculation of matrix potentials on the Intel Pentium IV 2.4 GHz.

Sparsity of the normal matrix in the refinement of macromolecules at atomic and subatomic resolution.

PubMed

Jelsch, C

2001-09-01

The normal matrix in the least-squares refinement of macromolecules is very sparse when the resolution reaches atomic and subatomic levels. The elements of the normal matrix, related to coordinates, thermal motion and charge-density parameters, have a global tendency to decrease rapidly with the interatomic distance between the atoms concerned. For instance, in the case of the protein crambin at 0.54 A resolution, the elements are reduced by two orders of magnitude for distances above 1.5 A. The neglect a priori of most of the normal-matrix elements according to a distance criterion represents an approximation in the refinement of macromolecules, which is particularly valid at very high resolution. The analytical expressions of the normal-matrix elements, which have been derived for the coordinates and the thermal parameters, show that the degree of matrix sparsity increases with the diffraction resolution and the size of the asymmetric unit.

Preconditioned MoM Solutions for Complex Planar Arrays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fasenfest, B J; Jackson, D; Champagne, N

2004-01-23

The numerical analysis of large arrays is a complex problem. There are several techniques currently under development in this area. One such technique is the FAIM (Faster Adaptive Integral Method). This method uses a modification of the standard AIM approach which takes into account the reusability properties of matrices that arise from identical array elements. If the array consists of planar conducting bodies, the array elements are meshed using standard subdomain basis functions, such as the RWG basis. These bases are then projected onto a regular grid of interpolating polynomials. This grid can then be used in a 2D ormore » 3D FFT to accelerate the matrix-vector product used in an iterative solver. The method has been proven to greatly reduce solve time by speeding the matrix-vector product computation. The FAIM approach also reduces fill time and memory requirements, since only the near element interactions need to be calculated exactly. The present work extends FAIM by modifying it to allow for layered material Green's Functions and dielectrics. In addition, a preconditioner is implemented to greatly reduce the number of iterations required for a solution. The general scheme of the FAIM method is reported in; this contribution is limited to presenting new results.« less

The group separation of the rare-earth elements and yttrium from geologic materials by cation-exchange chromatography

USGS Publications Warehouse

Crock, J.G.; Lichte, F.E.; Wildeman, T.R.

1984-01-01

Demand is increasing for the determination of the rare-earth elements (REE) and yttrium in geologic materials. Due to their low natural abundance in many materials and the interferences that occur in many methods of determination, a separation procedure utilizing gradient strong-acid cation-exchange chromatography is often used to preconcentrate and isolate these elements from the host-rock matrix. Two separate gradient strong-acid cation-exchange procedures were characterized and the major elements as well as those elements thought to provide the greatest interference for the determination of the REE in geologic materials were tested for separation from the REE. Simultaneous inductively coupled argon plasma-atomic emission spectroscopy (ICAP-AES) measurements were used to construct the chromatograms for the elution studies, allowing the elution patterns of all the elements of interest to be determined in a single fraction of eluent. As a rock matrix, U.S. Geological Survey standard reference BCR-1 basalt was digested using both an acid decomposition procedure and a lithium metaborate fusion. Hydrochloric and nitric acids were tested as eluents and chromatograms were plotted using the ICAP-AES data; and we observed substantial differences in the elution patterns of the REE and as well as in the solution patterns of Ba, Ca, Fe and Sr. The nitric acid elution required substantially less eluent to elute the REE and Y as a group when compared to the hydrochloric acid elution, and provided a clearer separation of the REE from interfering and matrix elements. ?? 1984.

Theoretical study of solvent effects on the electronic coupling matrix elements in rigidly linked donor-acceptor systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cave, R.J.; Newton, M.D.; Kumar, K.

1995-12-07

The recently developed generalized Mulliken-Hush approach for the calculation of the electronic coupling matrix element for electron-transfer processes is applied to two rigidly linked donor-bridge-acceptor systems having dimethoxyanthracene as the donor and a dicarbomethoxycyclobutene unit as the acceptor. The dependence of the electronic coupling matrix element as a function of bridge type is examined with and without solvent molecules present. For clamp-shaped bridge structures solvent can have a dramatic effect on the electronic coupling matrix element. The behavior with variation of solvent is in good agreement with that observed experimentally for these systems. 23 refs., 2 tabs.

Double Charge Exchange Reactions and Double Beta Decay

NASA Astrophysics Data System (ADS)

Auerbach, N.

2018-05-01

The subject of this presentation is at the forefront of nuclear physics, namely double beta decay. In particular one is most interested in the neutrinoless process of double beta decay, when the decay proceeds without the emission of two neutrinos. The observation of such decay would mean that the lepton conservation symmetry is violated and that the neutrinos are of Majorana type, meaning that they are their own anti-particles. The life time of this process has two unknowns, the mass of the neutrino and the nuclear matrix element. Determining the nuclear matrix element and knowing the cross-section well will set limits on the neutrino mass. There is a concentrated effort among the nuclear physics community to calculate this matrix element. Usually these matrix elements are a very small part of the total strength of the transition operators involved in the process. There is no simple way to “calibrate” the nuclear double beta decay matrix element. The double beta decay is a double charge exchange process, therefore it is proposed that double charge exchange reactions using ion projectiles on nuclei that are candidates for double beta decay, will provide additional necessary information about the nuclear matrix elements.

Analytical development of disturbed matrix eigenvalue problem applied to mixed convection stability analysis in Darcy media

NASA Astrophysics Data System (ADS)

Hamed, Haikel Ben; Bennacer, Rachid

2008-08-01

This work consists in evaluating algebraically and numerically the influence of a disturbance on the spectral values of a diagonalizable matrix. Thus, two approaches will be possible; to use the theorem of disturbances of a matrix depending on a parameter, due to Lidskii and primarily based on the structure of Jordan of the no disturbed matrix. The second approach consists in factorizing the matrix system, and then carrying out a numerical calculation of the roots of the disturbances matrix characteristic polynomial. This problem can be a standard model in the equations of the continuous media mechanics. During this work, we chose to use the second approach and in order to illustrate the application, we choose the Rayleigh-Bénard problem in Darcy media, disturbed by a filtering through flow. The matrix form of the problem is calculated starting from a linear stability analysis by a finite elements method. We show that it is possible to break up the general phenomenon into other elementary ones described respectively by a disturbed matrix and a disturbance. A good agreement between the two methods was seen. To cite this article: H.B. Hamed, R. Bennacer, C. R. Mecanique 336 (2008).

A satellite relative motion model including J_2 and J_3 via Vinti's intermediary

NASA Astrophysics Data System (ADS)

Biria, Ashley D.; Russell, Ryan P.

2018-03-01

Vinti's potential is revisited for analytical propagation of the main satellite problem, this time in the context of relative motion. A particular version of Vinti's spheroidal method is chosen that is valid for arbitrary elliptical orbits, encapsulating J_2, J_3, and generally a partial J_4 in an orbit propagation theory without recourse to perturbation methods. As a child of Vinti's solution, the proposed relative motion model inherits these properties. Furthermore, the problem is solved in oblate spheroidal elements, leading to large regions of validity for the linearization approximation. After offering several enhancements to Vinti's solution, including boosts in accuracy and removal of some singularities, the proposed model is derived and subsequently reformulated so that Vinti's solution is piecewise differentiable. While the model is valid for the critical inclination and nonsingular in the element space, singularities remain in the linear transformation from Earth-centered inertial coordinates to spheroidal elements when the eccentricity is zero or for nearly equatorial orbits. The new state transition matrix is evaluated against numerical solutions including the J_2 through J_5 terms for a wide range of chief orbits and separation distances. The solution is also compared with side-by-side simulations of the original Gim-Alfriend state transition matrix, which considers the J_2 perturbation. Code for computing the resulting state transition matrix and associated reference frame and coordinate transformations is provided online as supplementary material.

ANALYSIS OF A CLASSIFICATION ERROR MATRIX USING CATEGORICAL DATA TECHNIQUES.

USGS Publications Warehouse

Rosenfield, George H.; Fitzpatrick-Lins, Katherine

1984-01-01

Summary form only given. A classification error matrix typically contains tabulation results of an accuracy evaluation of a thematic classification, such as that of a land use and land cover map. The diagonal elements of the matrix represent the counts corrected, and the usual designation of classification accuracy has been the total percent correct. The nondiagonal elements of the matrix have usually been neglected. The classification error matrix is known in statistical terms as a contingency table of categorical data. As an example, an application of these methodologies to a problem of remotely sensed data concerning two photointerpreters and four categories of classification indicated that there is no significant difference in the interpretation between the two photointerpreters, and that there are significant differences among the interpreted category classifications. However, two categories, oak and cottonwood, are not separable in classification in this experiment at the 0. 51 percent probability. A coefficient of agreement is determined for the interpreted map as a whole, and individually for each of the interpreted categories. A conditional coefficient of agreement for the individual categories is compared to other methods for expressing category accuracy which have already been presented in the remote sensing literature.

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

NASA Technical Reports Server (NTRS)

Jin, Jian-Ming; Volakis, John L.; Collins, Jeffery D.

1991-01-01

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-dimensional composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exact and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement. The paper begins with a general description of the method. A number of two- and three-dimensional applications are then given, including numerical computations which demonstrate the method's accuracy, efficiency, and capability.

Systems and methods for reducing transient voltage spikes in matrix converters

DOEpatents

Kajouke, Lateef A.; Perisic, Milun; Ransom, Ray M.

2013-06-11

Systems and methods are provided for delivering energy using an energy conversion module that includes one or more switching elements. An exemplary electrical system comprises a DC interface, an AC interface, an isolation module, a first conversion module between the DC interface and the isolation module, and a second conversion module between the AC interface and the isolation module. A control module is configured to operate the first conversion module to provide an injection current to the second conversion module to reduce a magnitude of a current through a switching element of the second conversion module before opening the switching element.

Steady, Oscillatory, and Unsteady Subsonic and Supersonic Aerodynamics, production version (SOUSSA-P 1.1). Volume 1: Theoretical manual. [Green function

NASA Technical Reports Server (NTRS)

Morino, L.

1980-01-01

Recent developments of the Green's function method and the computer program SOUSSA (Steady, Oscillatory, and Unsteady Subsonic and Supersonic Aerodynamics) are reviewed and summarized. Applying the Green's function method to the fully unsteady (transient) potential equation yields an integro-differential-delay equation. With spatial discretization by the finite-element method, this equation is approximated by a set of differential-delay equations in time. Time solution by Laplace transform yields a matrix relating the velocity potential to the normal wash. Premultiplying and postmultiplying by the matrices relating generalized forces to the potential and the normal wash to the generalized coordinates one obtains the matrix of the generalized aerodynamic forces. The frequency and mode-shape dependence of this matrix makes the program SOUSSA useful for multiple frequency and repeated mode-shape evaluations.

An efficient numerical method for the solution of the problem of elasticity for 3D-homogeneous elastic medium with cracks and inclusions

NASA Astrophysics Data System (ADS)

Kanaun, S.; Markov, A.

2017-06-01

An efficient numerical method for solution of static problems of elasticity for an infinite homogeneous medium containing inhomogeneities (cracks and inclusions) is developed. Finite number of heterogeneous inclusions and planar parallel cracks of arbitrary shapes is considered. The problem is reduced to a system of surface integral equations for crack opening vectors and volume integral equations for stress tensors inside the inclusions. For the numerical solution of these equations, a class of Gaussian approximating functions is used. The method based on these functions is mesh free. For such functions, the elements of the matrix of the discretized system are combinations of explicit analytical functions and five standard 1D-integrals that can be tabulated. Thus, the numerical integration is excluded from the construction of the matrix of the discretized problem. For regular node grids, the matrix of the discretized system has Toeplitz's properties, and Fast Fourier Transform technique can be used for calculation matrix-vector products of such matrices.

A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis

NASA Technical Reports Server (NTRS)

Lane, John

2009-01-01

A simple 2D M N matrix involving sample preparation enables the microanalyst to peer below the noise floor of element percentages reported by the SEM/EDX (scanning electron microscopy/ energy dispersive x-ray) analysis, thus yielding more meaningful data. Using the example of a 2 3 sample set, there are M = 2 concentration levels of the original mix under test: 10 percent ilmenite (90 percent silica) and 20 percent ilmenite (80 percent silica). For each of these M samples, N = 3 separate SEM/EDX samples were drawn. In this test, ilmenite is the element of interest. By plotting the linear trend of the M sample s known concentration versus the average of the N samples, a much higher resolution of elemental analysis can be performed. The resulting trend also shows how the noise is affecting the data, and at what point (of smaller concentrations) is it impractical to try to extract any further useful data.

Finite element analysis of stress transfer mechanism from matrix to the fiber in SWCN reinforced nanocomposites

NASA Astrophysics Data System (ADS)

Günay, E.

2017-02-01

This study defined as micromechanical finite element (FE) approach examining the stress transfer mechanism in single-walled carbon nanotube (SWCN) reinforced composites. In the modeling, 3D unit-cell method was evaluated. Carbon nanotube reinforced composites were modeled as three layers which comprises CNT, interface and matrix material. Firstly; matrix, fiber and interfacial materials all together considered as three layered cylindrical nanocomposite. Secondly, the cylindrical matrix material was assumed to be isotropic and also considered as a continuous medium. Then, fiber material was represented with zigzag type SWCNs. Finally, SWCN was combined with the elastic medium by using springs with different constants. In the FE modeling of SWCN reinforced composite model springs were modeled by using ANSYS spring damper element COMBIN14. The developed interfacial van der Waals interaction effects between the continuous matrix layer and the carbon nanotube fiber layer were simulated by applying these various spring stiffness values. In this study, the layered composite cylindrical FE model was presented as the equivalent mechanical properties of SWCN structures in terms of Young's modulus. The obtained results and literature values were presented and discussed. Figures, 16, 17, and 18 of the original article PDF file, as supplied to AIP Publishing, were affected by a PDF-processing error. Consequently, a solid diamond symbol appeared instead of a Greek tau on the y axis labels for these three figures. This article was updated on 17 March 2017 to correct the PDF-processing error, with the scientific content remaining unchanged.

Multi-color incomplete Cholesky conjugate gradient methods for vector computers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poole, E.L.

1986-01-01

This research is concerned with the solution on vector computers of linear systems of equations. Ax = b, where A is a large, sparse symmetric positive definite matrix with non-zero elements lying only along a few diagonals of the matrix. The system is solved using the incomplete Cholesky conjugate gradient method (ICCG). Multi-color orderings are used of the unknowns in the linear system to obtain p-color matrices for which a no-fill block ICCG method is implemented on the CYBER 205 with O(N/p) length vector operations in both the decomposition of A and, more importantly, in the forward and back solvesmore » necessary at each iteration of the method. (N is the number of unknowns and p is a small constant). A p-colored matrix is a matrix that can be partitioned into a p x p block matrix where the diagonal blocks are diagonal matrices. The matrix is stored by diagonals and matrix multiplication by diagonals is used to carry out the decomposition of A and the forward and back solves. Additionally, if the vectors across adjacent blocks line up, then some of the overhead associated with vector startups can be eliminated in the matrix vector multiplication necessary at each conjugate gradient iteration. Necessary and sufficient conditions are given to determine which multi-color orderings of the unknowns correspond to p-color matrices, and a process is indicated for choosing multi-color orderings.« less

Modeling Fatigue Damage Onset and Progression in Composites Using an Element-Based Virtual Crack Closure Technique Combined With the Floating Node Method

NASA Technical Reports Server (NTRS)

De Carvalho, Nelson V.; Krueger, Ronald

2016-01-01

A new methodology is proposed to model the onset and propagation of matrix cracks and delaminations in carbon-epoxy composites subject to fatigue loading. An extended interface element, based on the Floating Node Method, is developed to represent delaminations and matrix cracks explicitly in a mesh independent fashion. Crack propagation is determined using an element-based Virtual Crack Closure Technique approach to determine mixed-mode energy release rates, and the Paris-Law relationship to obtain crack growth rate. Crack onset is determined using a stressbased onset criterion coupled with a stress vs. cycle curve and Palmgren-Miner rule to account for fatigue damage accumulation. The approach is implemented in Abaqus/Standard® via the user subroutine functionality. Verification exercises are performed to assess the accuracy and correct implementation of the approach. Finally, it was demonstrated that this approach captured the differences in failure morphology in fatigue for two laminates of identical stiffness, but with layups containing ?deg plies that were either stacked in a single group, or distributed through the laminate thickness.

The Linear Parameters and the Decoupling Matrix for Linearly Coupled Motion in 6 Dimensional Phase Space

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parzen, George

It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 x 6 matrix, R. R will be called the decoupling matrix. It will be shown that of the 36 elements of the 6 x 6 decoupling matrix R, only 12 elements are independent. This may be contrasted with the results for motion in 4- dimensional phase space, wheremore » R has 4 independent elements. A set of equations is given from which the 12 elements of R can be computed from the one period transfer matrix. This set of equations also allows the linear parameters, the β i,α i, i = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix. An alternative procedure for computing the linear parameters,β i,α i, i = 1, 3, and the 12 independent elements of the decoupling matrix R is also given which depends on computing the eigenvectors of the one period transfer matrix. These results can be used in a tracking program, where the one period transfer matrix can be computed by multiplying the transfer matrices of all the elements in a period, to compute the linear parameters α i and β i, i = 1, 3, and the elements of the decoupling matrix R. The procedure presented here for studying coupled motion in 6-dimensional phase space can also be applied to coupled motion in 4-dimensional phase space, where it may be a useful alternative procedure to the procedure presented by Edwards and Teng. In particular, it gives a simpler programing procedure for computing the beta functions and the emittances for coupled motion in 4-dimensional phase space.« less

The linear parameters and the decoupling matrix for linearly coupled motion in 6 dimensional phase space. Informal report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parzen, G.

It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 {times} 6 matrix, R. R will be called the decoupling matrix. It will be shown that of the 36 elements of the 6 {times} 6 decoupling matrix R, only 12 elements are independent. This may be contrasted with the results for motion in 4-dimensional phase space, where Rmore » has 4 independent elements. A set of equations is given from which the 12 elements of R can be computed from the one period transfer matrix. This set of equations also allows the linear parameters, {beta}{sub i}, {alpha}{sub i} = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix. An alternative procedure for computing the linear parameters, the {beta}{sub i}, {alpha}{sub i} i = 1, 3, and the 12 independent elements of the decoupling matrix R is also given which depends on computing the eigenvectors of the one period transfer matrix. These results can be used in a tracking program, where the one period transfer matrix can be computed by multiplying the transfer matrices of all the elements in a period, to compute the linear parameters {alpha}{sub i} and {beta}{sub i}, i = 1, 3, and the elements of the decoupling matrix R. The procedure presented here for studying coupled motion in 6-dimensional phase space can also be applied to coupled motion in 4-dimensional phase space, where it may be a useful alternative procedure to the procedure presented by Edwards and Teng. In particular, it gives a simpler programming procedure for computing the beta functions and the emittances for coupled motion in 4-dimensional phase space.« less

Characterization Of Nuclear Materials Using Time-Of-Flight ICP-MS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buerger, Stefan; Riciputi, Lee R; Bostick, Debra A

2006-01-01

The investigation of illicit trafficking of nuclear materials, nuclear safeguards analysis, and non-proliferation control requires sensitive and isotope-selective detection methods to gain crucial nuclear forensic information like isotope 'fingerprints' and multi-element signatures. The advantage of time-of-flight (TOF) mass spectrometry - quasi-simultaneous multi-mass analysis - combined with an inductively coupled plasma (ICP) ion source provides an analytical instrument with multi-element and multi-isotope capability and good detection limits. A TOF-ICP-MS system thus appears to be an advantageous choice for the investigation and characterization of nuclear materials. We present here results using a GBC OptiMass 8000 time-of-flight ICP-MS for the isotope screening ofmore » solid samples by laser ablation and the multi-element determination of impurities in uranium ore concentrates using matrix matched standards. A laser ablation system (New Wave Research, UP 213) coupled to the TOF-ICP-MS instrument has been used to optimize the system for analysis of non-radioactive metal samples of natural isotopic composition for a variety of elements including Cu, Sr, Zr, Mo, Cd, In, Ba, Ta, W, Re, Pt, and Pb in pure metals, alloys, and glasses to explore precision, accuracy, and detection limits. Similar methods were then applied to measure uranium. When the laser system is optimized, no mass bias correction is required. Precision and accuracy for the determination of the isotopic composition is typically 1 - 3% for elemental concentrations of as little as 50 ppm in the matrix, with no requirement for sample preparation. The laser ablation precision and accuracy are within ~10x of the instrumental limits for liquid analysis (0.1%). We have investigated the capabilities of the TOF-ICP-MS for the analysis of impurities in uranium matrices. Matrix matching has been used to develop calibration curves for a range of impurities (alkaline, earth-alkaline, transition metals, and rare earth elements). These calibration curves have been used to measure impurities in a number of uranium samples. The results from the TOF-ICP-MS will be compared with other mass spectrometric methods.« less

Tensor Minkowski Functionals for random fields on the sphere

NASA Astrophysics Data System (ADS)

Chingangbam, Pravabati; Yogendran, K. P.; Joby, P. K.; Ganesan, Vidhya; Appleby, Stephen; Park, Changbom

2017-12-01

We generalize the translation invariant tensor-valued Minkowski Functionals which are defined on two-dimensional flat space to the unit sphere. We apply them to level sets of random fields. The contours enclosing boundaries of level sets of random fields give a spatial distribution of random smooth closed curves. We outline a method to compute the tensor-valued Minkowski Functionals numerically for any random field on the sphere. Then we obtain analytic expressions for the ensemble expectation values of the matrix elements for isotropic Gaussian and Rayleigh fields. The results hold on flat as well as any curved space with affine connection. We elucidate the way in which the matrix elements encode information about the Gaussian nature and statistical isotropy (or departure from isotropy) of the field. Finally, we apply the method to maps of the Galactic foreground emissions from the 2015 PLANCK data and demonstrate their high level of statistical anisotropy and departure from Gaussianity.

Determining partial differential cross sections for low-energy electron photodetachment involving conical intersections using the solution of a Lippmann-Schwinger equation constructed with standard electronic structure techniques.

PubMed

Han, Seungsuk; Yarkony, David R

2011-05-07

A method for obtaining partial differential cross sections for low energy electron photodetachment in which the electronic states of the residual molecule are strongly coupled by conical intersections is reported. The method is based on the iterative solution to a Lippmann-Schwinger equation, using a zeroth order Hamiltonian consisting of the bound nonadiabatically coupled residual molecule and a free electron. The solution to the Lippmann-Schwinger equation involves only standard electronic structure techniques and a standard three-dimensional free particle Green's function quadrature for which fast techniques exist. The transition dipole moment for electron photodetachment, is a sum of matrix elements each involving one nonorthogonal orbital obtained from the solution to the Lippmann-Schwinger equation. An expression for the electron photodetachment transition dipole matrix element in terms of Dyson orbitals, which does not make the usual orthogonality assumptions, is derived.

Positron production in heavy-ion collisions. II. Application of the formalism to the case of the U+U collision

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tomoda, T.

1982-07-01

The method developed in the preceding paper is applied to the calculation of the spectra of positrons produced in the U + U collision. Matrix elements of the radial derivative operator between adiabatic basis states are calculated in the monopole approximation, with the finite nuclear size taken into account. These matrix elements are then modified for the supercritical case with the use of the analytical method presented in paper I of this series. The coupled differential equations for the occupation amplitudes of the basis states are solved and the positron spectra are obtained for the U + U collision. Itmore » is shown that the decomposition of the production probability into a spontaneous and an induced part depends on the definition of the resonance state and cannot be given unambiguously. The results are compared with those obtained by Reinhardt et al.« less

Top Quark Mass Measurement in the Lepton + Jets Channel Using a Matrix Element Method and \\textit{in situ} Jet Energy Calibration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aaltonen, T.; /Helsinki Inst. of Phys.; Alvarez Gonzalez, B.

A precision measurement of the top quark mass m{sub t} is obtained using a sample of t{bar t} events from p{bar p} collisions at the Fermilab Tevatron with the CDF II detector. Selected events require an electron or muon, large missing transverse energy, and exactly four high-energy jets, at least one of which is tagged as coming from a b quark. A likelihood is calculated using a matrix element method with quasi-Monte Carlo integration taking into account finite detector resolution and jet mass effects. The event likelihood is a function of m{sub t} and a parameter {Delta}{sub JES} used tomore » calibrate the jet energy scale in situ. Using a total of 1087 events, a value of m{sub t} = 173.0 {+-} 1.2 GeV/c{sup 2} is measured.« less

Top Quark Mass Measurement in the lepton+jets Channel Using a Matrix Element Method and in situ Jet Energy Calibration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aaltonen, T.; Brucken, E.; Devoto, F.

A precision measurement of the top quark mass m{sub t} is obtained using a sample of tt events from pp collisions at the Fermilab Tevatron with the CDF II detector. Selected events require an electron or muon, large missing transverse energy, and exactly four high-energy jets, at least one of which is tagged as coming from a b quark. A likelihood is calculated using a matrix element method with quasi-Monte Carlo integration taking into account finite detector resolution and jet mass effects. The event likelihood is a function of m{sub t} and a parameter {Delta}{sub JES} used to calibrate themore » jet energy scale in situ. Using a total of 1087 events in 5.6 fb{sup -1} of integrated luminosity, a value of m{sub t}=173.0{+-}1.2 GeV/c{sup 2} is measured.« less

Modular Exhaust Design and Manufacturing Techniques for Low Cost Mid Volume Rapid Buidl to Order Systems

DTIC Science & Technology

2014-08-06

the pressure field is uniform across them, but which allow mass flow to be diverted. Series elements have a constant mass flow across the ports...they can be used to calculate the pressure and mass flow after the element from the pressure and mass flow prior to the element, as shown in...the matrix product of each transfer matrix in turn. The final matrix gives no information about the pressures and mass flows within the element

A general parallel sparse-blocked matrix multiply for linear scaling SCF theory

NASA Astrophysics Data System (ADS)

Challacombe, Matt

2000-06-01

A general approach to the parallel sparse-blocked matrix-matrix multiply is developed in the context of linear scaling self-consistent-field (SCF) theory. The data-parallel message passing method uses non-blocking communication to overlap computation and communication. The space filling curve heuristic is used to achieve data locality for sparse matrix elements that decay with “separation”. Load balance is achieved by solving the bin packing problem for blocks with variable size.With this new method as the kernel, parallel performance of the simplified density matrix minimization (SDMM) for solution of the SCF equations is investigated for RHF/6-31G ∗∗ water clusters and RHF/3-21G estane globules. Sustained rates above 5.7 GFLOPS for the SDMM have been achieved for (H 2 O) 200 with 95 Origin 2000 processors. Scalability is found to be limited by load imbalance, which increases with decreasing granularity, due primarily to the inhomogeneous distribution of variable block sizes.

Analysis of biogenic carbonates by inductively coupled plasma-mass spectrometry (ICP-MS). Flow injection on-line solid-phase preconcentration for trace element determination in fish otoliths.

PubMed

Arslan, Z; Paulson, A J

2002-04-01

The aragonite deposits within the ear bones (otoliths) of teleost fish retain a chemical signal reflecting the life history of fish (similar to rings of trees) and the nature of fish habitats. Otoliths dissolved in acid solutions contain high concentrations of calcium and a variety of proteins. Elimination of matrix salts and organic interferences during preconcentration is essential for accurate determination of trace elements in otolith solutions by inductively coupled plasma-quadrupole mass spectrometry. An iminodiacetate-based chelating resin (Toyopearl AF-Chelate 650 M) has been used for on-line preconcentration and matrix separation for the determination of 31 transition and rare elements. Successful preconcentration of the elements was achieved at pH 5 by on-line buffering, except Mn which required pH 8.8. Sample solutions were loaded on to the column for 1 min at 3.2 mL min(-1), and then eluted directly into the mass spectrometer with 4% v/v nitric acid. This procedure enabled up to 25-fold preconcentration with successful removal of the calcium matrix. The effect of heat-assisted oxidation with concentrated nitric acid was investigated to eliminate the organic matrix. It was found that heating to dryness after dissolution and further mineralization with the acid significantly improved the retention of the transition elements. The method was validated by analysis of a certified reference material produced from saggittal otoliths of emperor snapper ( Lutjanus sebae), and then applied to the determination of trace metal concentrations in juvenile bluefin tuna ( Thunnus thynnus) from the Western Pacific Ocean.

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

NASA Technical Reports Server (NTRS)

Jin, Jian-Ming; Volakis, John L.; Collins, Jeffery D.

1991-01-01

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exac, and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite-element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement.

Integrated DNA walking system to characterize a broad spectrum of GMOs in food/feed matrices.

PubMed

Fraiture, Marie-Alice; Herman, Philippe; Lefèvre, Loic; Taverniers, Isabel; De Loose, Marc; Deforce, Dieter; Roosens, Nancy H

2015-08-14

In order to provide a system fully integrated with qPCR screening, usually used in GMO routine analysis, as well as being able to detect, characterize and identify a broad spectrum of GMOs in food/feed matrices, two bidirectional DNA walking methods targeting p35S or tNOS, the most common transgenic elements found in GM crops, were developed. These newly developed DNA walking methods are completing the previously implemented DNA walking method targeting the t35S pCAMBIA element. Food/feed matrices containing transgenic crops (Bt rice or MON863 maize) were analysed using the integrated DNA walking system. First, the newly developed DNA walking methods, anchored on the sequences used for the p35S or tNOS qPCR screening, were tested on Bt rice that contains these two transgenic elements. Second, the methods were assessed on a maize sample containing a low amount of the GM MON863 event, representing a more complex matrix in terms of genome size and sensitivity. Finally, to illustrate its applicability in GMO routine analysis by enforcement laboratories, the entire workflow of the integrated strategy, including qPCR screening to detect the potential presence of GMOs and the subsequent DNA walking methods to characterize and identify the detected GMOs, was applied on a GeMMA Scheme Proficiency Test matrix. Via the characterization of the transgene flanking region between the transgenic cassette and the plant genome as well as of a part of the transgenic cassette, the presence of GMOs was properly confirmed or infirmed in all tested samples. Due to their simple procedure and their short time-frame to get results, the developed DNA walking methods proposed here can be easily implemented in GMO routine analysis by the enforcement laboratories. In providing crucial information about the transgene flanking regions and/or the transgenic cassettes, this DNA walking strategy is a key molecular tool to prove the presence of GMOs in any given food/feed matrix.

A T Matrix Method Based upon Scalar Basis Functions

NASA Technical Reports Server (NTRS)

Mackowski, D.W.; Kahnert, F. M.; Mishchenko, Michael I.

2013-01-01

A surface integral formulation is developed for the T matrix of a homogenous and isotropic particle of arbitrary shape, which employs scalar basis functions represented by the translation matrix elements of the vector spherical wave functions. The formulation begins with the volume integral equation for scattering by the particle, which is transformed so that the vector and dyadic components in the equation are replaced with associated dipole and multipole level scalar harmonic wave functions. The approach leads to a volume integral formulation for the T matrix, which can be extended, by use of Green's identities, to the surface integral formulation. The result is shown to be equivalent to the traditional surface integral formulas based on the VSWF basis.

Mueller matrix mapping of biological polycrystalline layers using reference wave

NASA Astrophysics Data System (ADS)

Dubolazov, A.; Ushenko, O. G.; Ushenko, Yu. O.; Pidkamin, L. Y.; Sidor, M. I.; Grytsyuk, M.; Prysyazhnyuk, P. V.

2018-01-01

The paper consists of two parts. The first part is devoted to the short theoretical basics of the method of differential Mueller-matrix description of properties of partially depolarizing layers. It was provided the experimentally measured maps of differential matrix of the 1st order of polycrystalline structure of the histological section of brain tissue. It was defined the statistical moments of the 1st-4th orders, which characterize the distribution of matrix elements. In the second part of the paper it was provided the data of statistic analysis of birefringence and dichroism of the histological sections of mice liver tissue (normal and with diabetes). It were defined the objective criteria of differential diagnostics of diabetes.

Micromechanical modeling of damage growth in titanium based metal-matrix composites

NASA Technical Reports Server (NTRS)

Sherwood, James A.; Quimby, Howard M.

1994-01-01

The thermomechanical behavior of continuous-fiber reinforced titanium based metal-matrix composites (MMC) is studied using the finite element method. A thermoviscoplastic unified state variable constitutive theory is employed to capture inelastic and strain-rate sensitive behavior in the Timetal-21s matrix. The SCS-6 fibers are modeled as thermoplastic. The effects of residual stresses generated during the consolidation process on the tensile response of the composites are investigated. Unidirectional and cross-ply geometries are considered. Differences between the tensile responses in composites with perfectly bonded and completely debonded fiber/matrix interfaces are discussed. Model simulations for the completely debonded-interface condition are shown to correlate well with experimental results.

Analysis of some metallic elements and metalloids composition and relationships in parasol mushroom Macrolepiota procera.

PubMed

Falandysz, Jerzy; Sapkota, Atindra; Dryżałowska, Anna; Mędyk, Małgorzata; Feng, Xinbin

2017-06-01

The aim of the study was to characterise the multi-elemental composition and associations between a group of 32 elements and 16 rare earth elements collected by mycelium from growing substrates and accumulated in fruiting bodies of Macrolepiota procera from 16 sites from the lowland areas of Poland. The elements were quantified by inductively coupled plasma quadrupole mass spectrometry using validated method. The correlation matrix obtained from a possible 48 × 16 data matrix has been used to examine if any association exits between 48 elements in mushrooms foraged from 16 sampling localizations by multivariate approach using principal component (PC) analysis. The model could explain up to 93% variability by eight factors for which an eigenvalue value was ≥1. Absolute values of the correlation coefficient were above 0.72 (significance at p < 0.05) for 43 elements. From a point of view by consumer, the absolute content of Cd, Hg, Pb in caps of M. procera collected from background (unpolluted) areas could be considered elevated while sporadic/occasional ingestion of this mushroom is considered safe. The multivariate functional analysis revealed on associated accumulation of many elements in this mushroom. M. procera seem to possess some features of a bio-indicative species for anthropogenic Pb but also for some geogenic metals.

E-Beam Processing of Polymer Matrix Composites for Multifunctional Radiation Shielding

NASA Technical Reports Server (NTRS)

Hou, Tan-Hung; Wilson, John W.; Jensen, Brian J.; Thibeault, Sheila A.; Chang, Chie K.; Kiefer, Richard L.

2005-01-01

Aliphatic polymers were identified as optimum radiation shielding polymeric materials for building multifunctional structural elements for in-space habitats. Conceptual damage tolerant configurations of polyolefins have been proposed, but many manufacturing issues relied on methods and materials which have sub-optimal radiation shielding characteristics (for example, epoxy matrix and adhesives). In the present approach, we shall investigate e-beam processing technologies for inclusion of high-strength aliphatic polymer reinforcement structures into a highly cross-linked polyolefin matrix. This paper reports the baseline thermo-mechanical properties of low density polyethylene and highly crystallized polyethylene.

Automated high-speed Mueller matrix scatterometer.

PubMed

Delplancke, F

1997-08-01

A new scatterometer-polarimeter is described. It measures the angular distribution of intensity and of the complete Mueller matrix of light scattered by rough surfaces and particle suspensions. The measurement time is 1 s/scattering angle in the present configuration but can be reduced to a few milliseconds with modified electronics. The instrument uses polarization modulation and a Fourier analysis of four detected signals to obtain the 16 Mueller matrix elements. This method is particularly well suited to online, real time, industrial process control involving rough surfaces and large particle suspensions (an arithmetic roughness or particle diameter of >1 microm). Some results are given.

Energy conserving, linear scaling Born-Oppenheimer molecular dynamics.

PubMed

Cawkwell, M J; Niklasson, Anders M N

2012-10-07

Born-Oppenheimer molecular dynamics simulations with long-term conservation of the total energy and a computational cost that scales linearly with system size have been obtained simultaneously. Linear scaling with a low pre-factor is achieved using density matrix purification with sparse matrix algebra and a numerical threshold on matrix elements. The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] yields microcanonical trajectories with the approximate forces obtained from the linear scaling method that exhibit no systematic drift over hundreds of picoseconds and which are indistinguishable from trajectories computed using exact forces.

Nonlinear Earthquake Analysis of Reinforced Concrete Frames with Fiber and Bernoulli-Euler Beam-Column Element

PubMed Central

Karaton, Muhammet

2014-01-01

A beam-column element based on the Euler-Bernoulli beam theory is researched for nonlinear dynamic analysis of reinforced concrete (RC) structural element. Stiffness matrix of this element is obtained by using rigidity method. A solution technique that included nonlinear dynamic substructure procedure is developed for dynamic analyses of RC frames. A predicted-corrected form of the Bossak-α method is applied for dynamic integration scheme. A comparison of experimental data of a RC column element with numerical results, obtained from proposed solution technique, is studied for verification the numerical solutions. Furthermore, nonlinear cyclic analysis results of a portal reinforced concrete frame are achieved for comparing the proposed solution technique with Fibre element, based on flexibility method. However, seismic damage analyses of an 8-story RC frame structure with soft-story are investigated for cases of lumped/distributed mass and load. Damage region, propagation, and intensities according to both approaches are researched. PMID:24578667

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gim, Yeongrok; Department of Chemistry, Ajou University, Suwon 443-749; Lee, Chun-Woo, E-mail: clee@ajou.ac.kr

2014-10-14

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipolemore » moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n{sup 2}. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s–d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n{sup −3/2} dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.« less

A finite element code for modelling tracer transport in a non-isothermal two-phase flow system for CO2 geological storage characterization

NASA Astrophysics Data System (ADS)

Tong, F.; Niemi, A. P.; Yang, Z.; Fagerlund, F.; Licha, T.; Sauter, M.

2011-12-01

This paper presents a new finite element method (FEM) code for modeling tracer transport in a non-isothermal two-phase flow system. The main intended application is simulation of the movement of so-called novel tracers for the purpose of characterization of geologically stored CO2 and its phase partitioning and migration in deep saline formations. The governing equations are based on the conservation of mass and energy. Among the phenomena accounted for are liquid-phase flow, gas flow, heat transport and the movement of the novel tracers. The movement of tracers includes diffusion and the advection associated with the gas and liquid flow. The temperature, gas pressure, suction, concentration of tracer in liquid phase and concentration of tracer in gas phase are chosen as the five primary variables. Parameters such as the density, viscosity, thermal expansion coefficient are expressed in terms of the primary variables. The governing equations are discretized in space using the Galerkin finite element formulation, and are discretized in time by one-dimensional finite difference scheme. This leads to an ill-conditioned FEM equation that has many small entries along the diagonal of the non-symmetric coefficient matrix. In order to deal with the problem of non-symmetric ill-conditioned matrix equation, special techniques are introduced . Firstly, only nonzero elements of the matrix need to be stored. Secondly, it is avoided to directly solve the whole large matrix. Thirdly, a strategy has been used to keep the diversity of solution methods in the calculation process. Additionally, an efficient adaptive mesh technique is included in the code in order to track the wetting front. The code has been validated against several classical analytical solutions, and will be applied for simulating the CO2 injection experiment to be carried out at the Heletz site, Israel, as part of the EU FP7 project MUSTANG.

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

NASA Astrophysics Data System (ADS)

Gim, Yeongrok; Lee, Chun-Woo

2014-10-01

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipole moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n2. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s-d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n-3/2 dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.

The least-squares finite element method for low-mach-number compressible viscous flows

NASA Technical Reports Server (NTRS)

Yu, Sheng-Tao

1994-01-01

The present paper reports the development of the Least-Squares Finite Element Method (LSFEM) for simulating compressible viscous flows at low Mach numbers in which the incompressible flows pose as an extreme. Conventional approach requires special treatments for low-speed flows calculations: finite difference and finite volume methods are based on the use of the staggered grid or the preconditioning technique; and, finite element methods rely on the mixed method and the operator-splitting method. In this paper, however, we show that such difficulty does not exist for the LSFEM and no special treatment is needed. The LSFEM always leads to a symmetric, positive-definite matrix through which the compressible flow equations can be effectively solved. Two numerical examples are included to demonstrate the method: first, driven cavity flows at various Reynolds numbers; and, buoyancy-driven flows with significant density variation. Both examples are calculated by using full compressible flow equations.

Apparatus and method for identification of matrix materials in which transuranic elements are embedded using thermal neutron capture gamma-ray emission

DOEpatents

Close, D.A.; Franks, L.A.; Kocimski, S.M.

1984-08-16

An invention is described that enables the quantitative simultaneous identification of the matrix materials in which fertile and fissile nuclides are embedded to be made along with the quantitative assay of the fertile and fissile materials. The invention also enables corrections for any absorption of neutrons by the matrix materials and by the measurement apparatus by the measurement of the prompt and delayed neutron flux emerging from a sample after the sample is interrogated by simultaneously applied neutrons and gamma radiation. High energy electrons are directed at a first target to produce gamma radiation. A second target receives the resulting pulsed gamma radiation and produces neutrons from the interaction with the gamma radiation. These neutrons are slowed by a moderator surrounding the sample and bathe the sample uniformly, generating second gamma radiation in the interaction. The gamma radiation is then resolved and quantitatively detected, providing a spectroscopic signature of the constituent elements contained in the matrix and in the materials within the vicinity of the sample. (LEW)

Performance of low-rank QR approximation of the finite element Biot-Savart law

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, D; Fasenfest, B

2006-10-16

In this paper we present a low-rank QR method for evaluating the discrete Biot-Savart law. Our goal is to develop an algorithm that is easily implemented on parallel computers. It is assumed that the known current density and the unknown magnetic field are both expressed in a finite element expansion, and we wish to compute the degrees-of-freedom (DOF) in the basis function expansion of the magnetic field. The matrix that maps the current DOF to the field DOF is full, but if the spatial domain is properly partitioned the matrix can be written as a block matrix, with blocks representingmore » distant interactions being low rank and having a compressed QR representation. While an octree partitioning of the matrix may be ideal, for ease of parallel implementation we employ a partitioning based on number of processors. The rank of each block (i.e. the compression) is determined by the specific geometry and is computed dynamically. In this paper we provide the algorithmic details and present computational results for large-scale computations.« less

Method and system of Jones-matrix mapping of blood plasma films with "fuzzy" analysis in differentiation of breast pathology changes

NASA Astrophysics Data System (ADS)

Zabolotna, Natalia I.; Radchenko, Kostiantyn O.; Karas, Oleksandr V.

2018-01-01

A fibroadenoma diagnosing of breast using statistical analysis (determination and analysis of statistical moments of the 1st-4th order) of the obtained polarization images of Jones matrix imaginary elements of the optically thin (attenuation coefficient τ <= 0,1 ) blood plasma films with further intellectual differentiation based on the method of "fuzzy" logic and discriminant analysis were proposed. The accuracy of the intellectual differentiation of blood plasma samples to the "norm" and "fibroadenoma" of breast was 82.7% by the method of linear discriminant analysis, and by the "fuzzy" logic method is 95.3%. The obtained results allow to confirm the potentially high level of reliability of the method of differentiation by "fuzzy" analysis.

Methods for Estimating Uncertainty in PMF Solutions: Examples with Ambient Air and Water Quality Data and Guidance on Reporting PMF Results

EPA Science Inventory

The new version of EPA’s positive matrix factorization (EPA PMF) software, 5.0, includes three error estimation (EE) methods for analyzing factor analytic solutions: classical bootstrap (BS), displacement of factor elements (DISP), and bootstrap enhanced by displacement (BS-DISP)...

Matrix management in hospitals: testing theories of matrix structure and development.

PubMed

Burns, L R

1989-09-01

A study of 315 hospitals with matrix management programs was used to test several hypotheses concerning matrix management advanced by earlier theorists. The study verifies that matrix management involves several distinctive elements that can be scaled to form increasingly complex types of lateral coordinative devices. The scalability of these elements is evident only cross-sectionally. The results show that matrix complexity is not an outcome of program age, nor does matrix complexity at the time of implementation appear to influence program survival. Matrix complexity, finally, is not determined by the organization's task diversity and uncertainty. The results suggest several modifications in prevailing theories of matrix organization.

Accurate mass measurement by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry. I. Measurement of positive radical ions using porphyrin standard reference materials.

PubMed

Griffiths, Nia W; Wyatt, Mark F; Kean, Suzanna D; Graham, Andrew E; Stein, Bridget K; Brenton, A Gareth

2010-06-15

A method for the accurate mass measurement of positive radical ions by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry (MALDI-TOFMS) is described. Initial use of a conjugated oligomeric calibration material was rejected in favour of a series of meso-tetraalkyl/tetraalkylaryl-functionalised porphyrins, from which the two calibrants required for a particular accurate mass measurement were chosen. While all measurements of monoisotopic species were within +/-5 ppm, and the method was rigorously validated using chemometrics, mean values of five measurements were used for extra confidence in the generation of potential elemental formulae. Potential difficulties encountered when measuring compounds containing multi-isotopic elements are discussed, where the monoisotopic peak is no longer the lowest mass peak, and a simple mass-correction solution can be applied. The method requires no significant expertise to implement, but care and attention is required to obtain valid measurements. The method is operationally simple and will prove useful to the analytical chemistry community. Copyright (c) 2010 John Wiley & Sons, Ltd.

Controlling excited-state contamination in nucleon matrix elements

DOE PAGES

Yoon, Boram; Gupta, Rajan; Bhattacharya, Tanmoy; ...

2016-06-08

We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1-flavor ensemble with lattices of size 32 3 × 64 generated using the rational hybrid Monte Carlo algorithm at a = 0.081 fm and with M π = 312 MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a 2-state fit to data at multiple values of the source-sink separationmore » t sep. We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost effectiveness. As a result, a detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of t sep needed to demonstrate convergence of the isovector charges of the nucleon to the t sep → ∞ estimates is presented.« less

TRACE ELEMENT ANALYSES OF URANIUM MATERIALS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beals, D; Charles Shick, C

The Savannah River National Laboratory (SRNL) has developed an analytical method to measure many trace elements in a variety of uranium materials at the high part-per-billion (ppb) to low part-per-million (ppm) levels using matrix removal and analysis by quadrapole ICP-MS. Over 35 elements were measured in uranium oxides, acetate, ore and metal. Replicate analyses of samples did provide precise results however none of the materials was certified for trace element content thus no measure of the accuracy could be made. The DOE New Brunswick Laboratory (NBL) does provide a Certified Reference Material (CRM) that has provisional values for a seriesmore » of trace elements. The NBL CRM were purchased and analyzed to determine the accuracy of the method for the analysis of trace elements in uranium oxide. These results are presented and discussed in the following paper.« less

Matrix elements of Δ B =0 operators in heavy hadron chiral perturbation theory

NASA Astrophysics Data System (ADS)

Lee, Jong-Wan

2015-05-01

We study the light-quark mass and spatial volume dependence of the matrix elements of Δ B =0 four-quark operators relevant for the determination of Vu b and the lifetime ratios of single-b hadrons. To this end, one-loop diagrams are computed in the framework of heavy hadron chiral perturbation theory with partially quenched formalism for three light-quark flavors in the isospin limit; flavor-connected and -disconnected diagrams are carefully analyzed. These calculations include the leading light-quark flavor and heavy-quark spin symmetry breaking effects in the heavy hadron spectrum. Our results can be used in the chiral extrapolation of lattice calculations of the matrix elements to the physical light-quark masses and to infinite volume. To provide insight on such chiral extrapolation, we evaluate the one-loop contributions to the matrix elements containing external Bd, Bs mesons and Λb baryon in the QCD limit, where sea and valence quark masses become equal. In particular, we find that the matrix elements of the λ3 flavor-octet operators with an external Bd meson receive the contributions solely from connected diagrams in which current lattice techniques are capable of precise determination of the matrix elements. Finite volume effects are at most a few percent for typical lattice sizes and pion masses.

Multi-elemental analysis of aqueous geological samples by inductively coupled plasma-optical emission spectrometry

USGS Publications Warehouse

Todorov, Todor I.; Wolf, Ruth E.; Adams, Monique

2014-01-01

Typically, 27 major, minor, and trace elements are determined in natural waters, acid mine drainage, extraction fluids, and leachates of geological and environmental samples by inductively coupled plasma-optical emission spectrometry (ICP-OES). At the discretion of the analyst, additional elements may be determined after suitable method modifications and performance data are established. Samples are preserved in 1–2 percent nitric acid (HNO3) at sample collection or as soon as possible after collection. The aqueous samples are aspirated into the ICP-OES discharge, where the elemental emission signals are measured simultaneously for 27 elements. Calibration is performed with a series of matrix-matched, multi-element solution standards.

Modal ring method for the scattering of sound

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Kreider, Kevin L.

1993-01-01

The modal element method for acoustic scattering can be simplified when the scattering body is rigid. In this simplified method, called the modal ring method, the scattering body is represented by a ring of triangular finite elements forming the outer surface. The acoustic pressure is calculated at the element nodes. The pressure in the infinite computational region surrounding the body is represented analytically by an eigenfunction expansion. The two solution forms are coupled by the continuity of pressure and velocity on the body surface. The modal ring method effectively reduces the two-dimensional scattering problem to a one-dimensional problem capable of handling very high frequency scattering. In contrast to the boundary element method or the method of moments, which perform a similar reduction in problem dimension, the model line method has the added advantage of having a highly banded solution matrix requiring considerably less computer storage. The method shows excellent agreement with analytic results for scattering from rigid circular cylinders over a wide frequency range (1 is equal to or less than ka is less than or equal to 100) in the near and far fields.

Fast iterative image reconstruction using sparse matrix factorization with GPU acceleration

NASA Astrophysics Data System (ADS)

Zhou, Jian; Qi, Jinyi

2011-03-01

Statistically based iterative approaches for image reconstruction have gained much attention in medical imaging. An accurate system matrix that defines the mapping from the image space to the data space is the key to high-resolution image reconstruction. However, an accurate system matrix is often associated with high computational cost and huge storage requirement. Here we present a method to address this problem by using sparse matrix factorization and parallel computing on a graphic processing unit (GPU).We factor the accurate system matrix into three sparse matrices: a sinogram blurring matrix, a geometric projection matrix, and an image blurring matrix. The sinogram blurring matrix models the detector response. The geometric projection matrix is based on a simple line integral model. The image blurring matrix is to compensate for the line-of-response (LOR) degradation due to the simplified geometric projection matrix. The geometric projection matrix is precomputed, while the sinogram and image blurring matrices are estimated by minimizing the difference between the factored system matrix and the original system matrix. The resulting factored system matrix has much less number of nonzero elements than the original system matrix and thus substantially reduces the storage and computation cost. The smaller size also allows an efficient implement of the forward and back projectors on GPUs, which have limited amount of memory. Our simulation studies show that the proposed method can dramatically reduce the computation cost of high-resolution iterative image reconstruction. The proposed technique is applicable to image reconstruction for different imaging modalities, including x-ray CT, PET, and SPECT.

A comparison of the techniques of PIXE, PIGE and INAA by reference to the elemental analysis of porcine brain samples

NASA Astrophysics Data System (ADS)

Stedman, J. D.; Spyrou, N. M.

1994-12-01

The trace element concentrations in porcine brain samples as determined by particle-induced X-ray emission (PIXE) analysis, instrumental neutron activation analysis (INAA) and particle-induced gamma-ray emission (PIGE) analysis are compared. The matrix composition was determined by Rutherford backscattering (RBS). Al, Si, P, S, Cl, K, Ca, Mn, Fe and Cd were determined by PIXE analysis Na, K, Sc, Fe, Co, Zn, As, Br, Rb, and Cs by INAA and Na, Mg and Fe by PIGE analysis. The bulk elements C, N, O, Na Cl and S were found by RBS analysis. Elemental concentrations are obtained using the comparator method of analysis rather than an absolute method, the validity which is examined by comparing the elemental concentrations obtained in porcine brain using two separate certified reference materials.

A novel image encryption algorithm based on the chaotic system and DNA computing

NASA Astrophysics Data System (ADS)

Chai, Xiuli; Gan, Zhihua; Lu, Yang; Chen, Yiran; Han, Daojun

A novel image encryption algorithm using the chaotic system and deoxyribonucleic acid (DNA) computing is presented. Different from the traditional encryption methods, the permutation and diffusion of our method are manipulated on the 3D DNA matrix. Firstly, a 3D DNA matrix is obtained through bit plane splitting, bit plane recombination, DNA encoding of the plain image. Secondly, 3D DNA level permutation based on position sequence group (3DDNALPBPSG) is introduced, and chaotic sequences generated from the chaotic system are employed to permutate the positions of the elements of the 3D DNA matrix. Thirdly, 3D DNA level diffusion (3DDNALD) is given, the confused 3D DNA matrix is split into sub-blocks, and XOR operation by block is manipulated to the sub-DNA matrix and the key DNA matrix from the chaotic system. At last, by decoding the diffused DNA matrix, we get the cipher image. SHA 256 hash of the plain image is employed to calculate the initial values of the chaotic system to avoid chosen plaintext attack. Experimental results and security analyses show that our scheme is secure against several known attacks, and it can effectively protect the security of the images.

A fast indirect method to compute functions of genomic relationships concerning genotyped and ungenotyped individuals, for diversity management.

PubMed

Colleau, Jean-Jacques; Palhière, Isabelle; Rodríguez-Ramilo, Silvia T; Legarra, Andres

2017-12-01

Pedigree-based management of genetic diversity in populations, e.g., using optimal contributions, involves computation of the [Formula: see text] type yielding elements (relationships) or functions (usually averages) of relationship matrices. For pedigree-based relationships [Formula: see text], a very efficient method exists. When all the individuals of interest are genotyped, genomic management can be addressed using the genomic relationship matrix [Formula: see text]; however, to date, the computational problem of efficiently computing [Formula: see text] has not been well studied. When some individuals of interest are not genotyped, genomic management should consider the relationship matrix [Formula: see text] that combines genotyped and ungenotyped individuals; however, direct computation of [Formula: see text] is computationally very demanding, because construction of a possibly huge matrix is required. Our work presents efficient ways of computing [Formula: see text] and [Formula: see text], with applications on real data from dairy sheep and dairy goat breeding schemes. For genomic relationships, an efficient indirect computation with quadratic instead of cubic cost is [Formula: see text], where Z is a matrix relating animals to genotypes. For the relationship matrix [Formula: see text], we propose an indirect method based on the difference between vectors [Formula: see text], which involves computation of [Formula: see text] and of products such as [Formula: see text] and [Formula: see text], where [Formula: see text] is a working vector derived from [Formula: see text]. The latter computation is the most demanding but can be done using sparse Cholesky decompositions of matrix [Formula: see text], which allows handling very large genomic and pedigree data files. Studies based on simulations reported in the literature show that the trends of average relationships in [Formula: see text] and [Formula: see text] differ as genomic selection proceeds. When selection is based on genomic relationships but management is based on pedigree data, the true genetic diversity is overestimated. However, our tests on real data from sheep and goat obtained before genomic selection started do not show this. We present efficient methods to compute elements and statistics of the genomic relationships [Formula: see text] and of matrix [Formula: see text] that combines ungenotyped and genotyped individuals. These methods should be useful to monitor and handle genomic diversity.

On the treatment of ill-conditioned cases in the Monte Carlo library least-squares approach for inverse radiation analyzers

NASA Astrophysics Data System (ADS)

Meric, Ilker; Johansen, Geir A.; Holstad, Marie B.; Mattingly, John; Gardner, Robin P.

2012-05-01

Prompt gamma-ray neutron activation analysis (PGNAA) has been and still is one of the major methods of choice for the elemental analysis of various bulk samples. This is mostly due to the fact that PGNAA offers a rapid, non-destructive and on-line means of sample interrogation. The quantitative analysis of the prompt gamma-ray data could, on the other hand, be performed either through the single peak analysis or the so-called Monte Carlo library least-squares (MCLLS) approach, of which the latter has been shown to be more sensitive and more accurate than the former. The MCLLS approach is based on the assumption that the total prompt gamma-ray spectrum of any sample is a linear combination of the contributions from the individual constituents or libraries. This assumption leads to, through the minimization of the chi-square value, a set of linear equations which has to be solved to obtain the library multipliers, a process that involves the inversion of the covariance matrix. The least-squares solution may be extremely uncertain due to the ill-conditioning of the covariance matrix. The covariance matrix will become ill-conditioned whenever, in the subsequent calculations, two or more libraries are highly correlated. The ill-conditioning will also be unavoidable whenever the sample contains trace amounts of certain elements or elements with significantly low thermal neutron capture cross-sections. In this work, a new iterative approach, which can handle the ill-conditioning of the covariance matrix, is proposed and applied to a hydrocarbon multiphase flow problem in which the parameters of interest are the separate amounts of the oil, gas, water and salt phases. The results of the proposed method are also compared with the results obtained through the implementation of a well-known regularization method, the truncated singular value decomposition. Final calculations indicate that the proposed approach would be able to treat ill-conditioned cases appropriately.

FPGA architecture and implementation of sparse matrix vector multiplication for the finite element method

NASA Astrophysics Data System (ADS)

Elkurdi, Yousef; Fernández, David; Souleimanov, Evgueni; Giannacopoulos, Dennis; Gross, Warren J.

2008-04-01

The Finite Element Method (FEM) is a computationally intensive scientific and engineering analysis tool that has diverse applications ranging from structural engineering to electromagnetic simulation. The trends in floating-point performance are moving in favor of Field-Programmable Gate Arrays (FPGAs), hence increasing interest has grown in the scientific community to exploit this technology. We present an architecture and implementation of an FPGA-based sparse matrix-vector multiplier (SMVM) for use in the iterative solution of large, sparse systems of equations arising from FEM applications. FEM matrices display specific sparsity patterns that can be exploited to improve the efficiency of hardware designs. Our architecture exploits FEM matrix sparsity structure to achieve a balance between performance and hardware resource requirements by relying on external SDRAM for data storage while utilizing the FPGAs computational resources in a stream-through systolic approach. The architecture is based on a pipelined linear array of processing elements (PEs) coupled with a hardware-oriented matrix striping algorithm and a partitioning scheme which enables it to process arbitrarily big matrices without changing the number of PEs in the architecture. Therefore, this architecture is only limited by the amount of external RAM available to the FPGA. The implemented SMVM-pipeline prototype contains 8 PEs and is clocked at 110 MHz obtaining a peak performance of 1.76 GFLOPS. For 8 GB/s of memory bandwidth typical of recent FPGA systems, this architecture can achieve 1.5 GFLOPS sustained performance. Using multiple instances of the pipeline, linear scaling of the peak and sustained performance can be achieved. Our stream-through architecture provides the added advantage of enabling an iterative implementation of the SMVM computation required by iterative solution techniques such as the conjugate gradient method, avoiding initialization time due to data loading and setup inside the FPGA internal memory.

Rephasing invariants of the Cabibbo-Kobayashi- Maskawa matrix

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pérez R, H.; Kielanowski, P., E-mail: kiel@fis.cinvestav.mx; Juárez W, S. R., E-mail: rebeca@esfm.ipn.mx

2016-03-15

The paper is motivated by the importance of the rephasing invariance of the CKM (Cabibbo-Kobayashi-Maskawa) matrix observables. These observables appear in the discussion of the CP violation in the standard model (Jarlskog invariant) and also in the renormalization group equations for the quark Yukawa couplings. Our discussion is based on the general phase invariant monomials built out of the CKM matrix elements and their conjugates. We show that there exist 30 fundamental phase invariant monomials and 18 of them are a product of 4 CKM matrix elements and 12 are a product of 6 CKM matrix elements. In the mainmore » theorem we show that a general rephasing invariant monomial can be expressed as a product of at most five factors: four of them are fundamental phase invariant monomials and the fifth factor consists of powers of squares of absolute values of the CKM matrix elements. We also show that the imaginary part of any rephasing invariant monomial is proportional to the Jarlskog’s invariant J or is 0.« less

Scattering Matrix Elements for the Nonadiabatic Collision

DTIC Science & Technology

2010-12-01

orthogonality relationship expressed in (77). This technique, known as the Channel Packet Method (CPM), is laid out by Weeks and Tannor [2...time and energy are Fourier transform pairs, and share the same relationship as the coordinate/momentum pairs: max min 2E t t π ∆ = − (99) As...elements, will exibit ringing. Selection of an inappropriatly large time step introduces an erroneous phase shift in the correlation funtion . This

Numerical Manifold Method for the Forced Vibration of Thin Plates during Bending

PubMed Central

Jun, Ding; Song, Chen; Wei-Bin, Wen; Shao-Ming, Luo; Xia, Huang

2014-01-01

A novel numerical manifold method was derived from the cubic B-spline basis function. The new interpolation function is characterized by high-order coordination at the boundary of a manifold element. The linear elastic-dynamic equation used to solve the bending vibration of thin plates was derived according to the principle of minimum instantaneous potential energy. The method for the initialization of the dynamic equation and its solution process were provided. Moreover, the analysis showed that the calculated stiffness matrix exhibited favorable performance. Numerical results showed that the generalized degrees of freedom were significantly fewer and that the calculation accuracy was higher for the manifold method than for the conventional finite element method. PMID:24883403

Condition Number Estimation of Preconditioned Matrices

PubMed Central

Kushida, Noriyuki

2015-01-01

The present paper introduces a condition number estimation method for preconditioned matrices. The newly developed method provides reasonable results, while the conventional method which is based on the Lanczos connection gives meaningless results. The Lanczos connection based method provides the condition numbers of coefficient matrices of systems of linear equations with information obtained through the preconditioned conjugate gradient method. Estimating the condition number of preconditioned matrices is sometimes important when describing the effectiveness of new preconditionerers or selecting adequate preconditioners. Operating a preconditioner on a coefficient matrix is the simplest method of estimation. However, this is not possible for large-scale computing, especially if computation is performed on distributed memory parallel computers. This is because, the preconditioned matrices become dense, even if the original matrices are sparse. Although the Lanczos connection method can be used to calculate the condition number of preconditioned matrices, it is not considered to be applicable to large-scale problems because of its weakness with respect to numerical errors. Therefore, we have developed a robust and parallelizable method based on Hager’s method. The feasibility studies are curried out for the diagonal scaling preconditioner and the SSOR preconditioner with a diagonal matrix, a tri-daigonal matrix and Pei’s matrix. As a result, the Lanczos connection method contains around 10% error in the results even with a simple problem. On the other hand, the new method contains negligible errors. In addition, the newly developed method returns reasonable solutions when the Lanczos connection method fails with Pei’s matrix, and matrices generated with the finite element method. PMID:25816331

Tension-Compression Fatigue of an Oxide/Oxide Ceramic Matrix Composite at Elevated Temperature in Air and Steam Environments

DTIC Science & Technology

2015-03-26

method has been successfully used with several materials such as silicon carbide fiber - silicon carbide matrix ( SiC / SiC ) CMCs with carbon and boron...elements [14]. These advanced ceramics include oxides, nitrides and carbides of silicon , aluminum, titanium, and zirconium [12]. One of the most...oxides over silicon carbide and other non-oxide materials. In fact, it is the inherent stability of oxides in oxidizing environments which originally

Naval Research Logistics Quarterly. Volume 28, Number 4,

DTIC Science & Technology

1981-12-01

Fan [31 and an observation by Meijerink and van der Vorst [181 guarantee that after pivoting on any diagonal element of a diagonally dominant M- matrix...Science, 3, 255-269 (1957). 1181 Meijerink, J. and H. Van der Vorst, "An Iterative Solution Method for Linear Systems of which the Coefficient Matrix Is a...Hee, K., A. Hordijk and J. Van der Wal, "Successive Approximations for Convergent Dynamic Programming," in Markov Decision Theory, H. Tijms and J

Comparison of analytical performances of inductively coupled plasma mass spectrometry and inductively coupled plasma atomic emission spectrometry for trace analysis of bismuth and bismuth oxide

NASA Astrophysics Data System (ADS)

Medvedev, Nickolay S.; Shaverina, Anastasiya V.; Tsygankova, Alphiya R.; Saprykin, Anatoly I.

2018-04-01

The paper presents а comparison of analytical performances of inductively coupled plasma mass spectrometry (ICP-MS) and inductively coupled plasma atomic emission spectrometry (ICP-AES) for trace analysis of high purity bismuth and bismuth oxide. Matrix effects in the ICP-MS and ICP-AES methods were studied as a function of Bi concentration, ICP power and nebulizer flow rate. For ICP-MS the strong dependence of the matrix effects versus the atomic mass of analytes was observed. For ICP-AES the minimal matrix effects were achieved for spectral lines of analytes with low excitation potentials. The optimum degree of sample dilution providing minimum values of the limits of detection (LODs) was chosen. Both methods let us to reach LODs from n·10-7 to n·10-4 wt% for more than 50 trace elements. For most elements the LODs of ICP-MS were lower in comparison to ICP-AES. Validation of accuracy of the developed techniques was performed by "added-found" experiments and by comparison of the results of ICP-MS and ICP-AES analysis of high-purity bismuth oxide.

An efficient numerical model for multicomponent compressible flow in fractured porous media

NASA Astrophysics Data System (ADS)

Zidane, Ali; Firoozabadi, Abbas

2014-12-01

An efficient and accurate numerical model for multicomponent compressible single-phase flow in fractured media is presented. The discrete-fracture approach is used to model the fractures where the fracture entities are described explicitly in the computational domain. We use the concept of cross flow equilibrium in the fractures. This will allow large matrix elements in the neighborhood of the fractures and considerable speed up of the algorithm. We use an implicit finite volume (FV) scheme to solve the species mass balance equation in the fractures. This step avoids the use of Courant-Freidricks-Levy (CFL) condition and contributes to significant speed up of the code. The hybrid mixed finite element method (MFE) is used to solve for the velocity in both the matrix and the fractures coupled with the discontinuous Galerkin (DG) method to solve the species transport equations in the matrix. Four numerical examples are presented to demonstrate the robustness and efficiency of the proposed model. We show that the combination of the fracture cross-flow equilibrium and the implicit composition calculation in the fractures increase the computational speed 20-130 times in 2D. In 3D, one may expect even a higher computational efficiency.

Rate-Dependent Behavior of the Amorphous Phase of Spider Dragline Silk

PubMed Central

Patil, Sandeep P.; Markert, Bernd; Gräter, Frauke

2014-01-01

The time-dependent stress-strain behavior of spider dragline silk was already observed decades ago, and has been attributed to the disordered sequences in silk proteins, which compose the soft amorphous matrix. However, the actual molecular origin and magnitude of internal friction within the amorphous matrix has remained inaccessible, because experimentally decomposing the mechanical response of the amorphous matrix from the embedded crystalline units is challenging. Here, we used atomistic molecular dynamics simulations to obtain friction forces for the relative sliding of peptide chains of Araneus diadematus spider silk within bundles of these chains as a representative unit of the amorphous matrix in silk fibers. We computed the friction coefficient and coefficient of viscosity of the amorphous phase to be in the order of 10−6 Ns/m and 104 Ns/m2, respectively, by extrapolating our simulation data to the viscous limit. Finally, we used a finite element method for the amorphous phase, solely based on parameters derived from molecular dynamics simulations including the newly determined coefficient of viscosity. With this model the time scales of stress relaxation, creep, and hysteresis were assessed, and found to be in line with the macroscopic time-dependent response of silk fibers. Our results suggest the amorphous phase to be the primary source of viscosity in silk and open up the avenue for finite element method studies of silk fiber mechanics including viscous effects. PMID:24896131

Neutrinoless Double Beta Decay Matrix Elements in Light Nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pastore, S.; Carlson, J.; Cirigliano, V.

We present the first ab initio calculations of neutrinoless double-β decay matrix elements in A=6-12 nuclei using variational Monte Carlo wave functions obtained from the Argonne v 18 two-nucleon potential and Illinois-7 three-nucleon interaction. We study both light Majorana neutrino exchange and potentials arising from a large class of multi-TeV mechanisms of lepton-number violation. Our results provide benchmarks to be used in testing many-body methods that can be extended to the heavy nuclei of experimental interest. In light nuclei we also study the impact of two-body short-range correlations and the use of different forms for the transition operators, such asmore » those corresponding to different orders in chiral effective theory.« less

Rotordynamic analysis using the Complex Transfer Matrix: An application to elastomer supports using the viscoelastic correspondence principle

NASA Astrophysics Data System (ADS)

Varney, Philip; Green, Itzhak

2014-11-01

Numerous methods are available to calculate rotordynamic whirl frequencies, including analytic methods, finite element analysis, and the transfer matrix method. The typical real-valued transfer matrix (RTM) suffers from several deficiencies, including lengthy computation times and the inability to distinguish forward and backward whirl. Though application of complex coordinates in rotordynamic analysis is not novel per se, specific advantages gained from using such coordinates in a transfer matrix analysis have yet to be elucidated. The present work employs a complex coordinate redefinition of the transfer matrix to obtain reduced forms of the elemental transfer matrices in inertial and rotating reference frames, including external stiffness and damping. Application of the complex-valued state variable redefinition results in a reduction of the 8×8 RTM to the 4×4 Complex Transfer Matrix (CTM). The CTM is advantageous in that it intrinsically separates forward and backward whirl, eases symbolic manipulation by halving the transfer matrices’ dimension, and provides significant improvement in computation time. A symbolic analysis is performed on a simple overhung rotor to demonstrate the mathematical motivation for whirl frequency separation. The CTM's utility is further shown by analyzing a rotordynamic system supported by viscoelastic elastomer rings. Viscoelastic elastomer ring supports can provide significant damping while reducing the cost and complexity associated with conventional components such as squeeze film dampers. The stiffness and damping of a viscoelastic damper ring are determined herein as a function of whirl frequency using the viscoelastic correspondence principle and a constitutive fractional calculus viscoelasticity model. The CTM is then employed to obtain the characteristic equation, where the whirl frequency dependent stiffness and damping of the elastomer supports are included. The Campbell diagram is shown, demonstrating the CTM's ability to intrinsically separate synchronous whirl direction for a non-trivial rotordynamic system. Good agreement is found between the CTM results and previously obtained analytic and experimental results for the elastomer ring supported rotordynamic system.

Passive beam forming and spatial diversity in meteor scatter communication systems

NASA Astrophysics Data System (ADS)

Akram, Ammad; Cannon, Paul S.

1996-03-01

The method of passive beam formation using a four-element Butler matrix to improve the signal availability of meteor scatter communication systems is investigated. Signal availability, defined as the integrated time that the signal-to-noise ratio (snr) exceeds some snr threshold, serves as an important indicator of system performance. Butler matrix signal availability is compared with the performance of a single four-element Yagi reference system using ˜6.5 hours of data from a 720 km north-south temperate latitude link. The signal availability improvement factor of the Butler matrix is found to range between 1.6-1.8 over the snr threshold range of 20-30 dB in a 300-Hz bandwidth. Experimental values of the Butler matrix signal availability improvement factor are compared with analytical predictions. The experimental values show an expected snr threshold dependency with a dramatic increase at high snr. A theoretical analysis is developed to describe this increase. The signal availability can be further improved by ˜10-20% in a system employing two four-element Butler matrices with squinted beams so as to illuminate the sky with eight high-gain beams. Space diversity is found to increase the signal availability of a single antenna system by ˜10-15%, but the technique has very little advantage in a system already employing passive beam formation.

Atomic spectrometry and trends in clinical laboratory medicine

NASA Astrophysics Data System (ADS)

Parsons, Patrick J.; Barbosa, Fernando

2007-09-01

Increasing numbers of clinical laboratories are transitioning away from flame and electrothermal AAS methods to those based on ICP-MS. Still, for many laboratories, the choice of instrumentation is based upon (a) the element(s) to be determined, (b) the matrix/matrices to be analyzed, and (c) the expected concentration(s) of the analytes in the matrix. Most clinical laboratories specialize in measuring Se, Zn, Cu, and Al in serum, and/or Pb, Cd, Hg, As, and Cr in blood and/or urine, while other trace elements (e.g., Pt, Au etc.) are measured for therapeutic purposes. Quantitative measurement of elemental species is becoming more widely accepted for nutritional and/or toxicological screening purposes, and ICP-MS interfaced with separation techniques, such as liquid chromatography or capillary electrophoresis, offers the advantage of on-line species determination coupled with very low detection limits. Polyatomic interferences for some key elements such as Se, As, and Cr require instrumentation equipped with dynamic reaction cell or collision cell technologies, or might even necessitate the use of sector field ICP-MS, to assure accurate results. Nonetheless, whatever analytical method is selected for the task, careful consideration must be given both to specimen collection procedures and to the control of pre-analytical variables. Finally, all methods benefit from access to reliable certified reference materials (CRMs). While a variety of reference materials (RMs) are available for trace element measurements in clinical matrices, not all can be classified as CRMs. The major metrological organizations (e.g., NIST, IRMM, NIES) provide a limited number of clinical CRMs, however, secondary reference materials are readily available from commercial organizations and organizers of external quality assessment schemes.

A fast object-oriented Matlab implementation of the Reproducing Kernel Particle Method

NASA Astrophysics Data System (ADS)

Barbieri, Ettore; Meo, Michele

2012-05-01

Novel numerical methods, known as Meshless Methods or Meshfree Methods and, in a wider perspective, Partition of Unity Methods, promise to overcome most of disadvantages of the traditional finite element techniques. The absence of a mesh makes meshfree methods very attractive for those problems involving large deformations, moving boundaries and crack propagation. However, meshfree methods still have significant limitations that prevent their acceptance among researchers and engineers, namely the computational costs. This paper presents an in-depth analysis of computational techniques to speed-up the computation of the shape functions in the Reproducing Kernel Particle Method and Moving Least Squares, with particular focus on their bottlenecks, like the neighbour search, the inversion of the moment matrix and the assembly of the stiffness matrix. The paper presents numerous computational solutions aimed at a considerable reduction of the computational times: the use of kd-trees for the neighbour search, sparse indexing of the nodes-points connectivity and, most importantly, the explicit and vectorized inversion of the moment matrix without using loops and numerical routines.

System Matrix Analysis for Computed Tomography Imaging

PubMed Central

Flores, Liubov; Vidal, Vicent; Verdú, Gumersindo

2015-01-01

In practical applications of computed tomography imaging (CT), it is often the case that the set of projection data is incomplete owing to the physical conditions of the data acquisition process. On the other hand, the high radiation dose imposed on patients is also undesired. These issues demand that high quality CT images can be reconstructed from limited projection data. For this reason, iterative methods of image reconstruction have become a topic of increased research interest. Several algorithms have been proposed for few-view CT. We consider that the accurate solution of the reconstruction problem also depends on the system matrix that simulates the scanning process. In this work, we analyze the application of the Siddon method to generate elements of the matrix and we present results based on real projection data. PMID:26575482

Thermal shock induced dynamics of a spacecraft with a flexible deploying boom

NASA Astrophysics Data System (ADS)

Shen, Zhenxing; Li, Huijian; Liu, Xiaoning; Hu, Gengkai

2017-12-01

The dynamics in the process of deployment of a flexible extendible boom as a deployable structure on the spacecraft is studied. For determining the thermally induced vibrations of the boom subjected to an incident solar heat flux, an axially moving thermal-dynamic beam element based on the absolute nodal coordinate formulation which is able to precisely describe the large displacement, rotation and deformation of flexible body is presented. For the elastic forces formulation of variable-length beam element, the enhanced continuum mechanics approach is adopted, which can eliminate the Poisson locking effect, and take into account the tension-bending-torsion coupling deformations. The main body of the spacecraft, modeled as a rigid body, is described using the natural coordinates method. In the derived nonlinear thermal-dynamic equations of rigid-flexible multibody system, the mass matrix is time-variant, and a pseudo damping matrix which is without actual energy dissipation, and a heat conduction matrix which is relative to the moving speed and the number of beam element are arisen. Numerical results give the dynamic and thermal responses of the nonrotating and spinning spacecraft, respectively, and show that thermal shock has a significant influence on the dynamics of spacecraft.

A hybrid finite element-transfer matrix model for vibroacoustic systems with flat and homogeneous acoustic treatments.

PubMed

Alimonti, Luca; Atalla, Noureddine; Berry, Alain; Sgard, Franck

2015-02-01

Practical vibroacoustic systems involve passive acoustic treatments consisting of highly dissipative media such as poroelastic materials. The numerical modeling of such systems at low to mid frequencies typically relies on substructuring methodologies based on finite element models. Namely, the master subsystems (i.e., structural and acoustic domains) are described by a finite set of uncoupled modes, whereas condensation procedures are typically preferred for the acoustic treatments. However, although accurate, such methodology is computationally expensive when real life applications are considered. A potential reduction of the computational burden could be obtained by approximating the effect of the acoustic treatment on the master subsystems without introducing physical degrees of freedom. To do that, the treatment has to be assumed homogeneous, flat, and of infinite lateral extent. Under these hypotheses, simple analytical tools like the transfer matrix method can be employed. In this paper, a hybrid finite element-transfer matrix methodology is proposed. The impact of the limiting assumptions inherent within the analytical framework are assessed for the case of plate-cavity systems involving flat and homogeneous acoustic treatments. The results prove that the hybrid model can capture the qualitative behavior of the vibroacoustic system while reducing the computational effort.

An Analysis of Nondestructive Evaluation Techniques for Polymer Matrix Composite Sandwich Materials

NASA Technical Reports Server (NTRS)

Cosgriff, Laura M.; Roberts, Gary D.; Binienda, Wieslaw K.; Zheng, Diahua; Averbeck, Timothy; Roth, Donald J.; Jeanneau, Philippe

2006-01-01

Structural sandwich materials composed of triaxially braided polymer matrix composite material face sheets sandwiching a foam core are being utilized for applications including aerospace components and recreational equipment. Since full scale components are being made from these sandwich materials, it is necessary to develop proper inspection practices for their manufacture and in-field use. Specifically, nondestructive evaluation (NDE) techniques need to be investigated for analysis of components made from these materials. Hockey blades made from sandwich materials and a flat sandwich sample were examined with multiple NDE techniques including thermographic, radiographic, and shearographic methods to investigate damage induced in the blades and flat panel components. Hockey blades used during actual play and a flat polymer matrix composite sandwich sample with damage inserted into the foam core were investigated with each technique. NDE images from the samples were presented and discussed. Structural elements within each blade were observed with radiographic imaging. Damaged regions and some structural elements of the hockey blades were identified with thermographic imaging. Structural elements, damaged regions, and other material variations were detected in the hockey blades with shearography. Each technique s advantages and disadvantages were considered in making recommendations for inspection of components made from these types of materials.

Comparison of the convolution quadrature method and enhanced inverse FFT with application in elastodynamic boundary element method

NASA Astrophysics Data System (ADS)

Schanz, Martin; Ye, Wenjing; Xiao, Jinyou

2016-04-01

Transient problems can often be solved with transformation methods, where the inverse transformation is usually performed numerically. Here, the discrete Fourier transform in combination with the exponential window method is compared with the convolution quadrature method formulated as inverse transformation. Both are inverse Laplace transforms, which are formally identical but use different complex frequencies. A numerical study is performed, first with simple convolution integrals and, second, with a boundary element method (BEM) for elastodynamics. Essentially, when combined with the BEM, the discrete Fourier transform needs less frequency calculations, but finer mesh compared to the convolution quadrature method to obtain the same level of accuracy. If further fast methods like the fast multipole method are used to accelerate the boundary element method the convolution quadrature method is better, because the iterative solver needs much less iterations to converge. This is caused by the larger real part of the complex frequencies necessary for the calculation, which improves the conditions of system matrix.

Reducing computational costs in large scale 3D EIT by using a sparse Jacobian matrix with block-wise CGLS reconstruction.

PubMed

Yang, C L; Wei, H Y; Adler, A; Soleimani, M

2013-06-01

Electrical impedance tomography (EIT) is a fast and cost-effective technique to provide a tomographic conductivity image of a subject from boundary current-voltage data. This paper proposes a time and memory efficient method for solving a large scale 3D EIT inverse problem using a parallel conjugate gradient (CG) algorithm. The 3D EIT system with a large number of measurement data can produce a large size of Jacobian matrix; this could cause difficulties in computer storage and the inversion process. One of challenges in 3D EIT is to decrease the reconstruction time and memory usage, at the same time retaining the image quality. Firstly, a sparse matrix reduction technique is proposed using thresholding to set very small values of the Jacobian matrix to zero. By adjusting the Jacobian matrix into a sparse format, the element with zeros would be eliminated, which results in a saving of memory requirement. Secondly, a block-wise CG method for parallel reconstruction has been developed. The proposed method has been tested using simulated data as well as experimental test samples. Sparse Jacobian with a block-wise CG enables the large scale EIT problem to be solved efficiently. Image quality measures are presented to quantify the effect of sparse matrix reduction in reconstruction results.

Acoustic coupled fluid-structure interactions using a unified fast multipole boundary element method.

PubMed

Wilkes, Daniel R; Duncan, Alec J

2015-04-01

This paper presents a numerical model for the acoustic coupled fluid-structure interaction (FSI) of a submerged finite elastic body using the fast multipole boundary element method (FMBEM). The Helmholtz and elastodynamic boundary integral equations (BIEs) are, respectively, employed to model the exterior fluid and interior solid domains, and the pressure and displacement unknowns are coupled between conforming meshes at the shared boundary interface to achieve the acoustic FSI. The low frequency FMBEM is applied to both BIEs to reduce the algorithmic complexity of the iterative solution from O(N(2)) to O(N(1.5)) operations per matrix-vector product for N boundary unknowns. Numerical examples are presented to demonstrate the algorithmic and memory complexity of the method, which are shown to be in good agreement with the theoretical estimates, while the solution accuracy is comparable to that achieved by a conventional finite element-boundary element FSI model.

A partially penalty immersed Crouzeix-Raviart finite element method for interface problems.

PubMed

An, Na; Yu, Xijun; Chen, Huanzhen; Huang, Chaobao; Liu, Zhongyan

2017-01-01

The elliptic equations with discontinuous coefficients are often used to describe the problems of the multiple materials or fluids with different densities or conductivities or diffusivities. In this paper we develop a partially penalty immersed finite element (PIFE) method on triangular grids for anisotropic flow models, in which the diffusion coefficient is a piecewise definite-positive matrix. The standard linear Crouzeix-Raviart type finite element space is used on non-interface elements and the piecewise linear Crouzeix-Raviart type immersed finite element (IFE) space is constructed on interface elements. The piecewise linear functions satisfying the interface jump conditions are uniquely determined by the integral averages on the edges as degrees of freedom. The PIFE scheme is given based on the symmetric, nonsymmetric or incomplete interior penalty discontinuous Galerkin formulation. The solvability of the method is proved and the optimal error estimates in the energy norm are obtained. Numerical experiments are presented to confirm our theoretical analysis and show that the newly developed PIFE method has optimal-order convergence in the [Formula: see text] norm as well. In addition, numerical examples also indicate that this method is valid for both the isotropic and the anisotropic elliptic interface problems.

The multifacet graphically contracted function method. I. Formulation and implementation

NASA Astrophysics Data System (ADS)

Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R.

2014-08-01

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N2n4) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

The multifacet graphically contracted function method. I. Formulation and implementation.

PubMed

Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R

2014-08-14

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N(2)n(4)) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

Exploiting symmetries in the modeling and analysis of tires

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Andersen, C. M.; Tanner, John A.

1989-01-01

A computational procedure is presented for reducing the size of the analysis models of tires having unsymmetric material, geometry and/or loading. The two key elements of the procedure when applied to anisotropic tires are: (1) decomposition of the stiffness matrix into the sum of an orthotropic and nonorthotropic parts; and (2) successive application of the finite-element method and the classical Rayleigh-Ritz technique. The finite-element method is first used to generate few global approximation vectors (or modes). Then the amplitudes of these modes are computed by using the Rayleigh-Ritz technique. The proposed technique has high potential for handling practical tire problems with anisotropic materials, unsymmetric imperfections and asymmetric loading. It is also particularly useful for use with three-dimensional finite-element models of tires.

Radiation and scattering from printed antennas on cylindrically conformal platforms

NASA Technical Reports Server (NTRS)

Kempel, Leo C.; Volakis, John L.; Bindiganavale, Sunil

1994-01-01

The goal was to develop suitable methods and software for the analysis of antennas on cylindrical coated and uncoated platforms. Specifically, the finite element boundary integral and finite element ABC methods were employed successfully and associated software were developed for the analysis and design of wraparound and discrete cavity-backed arrays situated on cylindrical platforms. This work led to the successful implementation of analysis software for such antennas. Developments which played a role in this respect are the efficient implementation of the 3D Green's function for a metallic cylinder, the incorporation of the fast Fourier transform in computing the matrix-vector products executed in the solver of the finite element-boundary integral system, and the development of a new absorbing boundary condition for terminating the finite element mesh on cylindrical surfaces.

Analysis of metal-matrix composite structures. I - Micromechanics constitutive theory. II - Laminate analyses

NASA Technical Reports Server (NTRS)

Arenburg, R. T.; Reddy, J. N.

1991-01-01

The micromechanical constitutive theory is used to examine the nonlinear behavior of continuous-fiber-reinforced metal-matrix composite structures. Effective lamina constitutive relations based on the Abouli micromechanics theory are presented. The inelastic matrix behavior is modeled by the unified viscoplasticity theory of Bodner and Partom. The laminate constitutive relations are incorporated into a first-order deformation plate theory. The resulting boundary value problem is solved by utilizing the finite element method. Attention is also given to computational aspects of the numerical solution, including the temporal integration of the inelastic strains and the spatial integration of bending moments. Numerical results the nonlinear response of metal matrix composites subjected to extensional and bending loads are presented.

A Note on Procrustean Rotation in Exploratory Factor Analysis: A Computer Intensive Approach to Goodness-of-Fit Evaluation.

ERIC Educational Resources Information Center

Raykov, Tenko; Little, Todd D.

1999-01-01

Describes a method for evaluating results of Procrustean rotation to a target factor pattern matrix in exploratory factor analysis. The approach, based on the bootstrap method, yields empirical approximations of the sampling distributions of: (1) differences between target elements and rotated factor pattern matrices; and (2) the overall…

Inductively Coupled Plasma Optical Emission Spectrometry for Rare Earth Elements Analysis

NASA Astrophysics Data System (ADS)

He, Man; Hu, Bin; Chen, Beibei; Jiang, Zucheng

2017-01-01

Inductively coupled plasma optical emission spectrometry (ICP-OES) merits multielements capability, high sensitivity, good reproducibility, low matrix effect and wide dynamic linear range for rare earth elements (REEs) analysis. But the spectral interference in trace REEs analysis by ICP-OES is a serious problem due to the complicated emission spectra of REEs, which demands some correction technology including interference factor method, derivative spectrum, Kalman filtering algorithm and partial least-squares (PLS) method. Matrix-matching calibration, internal standard, correction factor and sample dilution are usually employed to overcome or decrease the matrix effect. Coupled with various sample introduction techniques, the analytical performance of ICP-OES for REEs analysis would be improved. Compared with conventional pneumatic nebulization (PN), acid effect and matrix effect are decreased to some extent in flow injection ICP-OES, with higher tolerable matrix concentration and better reproducibility. By using electrothermal vaporization as sample introduction system, direct analysis of solid samples by ICP-OES is achieved and the vaporization behavior of refractory REEs with high boiling point, which can easily form involatile carbides in the graphite tube, could be improved by using chemical modifier, such as polytetrafluoroethylene and 1-phenyl-3-methyl-4-benzoyl-5-pyrazone. Laser ablation-ICP-OES is suitable for the analysis of both conductive and nonconductive solid samples, with the absolute detection limit of ng-pg level and extremely low sample consumption (0.2 % of that in conventional PN introduction). ICP-OES has been extensively employed for trace REEs analysis in high-purity materials, and environmental and biological samples.

A Fast MoM Solver (GIFFT) for Large Arrays of Microstrip and Cavity-Backed Antennas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fasenfest, B J; Capolino, F; Wilton, D

2005-02-02

A straightforward numerical analysis of large arrays of arbitrary contour (and possibly missing elements) requires large memory storage and long computation times. Several techniques are currently under development to reduce this cost. One such technique is the GIFFT (Green's function interpolation and FFT) method discussed here that belongs to the class of fast solvers for large structures. This method uses a modification of the standard AIM approach [1] that takes into account the reusability properties of matrices that arise from identical array elements. If the array consists of planar conducting bodies, the array elements are meshed using standard subdomain basismore » functions, such as the RWG basis. The Green's function is then projected onto a sparse regular grid of separable interpolating polynomials. This grid can then be used in a 2D or 3D FFT to accelerate the matrix-vector product used in an iterative solver [2]. The method has been proven to greatly reduce solve time by speeding up the matrix-vector product computation. The GIFFT approach also reduces fill time and memory requirements, since only the near element interactions need to be calculated exactly. The present work extends GIFFT to layered material Green's functions and multiregion interactions via slots in ground planes. In addition, a preconditioner is implemented to greatly reduce the number of iterations required for a solution. The general scheme of the GIFFT method is reported in [2]; this contribution is limited to presenting new results for array antennas made of slot-excited patches and cavity-backed patch antennas.« less

Iterative methods for mixed finite element equations

NASA Technical Reports Server (NTRS)

Nakazawa, S.; Nagtegaal, J. C.; Zienkiewicz, O. C.

1985-01-01

Iterative strategies for the solution of indefinite system of equations arising from the mixed finite element method are investigated in this paper with application to linear and nonlinear problems in solid and structural mechanics. The augmented Hu-Washizu form is derived, which is then utilized to construct a family of iterative algorithms using the displacement method as the preconditioner. Two types of iterative algorithms are implemented. Those are: constant metric iterations which does not involve the update of preconditioner; variable metric iterations, in which the inverse of the preconditioning matrix is updated. A series of numerical experiments is conducted to evaluate the numerical performance with application to linear and nonlinear model problems.

Rapid wide-field Mueller matrix polarimetry imaging based on four photoelastic modulators with no moving parts.

PubMed

Alali, Sanaz; Gribble, Adam; Vitkin, I Alex

2016-03-01

A new polarimetry method is demonstrated to image the entire Mueller matrix of a turbid sample using four photoelastic modulators (PEMs) and a charge coupled device (CCD) camera, with no moving parts. Accurate wide-field imaging is enabled with a field-programmable gate array (FPGA) optical gating technique and an evolutionary algorithm (EA) that optimizes imaging times. This technique accurately and rapidly measured the Mueller matrices of air, polarization elements, and turbid phantoms. The system should prove advantageous for Mueller matrix analysis of turbid samples (e.g., biological tissues) over large fields of view, in less than a second.

Thermomechanical and Environmental Durability of Environmental Barrier Coated Ceramic Matrix Composites Under Thermal Gradients

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Bhatt, Ramakrishna T.; Harder, Bryan

2016-01-01

This paper presents the developments of thermo-mechanical testing approaches and durability performance of environmental barrier coatings (EBCs) and EBC coated SiCSiC ceramic matrix composites (CMCs). Critical testing aspects of the CMCs will be described, including state of the art instrumentations such as temperature, thermal gradient, and full field strain measurements; materials thermal conductivity evolutions and thermal stress resistance; NDE methods; thermo-mechanical stress and environment interactions associated damage accumulations. Examples are also given for testing ceramic matrix composite sub-elements and small airfoils to help better understand the critical and complex CMC and EBC properties in engine relevant testing environments.

Dynamic graph system for a semantic database

DOEpatents

Mizell, David

2016-04-12

A method and system in a computer system for dynamically providing a graphical representation of a data store of entries via a matrix interface is disclosed. A dynamic graph system provides a matrix interface that exposes to an application program a graphical representation of data stored in a data store such as a semantic database storing triples. To the application program, the matrix interface represents the graph as a sparse adjacency matrix that is stored in compressed form. Each entry of the data store is considered to represent a link between nodes of the graph. Each entry has a first field and a second field identifying the nodes connected by the link and a third field with a value for the link that connects the identified nodes. The first, second, and third fields represent the rows, column, and elements of the adjacency matrix.

Dynamic graph system for a semantic database

DOEpatents

Mizell, David

2015-01-27

A method and system in a computer system for dynamically providing a graphical representation of a data store of entries via a matrix interface is disclosed. A dynamic graph system provides a matrix interface that exposes to an application program a graphical representation of data stored in a data store such as a semantic database storing triples. To the application program, the matrix interface represents the graph as a sparse adjacency matrix that is stored in compressed form. Each entry of the data store is considered to represent a link between nodes of the graph. Each entry has a first field and a second field identifying the nodes connected by the link and a third field with a value for the link that connects the identified nodes. The first, second, and third fields represent the rows, column, and elements of the adjacency matrix.

Singular boundary method for wave propagation analysis in periodic structures

NASA Astrophysics Data System (ADS)

Fu, Zhuojia; Chen, Wen; Wen, Pihua; Zhang, Chuanzeng

2018-07-01

A strong-form boundary collocation method, the singular boundary method (SBM), is developed in this paper for the wave propagation analysis at low and moderate wavenumbers in periodic structures. The SBM is of several advantages including mathematically simple, easy-to-program, meshless with the application of the concept of origin intensity factors in order to eliminate the singularity of the fundamental solutions and avoid the numerical evaluation of the singular integrals in the boundary element method. Due to the periodic behaviors of the structures, the SBM coefficient matrix can be represented as a block Toeplitz matrix. By employing three different fast Toeplitz-matrix solvers, the computational time and storage requirements are significantly reduced in the proposed SBM analysis. To demonstrate the effectiveness of the proposed SBM formulation for wave propagation analysis in periodic structures, several benchmark examples are presented and discussed The proposed SBM results are compared with the analytical solutions, the reference results and the COMSOL software.

Semiclassical S-matrix for black holes

DOE PAGES

Bezrukov, Fedor; Levkov, Dmitry; Sibiryakov, Sergey

2015-12-01

In this study, we propose a semiclassical method to calculate S-matrix elements for two-stage gravitational transitions involving matter collapse into a black hole and evaporation of the latter. The method consistently incorporates back-reaction of the collapsing and emitted quanta on the metric. We illustrate the method in several toy models describing spherical self-gravitating shells in asymptotically flat and AdS space-times. We find that electrically neutral shells reflect via the above collapse-evaporation process with probability exp(–B), where B is the Bekenstein-Hawking entropy of the intermediate black hole. This is consistent with interpretation of exp(B) as the number of black hole states.more » The same expression for the probability is obtained in the case of charged shells if one takes into account instability of the Cauchy horizon of the intermediate Reissner-Nordström black hole. As a result, our semiclassical method opens a new systematic approach to the gravitational S-matrix in the non-perturbative regime.« less

Deterministic control of broadband light through a multiply scattering medium via the multispectral transmission matrix

PubMed Central

Andreoli, Daria; Volpe, Giorgio; Popoff, Sébastien; Katz, Ori; Grésillon, Samuel; Gigan, Sylvain

2015-01-01

We present a method to measure the spectrally-resolved transmission matrix of a multiply scattering medium, thus allowing for the deterministic spatiospectral control of a broadband light source by means of wavefront shaping. As a demonstration, we show how the medium can be used to selectively focus one or many spectral components of a femtosecond pulse, and how it can be turned into a controllable dispersive optical element to spatially separate different spectral components to arbitrary positions. PMID:25965944

E-beam-Cure Fabrication of Polymer Fiber/Matrix Composites for Multifunctional Radiation Shielding

NASA Technical Reports Server (NTRS)

Wilson, John W.; Jensen, Brian J.; Thibeault, Sheila A.; Hou, Tan-Hung; Saether, Erik; Glaessgen, Edward H.; Humes, Donald H.; Chang, Chie K.; Badavi, Francis F.; Kiefer, Rrichard L.;

Density matrix Monte Carlo modeling of quantum cascade lasers

NASA Astrophysics Data System (ADS)

Jirauschek, Christian

2017-10-01

By including elements of the density matrix formalism, the semiclassical ensemble Monte Carlo method for carrier transport is extended to incorporate incoherent tunneling, known to play an important role in quantum cascade lasers (QCLs). In particular, this effect dominates electron transport across thick injection barriers, which are frequently used in terahertz QCL designs. A self-consistent model for quantum mechanical dephasing is implemented, eliminating the need for empirical simulation parameters. Our modeling approach is validated against available experimental data for different types of terahertz QCL designs.

Eigenvalue computations with the QUAD4 consistent-mass matrix

NASA Technical Reports Server (NTRS)

Butler, Thomas A.

1990-01-01

The NASTRAN user has the option of using either a lumped-mass matrix or a consistent- (coupled-) mass matrix with the QUAD4 shell finite element. At the Sixteenth NASTRAN Users' Colloquium (1988), Melvyn Marcus and associates of the David Taylor Research Center summarized a study comparing the results of the QUAD4 element with results of other NASTRAN shell elements for a cylindrical-shell modal analysis. Results of this study, in which both the lumped-and consistent-mass matrix formulations were used, implied that the consistent-mass matrix yielded poor results. In an effort to further evaluate the consistent-mass matrix, a study was performed using both a cylindrical-shell geometry and a flat-plate geometry. Modal parameters were extracted for several modes for both geometries leading to some significant conclusions. First, there do not appear to be any fundamental errors associated with the consistent-mass matrix. However, its accuracy is quite different for the two different geometries studied. The consistent-mass matrix yields better results for the flat-plate geometry and the lumped-mass matrix seems to be the better choice for cylindrical-shell geometries.

Neutrinoless ββ decay mediated by the exchange of light and heavy neutrinos: the role of nuclear structure correlations

NASA Astrophysics Data System (ADS)

Menéndez, J.

2018-01-01

Neutrinoless β β decay nuclear matrix elements calculated with the shell model and energy-density functional theory typically disagree by more than a factor of two in the standard scenario of light-neutrino exchange. In contrast, for a decay mediated by sterile heavy neutrinos the deviations are reduced to about 50%, an uncertainty similar to the one due to short-range effects. We compare matrix elements in the light- and heavy-neutrino-exchange channels, exploring the radial, momentum transfer and angular momentum-parity matrix element distributions, and considering transitions that involve correlated and uncorrelated nuclear states. We argue that the shorter-range heavy-neutrino exchange is less sensitive to collective nuclear correlations, and that discrepancies in matrix elements are mostly due to the treatment of long-range correlations in many-body calculations. Our analysis supports previous studies suggesting that isoscalar pairing correlations, which affect mostly the longer-range part of the neutrinoless β β decay operator, are partially responsible for the differences between nuclear matrix elements in the standard light-neutrino-exchange mechanism.

Elastic plate spallation

NASA Technical Reports Server (NTRS)

Oline, L.; Medaglia, J.

1972-01-01

The dynamic finite element method was used to investigate elastic stress waves in a plate. Strain displacement and stress strain relations are discussed along with the stiffness and mass matrix. The results of studying point load, and distributed load over small, intermediate, and large radii are reported. The derivation of finite element matrices, and the derivation of lumped and consistent matrices for one dimensional problems with Laplace transfer solutions are included. The computer program JMMSPALL is also included.

Performance analysis of landslide early warning systems at regional scale: the EDuMaP method

NASA Astrophysics Data System (ADS)

Piciullo, Luca; Calvello, Michele

2016-04-01

Landslide early warning systems (LEWSs) reduce landslide risk by disseminating timely and meaningful warnings when the level of risk is judged intolerably high. Two categories of LEWSs, can be defined on the basis of their scale of analysis: "local" systems and "regional" systems. LEWSs at regional scale (ReLEWSs) are used to assess the probability of occurrence of landslides over appropriately-defined homogeneous warning zones of relevant extension, typically through the prediction and monitoring of meteorological variables, in order to give generalized warnings to the public. Despite many studies on ReLEWSs, no standard requirements exist for assessing their performance. Empirical evaluations are often carried out by simply analysing the time frames during which significant high-consequence landslides occurred in the test area. Alternatively, the performance evaluation is based on 2x2 contingency tables computed for the joint frequency distribution of landslides and alerts, both considered as dichotomous variables. In all these cases, model performance is assessed neglecting some important aspects which are peculiar to ReLEWSs, among which: the possible occurrence of multiple landslides in the warning zone; the duration of the warnings in relation to the time of occurrence of the landslides; the level of the warning issued in relation to the landslide spatial density in the warning zone; the relative importance system managers attribute to different types of errors. An original approach, called EDuMaP method, is proposed to assess the performance of landslide early warning models operating at regional scale. The method is composed by three main phases: Events analysis, Duration Matrix, Performance analysis. The events analysis phase focuses on the definition of landslide (LEs) and warning events (WEs), which are derived from available landslides and warnings databases according to their spatial and temporal characteristics by means of ten input parameters. The evaluation of time associated with the occurrence of landslide events (LE) in relation to the occurrence of warning events (WE) in their respective classes is a fundamental step to determine the duration matrix elements. On the other hand the classification of LEs and WEs establishes the structure of the duration matrix. Indeed, the number of rows and columns of the matrix is equal to the number of classes defined for the warning and landslide events, respectively. Thus the matrix is not expressed as a 2x2 contingency and LEs and WEs are not expressed as dichotomous variables. The final phase of the method is the evaluation of the duration matrix based on a set of performance criteria assigning a performance meaning to the element of the matrix. To this aim different criteria can be defined, for instance employing an alert classification scheme derived from 2x2 contingency tables or assigning a colour code to the elements of the matrix in relation to their grade of correctness. Finally, performance indicators can be derived from the performance criteria to quantify successes and errors of the early warning models. EDuMaP has been already applied to different real case studies, highlighting the adaptability of the method to analyse the performance of structurally different ReLEWSs.

Development and certification of the new SRM 695 trace elements in multi-nutrient fertilizer

USGS Publications Warehouse

MacKey, E.A.; Cronise, M.P.; Fales, C.N.; Greenberg, R.R.; Leigh, S.D.; Long, S.E.; Marlow, A.F.; Murphy, K.E.; Oflaz, R.; Sieber, J.R.; Rearick, M.S.; Wood, L.J.; Yu, L.L.; Wilson, S.A.; Briggs, P.H.; Brown, Z.A.; Budahn, J.; Kane, P.F.; Hall, W.L.

2007-01-01

During the past seven years, several states within the US have enacted regulations that limit the amounts of selected non-nutritive elements in fertilizers. Internationally, several countries, including Japan, China, and Australia, and the European Union also limit the amount of selected elements in fertilizers. The elements of interest include As, Cd, Co, Cr, Cu, Hg, Mo, Ni, Pb, Se, and Zn. Fertilizer manufacturers and state regulatory authorities, faced with meeting and verifying these limits, need to develop analytical methods for determination of the elements of concern and to validate results obtained using these methods. Until now, there were no certified reference materials available with certified mass fraction values for all elements of interest in a blended, multi-nutrient fertilizer matrix. A new standard reference material (SRM) 695 trace elements in multi-nutrient fertilizer, has been developed to help meet these needs. SRM 695 has recently been issued with certified mass fraction values for seventeen elements, reference values for an additional five elements, and information values for two elements. The certificate of analysis includes an addendum listing percentage recovery for eight of these elements, determined using an acid-extraction inductively-coupled plasma optical-emission spectrometry (ICP-OES) method recently developed and tested by members of the Association of American Plant Food Control Officials. ?? Springer-Verlag 2007.

Quantification of multiple elements in dried blood spot samples.

PubMed

Pedersen, Lise; Andersen-Ranberg, Karen; Hollergaard, Mads; Nybo, Mads

2017-08-01

Dried blood spots (DBS) is a unique matrix that offers advantages compared to conventional blood collection making it increasingly popular in large population studies. We here describe development and validation of a method to determine multiple elements in DBS. Elements were extracted from punches and analyzed using inductively coupled plasma-mass spectrometry (ICP-MS). The method was evaluated with quality controls with defined element concentration and blood spiked with elements to assess accuracy and imprecision. DBS element concentrations were compared with concentrations in venous blood. Samples with different hematocrit were spotted onto filter paper to assess hematocrit effect. The established method was precise and accurate for measurement of most elements in DBS. There was a significant but relatively weak correlation between measurement of the elements Mg, K, Fe, Cu, Zn, As and Se in DBS and venous whole blood. Hematocrit influenced the DBS element measurement, especially for K, Fe and Zn. Trace elements can be measured with high accuracy and low imprecision in DBS, but contribution of signal from the filter paper influences measurement of some elements present at low concentrations. Simultaneous measurement of K and Fe in DBS extracts may be used to estimate sample hematocrit. Copyright © 2017 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

Dispersoid reinforced alloy powder and method of making

DOEpatents

Anderson, Iver E; Terpstra, Robert L

2014-10-21

A method of making dispersion-strengthened alloy particles involves melting an alloy having a corrosion and/or oxidation resistance-imparting alloying element, a dispersoid-forming element, and a matrix metal wherein the dispersoid-forming element exhibits a greater tendency to react with a reactive species acquired from an atomizing gas than does the alloying element. The melted alloy is atomized with the atomizing gas including the reactive species to form atomized particles so that the reactive species is (a) dissolved in solid solution to a depth below the surface of atomized particles and/or (b) reacted with the dispersoid-forming element to form dispersoids in the atomized particles to a depth below the surface of said atomized particles. Bodies made from the dispersion strengthened solidified particles exhibit enhanced fatigue and creep resistance and reduced wear as well as enhanced corrosion and/or oxidation resistance at high temperatures.

Analysis of coke beverages by total-reflection X-ray fluorescence

NASA Astrophysics Data System (ADS)

Fernández-Ruiz, Ramón; von Bohlen, Alex; Friedrich K, E. Josue; Redrejo, M. J.

2018-07-01

The influence of the organic content, sample preparation process and the morphology of the depositions of two types of Coke beverage, traditional and light Coke, have been investigated by mean of Total-reflection X-ray Fluorescence (TXRF) spectrometry. Strong distortions of the nominal concentration values, up to 128% for P, have been detected in the analysis of traditional Coke by different preparation methods. These differences have been correlated with the edge X-ray energies of the elements analyzed being more pronounced for the lighter elements. The influence of the organic content (mainly sugar) was evaluated comparing traditional and light Coke analytical TXRF results. Three sample preparation methods have been evaluated as follows: direct TXRF analysis of the sample only adding internal standard, TXRF analysis after open vessel acid digestion and TXRF analysis after high pressure and temperature microwave-assisted acid digestion. Strong correlations were detected between quantitative results, methods of preparation and energies of the X-ray absorption edges of quantified elements. In this way, a decay behavior for the concentration differences between preparation methods and the energies of the X-ray absorption edges of each element were observed. The observed behaviors were modeled with exponential decay functions obtaining R2 correlation coefficients from 0.989 to 0.992. The strong absorption effect observed, and even possible matrix effect, can be explained by the inherent high organic content of the evaluated samples and also by the morphology and average thickness of the TXRF depositions observed. As main conclusion of this work, the analysis of light elements in samples with high organic content by TXRF, i.e. medical, biological, food or any other organic matrixes should be taken carefully. In any case, the direct analysis is not recommended and a previous microwave-assisted acid digestion, or similar, is mandatory, for the correct elemental quantification by TXRF.

Uncertainties in nuclear transition matrix elements for neutrinoless {beta}{beta} decay

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rath, P. K.

Uncertainties in nuclear transition matrix elements M{sup (0{nu})} and M{sub N}{sup (0{nu})} due to the exchange of light and heavy Majorana neutrinos, respectively have been estimated by calculating sets of twelve nuclear transition matrix elements for the neutrinoless {beta}{beta} decay of {sup 94,96}Zr, {sup 98,100}Mo, {sup 104}Ru, {sup 110}Pd, {sup 128,130}Te and {sup 150}Nd isotopes in the case of 0{sup +}{yields}0{sup +} transition by considering four different parameterizations of a Hamiltonian with pairing plus multipolar effective two-body interaction and three different parameterizations of Jastrow short range correlations. Exclusion of nuclear transition matrix elements calculated with the Miller-Spencer parametrization reduces themore » uncertainties by 10%-15%.« less

Line Interference Effects Using a Refined Robert-Bonamy Formalism: the Test Case of the Isotropic Raman Spectra of Autoperturbed N2

NASA Technical Reports Server (NTRS)

Boulet, Christian; Ma, Qiancheng; Thibault, Franck

2014-01-01

A symmetrized version of the recently developed refined Robert-Bonamy formalism [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] is proposed. This model takes into account line coupling effects and hence allows the calculation of the off-diagonal elements of the relaxation matrix, without neglecting the rotational structure of the perturbing molecule. The formalism is applied to the isotropic Raman spectra of autoperturbed N2 for which a benchmark quantum relaxation matrix has recently been proposed. The consequences of the classical path approximation are carefully analyzed. Methods correcting for effects of inelasticity are considered. While in the right direction, these corrections appear to be too crude to provide off diagonal elements which would yield, via the sum rule, diagonal elements in good agreement with the quantum results. In order to overcome this difficulty, a re-normalization procedure is applied, which ensures that the off-diagonal elements do lead to the exact quantum diagonal elements. The agreement between the (re-normalized) semi-classical and quantum relaxation matrices is excellent, at least for the Raman spectra of N2, opening the way to the analysis of more complex molecular systems.

T-matrix method in plasmonics: An overview

NASA Astrophysics Data System (ADS)

Khlebtsov, Nikolai G.

2013-07-01

Optical properties of isolated and coupled plasmonic nanoparticles (NPs) are of great interest for many applications in nanophotonics, nanobiotechnology, and nanomedicine owing to rapid progress in fabrication, characterization, and surface functionalization technologies. To simulate optical responses from plasmonic nanostructures, various electromagnetic analytical and numerical methods have been adapted, tested, and used during the past two decades. Currently, the most popular numerical techniques are those that do not suffer from geometrical and composition limitations, e.g., the discrete dipole approximation (DDA), the boundary (finite) element method (BEM, FEM), the finite difference time domain method (FDTDM), and others. However, the T-matrix method still has its own niche in plasmonic science because of its great numerical efficiency, especially for systems with randomly oriented particles and clusters. In this review, I consider the application of the T-matrix method to various plasmonic problems, including dipolar, multipolar, and anisotropic properties of metal NPs; sensing applications; surface enhanced Raman scattering; optics of 1D-3D nanoparticle assemblies; plasmonic particles and clusters near and on substrates; and manipulation of plasmonic NPs with laser tweezers.

Estimates of electronic coupling for excess electron transfer in DNA

NASA Astrophysics Data System (ADS)

Voityuk, Alexander A.

2005-07-01

Electronic coupling Vda is one of the key parameters that determine the rate of charge transfer through DNA. While there have been several computational studies of Vda for hole transfer, estimates of electronic couplings for excess electron transfer (ET) in DNA remain unavailable. In the paper, an efficient strategy is established for calculating the ET matrix elements between base pairs in a π stack. Two approaches are considered. First, we employ the diabatic-state (DS) method in which donor and acceptor are represented with radical anions of the canonical base pairs adenine-thymine (AT) and guanine-cytosine (GC). In this approach, similar values of Vda are obtained with the standard 6-31G* and extended 6-31++G** basis sets. Second, the electronic couplings are derived from lowest unoccupied molecular orbitals (LUMOs) of neutral systems by using the generalized Mulliken-Hush or fragment charge methods. Because the radical-anion states of AT and GC are well reproduced by LUMOs of the neutral base pairs calculated without diffuse functions, the estimated values of Vda are in good agreement with the couplings obtained for radical-anion states using the DS method. However, when the calculation of a neutral stack is carried out with diffuse functions, LUMOs of the system exhibit the dipole-bound character and cannot be used for estimating electronic couplings. Our calculations suggest that the ET matrix elements Vda for models containing intrastrand thymine and cytosine bases are essentially larger than the couplings in complexes with interstrand pyrimidine bases. The matrix elements for excess electron transfer are found to be considerably smaller than the corresponding values for hole transfer and to be very responsive to structural changes in a DNA stack.

High precision computing with charge domain devices and a pseudo-spectral method therefor

NASA Technical Reports Server (NTRS)

Barhen, Jacob (Inventor); Toomarian, Nikzad (Inventor); Fijany, Amir (Inventor); Zak, Michail (Inventor)

1997-01-01

The present invention enhances the bit resolution of a CCD/CID MVM processor by storing each bit of each matrix element as a separate CCD charge packet. The bits of each input vector are separately multiplied by each bit of each matrix element in massive parallelism and the resulting products are combined appropriately to synthesize the correct product. In another aspect of the invention, such arrays are employed in a pseudo-spectral method of the invention, in which partial differential equations are solved by expressing each derivative analytically as matrices, and the state function is updated at each computation cycle by multiplying it by the matrices. The matrices are treated as synaptic arrays of a neural network and the state function vector elements are treated as neurons. In a further aspect of the invention, moving target detection is performed by driving the soliton equation with a vector of detector outputs. The neural architecture consists of two synaptic arrays corresponding to the two differential terms of the soliton-equation and an adder connected to the output thereof and to the output of the detector array to drive the soliton equation.

Ultrasonic characterization of the fiber-matrix interfacial bond in aerospace composites.

PubMed

Aggelis, D G; Kleitsa, D; Matikas, T E

2013-01-01

The properties of advanced composites rely on the quality of the fiber-matrix bonding. Service-induced damage results in deterioration of bonding quality, seriously compromising the load-bearing capacity of the structure. While traditional methods to assess bonding are destructive, herein a nondestructive methodology based on shear wave reflection is numerically investigated. Reflection relies on the bonding quality and results in discernable changes in the received waveform. The key element is the "interphase" model material with varying stiffness. The study is an example of how computational methods enhance the understanding of delicate features concerning the nondestructive evaluation of materials used in advanced structures.

The FEM-R-Matrix Approach: Use of Mixed Finite Element and Gaussian Basis Sets for Electron Molecule Collisions

NASA Technical Reports Server (NTRS)

Thuemmel, Helmar T.; Huo, Winifred M.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

For the calculation of electron molecule collision cross sections R-matrix methods automatically take advantage of the division of configuration space into an inner region (I) bounded by radius tau b, where the scattered electron is within the molecular charge cloud and the system is described by an correlated Configuration Interaction (CI) treatment in close analogy to bound state calculations, and an outer region (II) where the scattered electron moves in the long-range multipole potential of the target and efficient analytic methods can be used for solving the asymptotic Schroedinger equation plus boundary conditions.

A High Order, Locally-Adaptive Method for the Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Chan, Daniel

1998-11-01

I have extended the FOSLS method of Cai, Manteuffel and McCormick (1997) and implemented it within the framework of a spectral element formulation using the Legendre polynomial basis function. The FOSLS method solves the Navier-Stokes equations as a system of coupled first-order equations and provides the ellipticity that is needed for fast iterative matrix solvers like multigrid to operate efficiently. Each element is treated as an object and its properties are self-contained. Only C^0 continuity is imposed across element interfaces; this design allows local grid refinement and coarsening without the burden of having an elaborate data structure, since only information along element boundaries is needed. With the FORTRAN 90 programming environment, I can maintain a high computational efficiency by employing a hybrid parallel processing model. The OpenMP directives provides parallelism in the loop level which is executed in a shared-memory SMP and the MPI protocol allows the distribution of elements to a cluster of SMP's connected via a commodity network. This talk will provide timing results and a comparison with a second order finite difference method.

[Determination of 27 elements in Maca nationality's medicine by microwave digestion ICP-MS].

PubMed

Yu, Gui-fang; Zhong, Hai-jie; Hu, Jun-hua; Wang, Jing; Huang, Wen-zhe; Wang, Zhen-zhong; Xiao, Wei

2015-12-01

An analysis method has been established to test 27 elements (Li, Be, B, Mg, Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, As, Sr, Mo, Cd, Sn, Sb, Ba, La, Hg, Pb, Bi) in Maca nationality's medicine with microwave digestion-ICP-MS. Sample solutions were analyzed by ICP-MS after microwave digestion, and the contents of elements were calculated according to their calibration curves, and internal standard method was adopted to reduce matrix effect and other interference effects. The experimental results showed that the linear relations of all the elements were very good; the correlation coefficient (r) was 0.9994-1.0000 (Hg was 0.9982) ; the limits of detection were 0.003-2.662 microg x L(-1); the relative standard deviations for all elements of reproducibility were lower than 5% (except the individual elements); the recovery rate were 78.5%-123.7% with RSD lower than 5% ( except the individual elements). The analytical results of standard material showed acceptable agreement with the certified values. This method was applicable to determinate the contents of multi-elements in Maca which had a high sensitivity, good specificity and good repeatability, and provide basis for the quality control of Maca.

Solving large-scale dynamic systems using band Lanczos method in Rockwell NASTRAN on CRAY X-MP

NASA Technical Reports Server (NTRS)

Gupta, V. K.; Zillmer, S. D.; Allison, R. E.

1986-01-01

The improved cost effectiveness using better models, more accurate and faster algorithms and large scale computing offers more representative dynamic analyses. The band Lanczos eigen-solution method was implemented in Rockwell's version of 1984 COSMIC-released NASTRAN finite element structural analysis computer program to effectively solve for structural vibration modes including those of large complex systems exceeding 10,000 degrees of freedom. The Lanczos vectors were re-orthogonalized locally using the Lanczos Method and globally using the modified Gram-Schmidt method for sweeping rigid-body modes and previously generated modes and Lanczos vectors. The truncated band matrix was solved for vibration frequencies and mode shapes using Givens rotations. Numerical examples are included to demonstrate the cost effectiveness and accuracy of the method as implemented in ROCKWELL NASTRAN. The CRAY version is based on RPK's COSMIC/NASTRAN. The band Lanczos method was more reliable and accurate and converged faster than the single vector Lanczos Method. The band Lanczos method was comparable to the subspace iteration method which was a block version of the inverse power method. However, the subspace matrix tended to be fully populated in the case of subspace iteration and not as sparse as a band matrix.

Reducing the orientation influence of Mueller matrix measurements for anisotropic scattering media

NASA Astrophysics Data System (ADS)

Sun, Minghao; He, Honghui; Zeng, Nan; Du, E.; He, Yonghong; Ma, Hui

2014-09-01

Mueller matrix polarimetry techniques contain rich micro-structural information of samples, such as the sizes and refractive indices of scatterers. Recently, Mueller matrix imaging methods have shown great potentials as powerful tools for biomedical diagnosis. However, the orientations of anisotropic fibrous structures in tissues have prominent influence on Mueller matrix measurements, resulting in difficulties for extracting micro-structural information effectively. In this paper, we apply the backscattering Mueller matrix imaging technique to biological samples with different microstructures, such as chicken heart muscle, bovine skeletal muscle, porcine liver and fat tissues. Experimental results show that the directions of the muscle fibers have prominent influence on the Mueller matrix elements. In order to reduce the orientation influence, we adopt the rotation-independent MMT and RLPI parameters, which were proposed in our previous studies, to the tissue samples. Preliminary results in this paper show that the orientation-independent parameters and their statistic features are helpful for analyzing the tissues to obtain their micro-structural properties. Since the micro-structure variations are often related to the pathological changes, the method can be applied to microscope imaging techniques and used to detect abnormal tissues such as cancer and other lesions for diagnosis purposes.

Axial-Current Matrix Elements in Light Nuclei from Lattice QCD

NASA Astrophysics Data System (ADS)

Savage, M.; Beane, S.; Chang, E.; Davoudi, Z.; Detmold, W.; Orginos, K.; Shanahan, P.; Tiburzi, B.; Wagman, M.; Winter, F.; Nplqcd Collaboration

I present results from the first lattice QCD calculations of axial-current matrix elements in light nuclei, performed by the NPLQCD collaboration. Precision calculations of these matrix elements, and the subsequent extraction of multi-nucleon axial-current operators, are essential in refining theoretical predictions of the proton-proton fusion cross section, neutrino-nucleus cross sections and $\\beta\\beta$-decay rates of nuclei. In addition, they are expected to shed light on the phenomenological quenching of $g_A$ that is required in nuclear many-body calculations.

Second level semi-degenerate fields in W_3 Toda theory: matrix element and differential equation

NASA Astrophysics Data System (ADS)

Belavin, Vladimir; Cao, Xiangyu; Estienne, Benoit; Santachiara, Raoul

2017-03-01

In a recent study we considered W_3 Toda 4-point functions that involve matrix elements of a primary field with the highest-weight in the adjoint representation of sl_3 . We generalize this result by considering a semi-degenerate primary field, which has one null vector at level two. We obtain a sixth-order Fuchsian differential equation for the conformal blocks. We discuss the presence of multiplicities, the matrix elements and the fusion rules.

Quantitative assessment of submicron scale anisotropy in tissue multifractality by scattering Mueller matrix in the framework of Born approximation

NASA Astrophysics Data System (ADS)

Das, Nandan Kumar; Dey, Rajib; Chakraborty, Semanti; Panigrahi, Prasanta K.; Meglinski, Igor; Ghosh, Nirmalya

2018-04-01

A number of tissue-like disordered media exhibit local anisotropy of scattering in the scaling behavior. Scaling behavior contains wealth of fractal or multifractal properties. We demonstrate that the spatial dielectric fluctuations in a sample of biological tissue exhibit multifractal anisotropy. Multifractal anisotropy encoded in the wavelength variation of the light scattering Mueller matrix and manifesting as an intriguing spectral diattenuation effect. We developed an inverse method for the quantitative assessment of the multifractal anisotropy. The method is based on the processing of relevant Mueller matrix elements in Fourier domain by using Born approximation, followed by the multifractal analysis. The approach promises for probing subtle micro-structural changes in biological tissues associated with the cancer and precancer, as well as for non-destructive characterization of a wide range of scattering materials.

Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j').

PubMed

Weeks, David E; Niday, Thomas A; Yang, Sang H

2006-10-28

Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j') are calculated using the time dependent channel packet method (CPM). The calculation employs 1 2A', 2 2A', and 1 2A" adiabatic electronic potential energy surfaces determined by numerical computation at the multireference configuration-interaction level [M. H. Alexander, J. Chem. Phys. 99, 6041 (1993)]. The 1 2A' and 2 2A', adiabatic electronic potential energy surfaces are transformed to yield diabatic electronic potential energy surfaces that, when combined with the total B+H2 rotational kinetic energy, yield a set of effective potential energy surfaces [M. H. Alexander et al., J. Chem. Phys. 103, 7956 (1995)]. Within the framework of the CPM, the number of effective potential energy surfaces used for the scattering matrix calculation is then determined by the size of the angular momentum basis used as a representation. Twenty basis vectors are employed for these calculations, and the corresponding effective potential energy surfaces are identified in the asymptotic limit by the H2 rotor quantum numbers j=0, 2, 4, 6 and B electronic states 2Pja, ja=1/2, 3/2. Scattering matrix elements are obtained from the Fourier transform of the correlation function between channel packets evolving in time on these effective potential energy surfaces. For these calculations the H2 bond length is constrained to a constant value of req=1.402 a.u. and state to state scattering matrix elements corresponding to a total angular momentum of J=1/2 are discussed for j=0<-->j'=0,2,4 and 2P1/2<-->2P1/2, 2P3/2 over a range of total energy between 0.0 and 0.01 a.u.

Faults and foibles of quantitative scanning electron microscopy/energy dispersive x-ray spectrometry (SEM/EDS)

NASA Astrophysics Data System (ADS)

Newbury, Dale E.; Ritchie, Nicholas W. M.

2012-06-01

Scanning electron microscopy with energy dispersive x-ray spectrometry (SEM/EDS) is a powerful and flexible elemental analysis method that can identify and quantify elements with atomic numbers > 4 (Be) present as major constituents (where the concentration C > 0.1 mass fraction, or 10 weight percent), minor (0.01<= C <= 0.1) and trace (C < 0.01, with a minimum detectable limit of ~+/- 0.0005 - 0.001 under routine measurement conditions, a level which is analyte and matrix dependent ). SEM/EDS can select specimen volumes with linear dimensions from ~ 500 nm to 5 μm depending on composition (masses ranging from ~ 10 pg to 100 pg) and can provide compositional maps that depict lateral elemental distributions. Despite the maturity of SEM/EDS, which has a history of more than 40 years, and the sophistication of modern analytical software, the method is vulnerable to serious shortcomings that can lead to incorrect elemental identifications and quantification errors that significantly exceed reasonable expectations. This paper will describe shortcomings in peak identification procedures, limitations on the accuracy of quantitative analysis due to specimen topography or failures in physical models for matrix corrections, and quantitative artifacts encountered in xray elemental mapping. Effective solutions to these problems are based on understanding the causes and then establishing appropriate measurement science protocols. NIST DTSA II and Lispix are open source analytical software available free at www.nist.gov that can aid the analyst in overcoming significant limitations to SEM/EDS.

PAFAC- PLASTIC AND FAILURE ANALYSIS OF COMPOSITES

NASA Technical Reports Server (NTRS)

Bigelow, C. A.

1994-01-01

The increasing number of applications of fiber-reinforced composites in industry demands a detailed understanding of their material properties and behavior. A three-dimensional finite-element computer program called PAFAC (Plastic and Failure Analysis of Composites) has been developed for the elastic-plastic analysis of fiber-reinforced composite materials and structures. The evaluation of stresses and deformations at edges, cut-outs, and joints is essential in understanding the strength and failure for metal-matrix composites since the onset of plastic yielding starts very early in the loading process as compared to the composite's ultimate strength. Such comprehensive analysis can only be achieved by a finite-element program like PAFAC. PAFAC is particularly suited for the analysis of laminated metal-matrix composites. It can model the elastic-plastic behavior of the matrix phase while the fibers remain elastic. Since the PAFAC program uses a three-dimensional element, the program can also model the individual layers of the laminate to account for thickness effects. In PAFAC, the composite is modeled as a continuum reinforced by cylindrical fibers of vanishingly small diameter which occupy a finite volume fraction of the composite. In this way, the essential axial constraint of the phases is retained. Furthermore, the local stress and strain fields are uniform. The PAFAC finite-element solution is obtained using the displacement method. Solution of the nonlinear equilibrium equations is obtained with a Newton-Raphson iteration technique. The elastic-plastic behavior of composites consisting of aligned, continuous elastic filaments and an elastic-plastic matrix is described in terms of the constituent properties, their volume fractions, and mutual constraints between phases indicated by the geometry of the microstructure. The program uses an iterative procedure to determine the overall response of the laminate, then from the overall response determines the stress state in each phase of the composite material. Failure of the fibers or matrix within an element can also be modeled by PAFAC. PAFAC is written in FORTRAN IV for batch execution and has been implemented on a CDC CYBER 170 series computer with a segmented memory requirement of approximately 66K (octal) of 60 bit words. PAFAC was developed in 1982.

Non-collinear magnetism with analytic Bond-Order Potentials

NASA Astrophysics Data System (ADS)

Ford, Michael E.; Pettifor, D. G.; Drautz, Ralf

2015-03-01

The theory of analytic Bond-Order Potentials as applied to non-collinear magnetic structures of transition metals is extended to take into account explicit rotations of Hamiltonian and local moment matrix elements between locally and globally defined spin-coordinate systems. Expressions for the gradients of the energy with respect to the Hamiltonian matrix elements, the interatomic forces and the magnetic torques are derived. The method is applied to simulations of the rotation of magnetic moments in α iron, as well as α and β manganese, based on d-valent orthogonal tight-binding parametrizations of the electronic structure. A new weighted-average terminator is introduced to improve the convergence of the Bond-Order Potential energies and torques with respect to tight-binding reference values, although the general behavior is qualitatively correct for low-moment expansions.

[The matrix effects of organic acid compounds in ICP-MS].

PubMed

Nie, Xi-Du; He, Xiao-Mei; Li, Li-Bo; Xie, Hua-Lin

2007-07-01

The matrix effects arising from oxalic acid, lactic acid, tartaric acid and citric acid in inductively coupled plasma mass spectrometry (ICP-MS) were investigated. It has been proved that the sensitivity of analytes can be significantly enhanced by adding small amounts of organic acid compounds with adjusted nebulizer gas flow-rate, especially for the elements with ionization potential between 9 and 11 eV. The tartaric acid has higher enhancement effect on the signal intensity of the hard-to-ionize elements than oxalic acid, lactic acid and citric acid. The mechanism of the enhancement was investigated. The method has been used to determine Be, Zn, As, Se, Sb and Hg in water standard reference materials (SRM). The analytical results are very close to the certified values.

Trace Elemental Imaging of Rare Earth Elements Discriminates Tissues at Microscale in Flat Fossils

PubMed Central

Gueriau, Pierre; Mocuta, Cristian; Dutheil, Didier B.; Cohen, Serge X.; Thiaudière, Dominique; Charbonnier, Sylvain; Clément, Gaël; Bertrand, Loïc

2014-01-01

The interpretation of flattened fossils remains a major challenge due to compression of their complex anatomies during fossilization, making critical anatomical features invisible or hardly discernible. Key features are often hidden under greatly preserved decay prone tissues, or an unpreparable sedimentary matrix. A method offering access to such anatomical features is of paramount interest to resolve taxonomic affinities and to study fossils after a least possible invasive preparation. Unfortunately, the widely-used X-ray micro-computed tomography, for visualizing hidden or internal structures of a broad range of fossils, is generally inapplicable to flattened specimens, due to the very high differential absorbance in distinct directions. Here we show that synchrotron X-ray fluorescence spectral raster-scanning coupled to spectral decomposition or a much faster Kullback-Leibler divergence based statistical analysis provides microscale visualization of tissues. We imaged exceptionally well-preserved fossils from the Late Cretaceous without needing any prior delicate preparation. The contrasting elemental distributions greatly improved the discrimination of skeletal elements material from both the sedimentary matrix and fossilized soft tissues. Aside content in alkaline earth elements and phosphorus, a critical parameter for tissue discrimination is the distinct amounts of rare earth elements. Local quantification of rare earths may open new avenues for fossil description but also in paleoenvironmental and taphonomical studies. PMID:24489809

Trace elemental imaging of rare earth elements discriminates tissues at microscale in flat fossils.

PubMed

Gueriau, Pierre; Mocuta, Cristian; Dutheil, Didier B; Cohen, Serge X; Thiaudière, Dominique; Charbonnier, Sylvain; Clément, Gaël; Bertrand, Loïc

2014-01-01

The interpretation of flattened fossils remains a major challenge due to compression of their complex anatomies during fossilization, making critical anatomical features invisible or hardly discernible. Key features are often hidden under greatly preserved decay prone tissues, or an unpreparable sedimentary matrix. A method offering access to such anatomical features is of paramount interest to resolve taxonomic affinities and to study fossils after a least possible invasive preparation. Unfortunately, the widely-used X-ray micro-computed tomography, for visualizing hidden or internal structures of a broad range of fossils, is generally inapplicable to flattened specimens, due to the very high differential absorbance in distinct directions. Here we show that synchrotron X-ray fluorescence spectral raster-scanning coupled to spectral decomposition or a much faster Kullback-Leibler divergence based statistical analysis provides microscale visualization of tissues. We imaged exceptionally well-preserved fossils from the Late Cretaceous without needing any prior delicate preparation. The contrasting elemental distributions greatly improved the discrimination of skeletal elements material from both the sedimentary matrix and fossilized soft tissues. Aside content in alkaline earth elements and phosphorus, a critical parameter for tissue discrimination is the distinct amounts of rare earth elements. Local quantification of rare earths may open new avenues for fossil description but also in paleoenvironmental and taphonomical studies.

Characterization of NIST food-matrix Standard Reference Materials for their vitamin C content.

PubMed

Thomas, Jeanice B; Yen, James H; Sharpless, Katherine E

2013-05-01

The vitamin C concentrations in three food-matrix Standard Reference Materials (SRMs) from the National Institute of Standards and Technology (NIST) have been determined by liquid chromatography (LC) with absorbance detection. These materials (SRM 1549a Whole Milk Powder, SRM 1849a Infant/Adult Nutritional Formula, and SRM 3233 Fortified Breakfast Cereal) have been characterized to support analytical measurements made by food processors that are required to provide information about their products' vitamin C content on the labels of products distributed in the United States. The SRMs are primarily intended for use in validating analytical methods for the determination of selected vitamins, elements, fatty acids, and other nutrients in these materials and in similar matrixes. They can also be used for quality assurance in the characterization of test samples or in-house control materials, and for establishing measurement traceability. Within-day precision of the LC method used to measure vitamin C in the food-matrix SRMs characterized in this study ranged from 2.7% to 6.5%.

MERCURY MEASUREMENTS FOR SOLIDS MADE RAPIDLY, SIMPLY, AND INEXPENSIVELY

EPA Science Inventory

While traditional methods for determining mercury in solid samples involve the use of aggressive chemicals to dissolve the matrix and the use of other chemicals to properly reduce the mercury to the volatile elemental form, pyrolysis-based analyzers can be used by directly weighi...

Density-functional expansion methods: evaluation of LDA, GGA, and meta-GGA functionals and different integral approximations.

PubMed

Giese, Timothy J; York, Darrin M

2010-12-28

We extend the Kohn-Sham potential energy expansion (VE) to include variations of the kinetic energy density and use the VE formulation with a 6-31G* basis to perform a "Jacob's ladder" comparison of small molecule properties using density functionals classified as being either LDA, GGA, or meta-GGA. We show that the VE reproduces standard Kohn-Sham DFT results well if all integrals are performed without further approximation, and there is no substantial improvement in using meta-GGA functionals relative to GGA functionals. The advantages of using GGA versus LDA functionals becomes apparent when modeling hydrogen bonds. We furthermore examine the effect of using integral approximations to compute the zeroth-order energy and first-order matrix elements, and the results suggest that the origin of the short-range repulsive potential within self-consistent charge density-functional tight-binding methods mainly arises from the approximations made to the first-order matrix elements.

Model-size reduction for the buckling and vibration analyses of anisotropic panels

NASA Technical Reports Server (NTRS)

Noor, A. K.; Whitworth, S. L.

1986-01-01

A computational procedure is presented for reducing the size of the model used in the buckling and vibration analyses of symmetric anisotropic panels to that of the corresponding orthotropic model. The key elements of the procedure are the application of an operator splitting technique through the decomposition of the material stiffness matrix of the panel into the sum of orthotropic and nonorthotropic (anisotropic) parts and the use of a reduction method through successive application of the finite element method and the classical Rayleigh-Ritz technique. The effectiveness of the procedure is demonstrated by numerical examples.

Pull-out fibers from composite materials at high rate of loading

NASA Technical Reports Server (NTRS)

Amijima, S.; Fujii, T.

1981-01-01

Numerical and experimental results are presented on the pullout phenomenon in composite materials at a high rate of loading. The finite element method was used, taking into account the existence of a virtual shear deformation layer as the interface between fiber and matrix. Experimental results agree well with those obtained by the finite element method. Numerical results show that the interlaminar shear stress is time dependent, in addition, it is shown to depend on the applied load time history. Under step pulse loading, the interlaminar shear stress fluctuates, finally decaying to its value under static loading.

A Large-scale Finite Element Model on Micromechanical Damage and Failure of Carbon Fiber/Epoxy Composites Including Thermal Residual Stress

NASA Astrophysics Data System (ADS)

Liu, P. F.; Li, X. K.

2018-06-01

The purpose of this paper is to study micromechanical progressive failure properties of carbon fiber/epoxy composites with thermal residual stress by finite element analysis (FEA). Composite microstructures with hexagonal fiber distribution are used for the representative volume element (RVE), where an initial fiber breakage is assumed. Fiber breakage with random fiber strength is predicted using Monte Carlo simulation, progressive matrix damage is predicted by proposing a continuum damage mechanics model and interface failure is simulated using Xu and Needleman's cohesive model. Temperature dependent thermal expansion coefficients for epoxy matrix are used. FEA by developing numerical codes using ANSYS finite element software is divided into two steps: 1. Thermal residual stresses due to mismatch between fiber and matrix are calculated; 2. Longitudinal tensile load is further exerted on the RVE to perform progressive failure analysis of carbon fiber/epoxy composites. Numerical convergence is solved by introducing the viscous damping effect properly. The extended Mori-Tanaka method that considers interface debonding is used to get homogenized mechanical responses of composites. Three main results by FEA are obtained: 1. the real-time matrix cracking, fiber breakage and interface debonding with increasing tensile strain is simulated. 2. the stress concentration coefficients on neighbouring fibers near the initial broken fiber and the axial fiber stress distribution along the broken fiber are predicted, compared with the results using the global and local load-sharing models based on the shear-lag theory. 3. the tensile strength of composite by FEA is compared with those by the shear-lag theory and experiments. Finally, the tensile stress-strain curve of composites by FEA is applied to the progressive failure analysis of composite pressure vessel.

A Large-scale Finite Element Model on Micromechanical Damage and Failure of Carbon Fiber/Epoxy Composites Including Thermal Residual Stress

NASA Astrophysics Data System (ADS)

Liu, P. F.; Li, X. K.

2017-09-01

The purpose of this paper is to study micromechanical progressive failure properties of carbon fiber/epoxy composites with thermal residual stress by finite element analysis (FEA). Composite microstructures with hexagonal fiber distribution are used for the representative volume element (RVE), where an initial fiber breakage is assumed. Fiber breakage with random fiber strength is predicted using Monte Carlo simulation, progressive matrix damage is predicted by proposing a continuum damage mechanics model and interface failure is simulated using Xu and Needleman's cohesive model. Temperature dependent thermal expansion coefficients for epoxy matrix are used. FEA by developing numerical codes using ANSYS finite element software is divided into two steps: 1. Thermal residual stresses due to mismatch between fiber and matrix are calculated; 2. Longitudinal tensile load is further exerted on the RVE to perform progressive failure analysis of carbon fiber/epoxy composites. Numerical convergence is solved by introducing the viscous damping effect properly. The extended Mori-Tanaka method that considers interface debonding is used to get homogenized mechanical responses of composites. Three main results by FEA are obtained: 1. the real-time matrix cracking, fiber breakage and interface debonding with increasing tensile strain is simulated. 2. the stress concentration coefficients on neighbouring fibers near the initial broken fiber and the axial fiber stress distribution along the broken fiber are predicted, compared with the results using the global and local load-sharing models based on the shear-lag theory. 3. the tensile strength of composite by FEA is compared with those by the shear-lag theory and experiments. Finally, the tensile stress-strain curve of composites by FEA is applied to the progressive failure analysis of composite pressure vessel.

The Elastic Behaviour of Sintered Metallic Fibre Networks: A Finite Element Study by Beam Theory

PubMed Central

Bosbach, Wolfram A.

2015-01-01

Background The finite element method has complimented research in the field of network mechanics in the past years in numerous studies about various materials. Numerical predictions and the planning efficiency of experimental procedures are two of the motivational aspects for these numerical studies. The widespread availability of high performance computing facilities has been the enabler for the simulation of sufficiently large systems. Objectives and Motivation In the present study, finite element models were built for sintered, metallic fibre networks and validated by previously published experimental stiffness measurements. The validated models were the basis for predictions about so far unknown properties. Materials and Methods The finite element models were built by transferring previously published skeletons of fibre networks into finite element models. Beam theory was applied as simplification method. Results and Conclusions The obtained material stiffness isn’t a constant but rather a function of variables such as sample size and boundary conditions. Beam theory offers an efficient finite element method for the simulated fibre networks. The experimental results can be approximated by the simulated systems. Two worthwhile aspects for future work will be the influence of size and shape and the mechanical interaction with matrix materials. PMID:26569603

Simulation of sparse matrix array designs

NASA Astrophysics Data System (ADS)

Boehm, Rainer; Heckel, Thomas

2018-04-01

Matrix phased array probes are becoming more prominently used in industrial applications. The main drawbacks, using probes incorporating a very large number of transducer elements, are needed for an appropriate cabling and an ultrasonic device offering many parallel channels. Matrix arrays designed for extended functionality feature at least 64 or more elements. Typical arrangements are square matrices, e.g., 8 by 8 or 11 by 11 or rectangular matrixes, e.g., 8 by 16 or 10 by 12 to fit a 128-channel phased array system. In some phased array systems, the number of simultaneous active elements is limited to a certain number, e.g., 32 or 64. Those setups do not allow running the probe with all elements active, which may cause a significant change in the directivity pattern of the resulting sound beam. When only a subset of elements can be used during a single acquisition, different strategies may be applied to collect enough data for rebuilding the missing information from the echo signal. Omission of certain elements may be one approach, overlay of subsequent shots with different active areas may be another one. This paper presents the influence of a decreased number of active elements on the sound field and their distribution on the array. Solutions using subsets with different element activity patterns on matrix arrays and their advantages and disadvantages concerning the sound field are evaluated using semi-analytical simulation tools. Sound field criteria are discussed, which are significant for non-destructive testing results and for the system setup.

Semistochastic approach to many electron systems

NASA Astrophysics Data System (ADS)

Grossjean, M. K.; Grossjean, M. F.; Schulten, K.; Tavan, P.

1992-08-01

A Pariser-Parr-Pople (PPP) Hamiltonian of an 8π electron system of the molecule octatetraene, represented in a configuration-interaction basis (CI basis), is analyzed with respect to the statistical properties of its matrix elements. Based on this analysis we develop an effective Hamiltonian, which represents virtual excitations by a Gaussian orthogonal ensemble (GOE). We also examine numerical approaches which replace the original Hamiltonian by a semistochastically generated CI matrix. In that CI matrix, the matrix elements of high energy excitations are choosen randomly according to distributions reflecting the statistics of the original CI matrix.

SevenOperators, a Mathematica script for harmonic oscillator nuclear matrix elements arising in semileptonic electroweak interactions

NASA Astrophysics Data System (ADS)

Haxton, Wick; Lunardini, Cecilia

2008-09-01

Semi-leptonic electroweak interactions in nuclei—such as β decay, μ capture, charged- and neutral-current neutrino reactions, and electron scattering—are described by a set of multipole operators carrying definite parity and angular momentum, obtained by projection from the underlying nuclear charge and three-current operators. If these nuclear operators are approximated by their one-body forms and expanded in the nucleon velocity through order |p→|/M, where p→ and M are the nucleon momentum and mass, a set of seven multipole operators is obtained. Nuclear structure calculations are often performed in a basis of Slater determinants formed from harmonic oscillator orbitals, a choice that allows translational invariance to be preserved. Harmonic-oscillator single-particle matrix elements of the multipole operators can be evaluated analytically and expressed in terms of finite polynomials in q, where q is the magnitude of the three-momentum transfer. While results for such matrix elements are available in tabular form, with certain restriction on quantum numbers, the task of determining the analytic form of a response function can still be quite tedious, requiring the folding of the tabulated matrix elements with the nuclear density matrix, and subsequent algebra to evaluate products of operators. Here we provide a Mathematica script for generating these matrix elements, which will allow users to carry out all such calculations by symbolic manipulation. This will eliminate the errors that may accompany hand calculations and speed the calculation of electroweak nuclear cross sections and rates. We illustrate the use of the new script by calculating the cross sections for charged- and neutral-current neutrino scattering in 12C. Program summaryProgram title: SevenOperators Catalogue identifier: AEAY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAY_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2227 No. of bytes in distributed program, including test data, etc.: 19 382 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer running Mathematica; tested on Mac OS X PowerPC (32-bit) running Mathematica 6.0.0 Operating system: Any running Mathematica RAM: Memory requirements determined by Mathematica; 512 MB or greater RAM and hard drive space of at least 3.0 GB recommended Classification: 17.16, 17.19 Nature of problem: Algebraic evaluation of harmonic oscillator nuclear matrix elements for the one-body multipole operators governing semi-leptonic weak interactions, such as charged- or neutral-current neutrino scattering off nuclei. Solution method: Mathematica evaluation of associated angular momentum algebra and spherical Bessel function radial integrals. Running time: Depends on the complexity of the one-body density matrix employed, but times of a few seconds are typical.

Modeling of Melt-Infiltrated SiC/SiC Composite Properties

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Bednarcyk, Brett A.; Arnold, Steven M.; Lang, Jerry

2009-01-01

The elastic properties of a two-dimensional five-harness melt-infiltrated silicon carbide fiber reinforced silicon carbide matrix (MI SiC/SiC) ceramic matrix composite (CMC) were predicted using several methods. Methods used in this analysis are multiscale laminate analysis, micromechanics-based woven composite analysis, a hybrid woven composite analysis, and two- and three-dimensional finite element analyses. The elastic properties predicted are in good agreement with each other as well as with the available measured data. However, the various methods differ from each other in three key areas: (1) the fidelity provided, (2) the efforts required for input data preparation, and (3) the computational resources required. Results also indicate that efficient methods are also able to provide a reasonable estimate of local stress fields.

POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Gerdt, V. P.; Rostovtsev, V. A.; Vinitsky, S. I.; Abrashkevich, A. G.; Kaschiev, M. S.; Serov, V. V.

2008-02-01

A FORTRAN 77 program is presented which calculates with the relative machine precision potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field. The potential curves are eigenvalues corresponding to the angular oblate spheroidal functions that compose adiabatic basis which depends on the radial variable as a parameter. The matrix elements of radial coupling are integrals in angular variables of the following two types: product of angular functions and the first derivative of angular functions in parameter, and product of the first derivatives of angular functions in parameter, respectively. The program calculates also the angular part of the dipole transition matrix elements (in the length form) expressed as integrals in angular variables involving product of a dipole operator and angular functions. Moreover, the program calculates asymptotic regular and irregular matrix solutions of the coupled adiabatic radial equations at the end of interval in radial variable needed for solving a multi-channel scattering problem by the generalized R-matrix method. Potential curves and radial matrix elements computed by the POTHMF program can be used for solving the bound state and multi-channel scattering problems. As a test desk, the program is applied to the calculation of the energy values, a short-range reaction matrix and corresponding wave functions with the help of the KANTBP program. Benchmark calculations for the known photoionization cross-sections are presented. Program summaryProgram title:POTHMF Catalogue identifier:AEAA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAA_v1_0.html Program obtainable from:CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.:8123 No. of bytes in distributed program, including test data, etc.:131 396 Distribution format:tar.gz Programming language:FORTRAN 77 Computer:Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system:OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM:Depends on the number of radial differential equations; the number and order of finite elements; the number of radial points. Test run requires 4 MB Classification:2.5 External routines:POTHMF uses some Lapack routines, copies of which are included in the distribution (see README file for details). Nature of problem:In the multi-channel adiabatic approach the Schrödinger equation for a hydrogen-like atom in a homogeneous magnetic field of strength γ ( γ=B/B, B≅2.35×10 T is a dimensionless parameter which determines the field strength B) is reduced by separating the radial coordinate, r, from the angular variables, (θ,φ), and using a basis of the angular oblate spheroidal functions [3] to a system of second-order ordinary differential equations which contain first-derivative coupling terms [4]. The purpose of this program is to calculate potential curves and matrix elements of radial coupling needed for calculating the low-lying bound and scattering states of hydrogen-like atoms in a homogeneous magnetic field of strength 0<γ⩽1000 within the adiabatic approach [5]. The program evaluates also asymptotic regular and irregular matrix radial solutions of the multi-channel scattering problem needed to extract from the R-matrix a required symmetric shortrange open-channel reaction matrix K [6] independent from matching point [7]. In addition, the program computes the dipole transition matrix elements in the length form between the basis functions that are needed for calculating the dipole transitions between the low-lying bound and scattering states and photoionization cross sections [8]. Solution method:The angular oblate spheroidal eigenvalue problem depending on the radial variable is solved using a series expansion in the Legendre polynomials [3]. The resulting tridiagonal symmetric algebraic eigenvalue problem for the evaluation of selected eigenvalues, i.e. the potential curves, is solved by the LDLT factorization using the DSTEVR program [2]. Derivatives of the eigenfunctions with respect to the radial variable which are contained in matrix elements of the coupled radial equations are obtained by solving the inhomogeneous algebraic equations. The corresponding algebraic problem is solved by using the LDLT factorization with the help of the DPTTRS program [2]. Asymptotics of the matrix elements at large values of radial variable are computed using a series expansion in the associated Laguerre polynomials [9]. The corresponding matching points between the numeric and asymptotic solutions are found automatically. These asymptotics are used for the evaluation of the asymptotic regular and irregular matrix radial solutions of the multi-channel scattering problem [7]. As a test desk, the program is applied to the calculation of the energy values of the ground and excited bound states and reaction matrix of multi-channel scattering problem for a hydrogen atom in a homogeneous magnetic field using the KANTBP program [10]. Restrictions:The computer memory requirements depend on: the number of radial differential equations; the number and order of finite elements; the total number of radial points. Restrictions due to dimension sizes can be changed by resetting a small number of PARAMETER statements before recompiling (see Introduction and listing for details). Running time:The running time depends critically upon: the number of radial differential equations; the number and order of finite elements; the total number of radial points on interval [r,r]. The test run which accompanies this paper took 7 s required for calculating of potential curves, radial matrix elements, and dipole transition matrix elements on a finite-element grid on interval [ r=0, r=100] used for solving discrete and continuous spectrum problems and obtaining asymptotic regular and irregular matrix radial solutions at r=100 for continuous spectrum problem on the Intel Pentium IV 2.4 GHz. The number of radial differential equations was equal to 6. The accompanying test run using the KANTBP program took 2 s for solving discrete and continuous spectrum problems using the above calculated potential curves, matrix elements and asymptotic regular and irregular matrix radial solutions. Note, that in the accompanied benchmark calculations of the photoionization cross-sections from the bound states of a hydrogen atom in a homogeneous magnetic field to continuum we have used interval [ r=0, r=1000] for continuous spectrum problem. The total number of radial differential equations was varied from 10 to 18. References:W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986. http://www.netlib.org/lapack/. M. Abramovits, I.A. Stegun, Handbook of Mathematical Functions, Dover, New York, 1965. U. Fano, Colloq. Int. C.N.R.S. 273 (1977) 127; A.F. Starace, G.L. Webster, Phys. Rev. A 19 (1979) 1629-1640; C.V. Clark, K.T. Lu, A.F. Starace, in: H.G. Beyer, H. Kleinpoppen (Eds.), Progress in Atomic Spectroscopy, Part C, Plenum, New York, 1984, pp. 247-320; U. Fano, A.R.P. Rau, Atomic Collisions and Spectra, Academic Press, Florida, 1986. M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352; O. Chuluunbaatar, A.A. Gusev, V.L. Derbov, M.S. Kaschiev, V.V. Serov, T.V. Tupikova, S.I. Vinitsky, Proc. SPIE 6537 (2007) 653706-1-18. M.J. Seaton, Rep. Prog. Phys. 46 (1983) 167-257. M. Gailitis, J. Phys. B 9 (1976) 843-854; J. Macek, Phys. Rev. A 30 (1984) 1277-1278; S.I. Vinitsky, V.P. Gerdt, A.A. Gusev, M.S. Kaschiev, V.A. Rostovtsev, V.N. Samoylov, T.V. Tupikova, O. Chuluunbaatar, Programming and Computer Software 33 (2007) 105-116. H. Friedrich, Theoretical Atomic Physics, Springer, New York, 1991. R.J. Damburg, R.Kh. Propin, J. Phys. B 1 (1968) 681-691; J.D. Power, Phil. Trans. Roy. Soc. London A 274 (1973) 663-702. O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Comm. 177 (2007) 649-675.

The Shock and Vibration Digest. Volume 16, Number 1

DTIC Science & Technology

1984-01-01

investigation of the measure- ment of frequency band average loss factors of structural components for use in the statistical energy analysis method of...stiffness. Matrix methods Key Words: Finite element technique. Statistical energy analysis . Experimental techniques. Framed structures, Com- puter...programs In order to further understand the practical application of the statistical energy analysis , a two section plate-like frame structure is

The nuclear matrix prepared by amine modification

PubMed Central

Wan, Katherine M.; Nickerson, Jeffrey A.; Krockmalnic, Gabriela; Penman, Sheldon

1999-01-01

The nucleus is spatially ordered by attachments to a nonchromatin nuclear structure, the nuclear matrix. The nuclear matrix and chromatin are intimately connected and integrated structures, and so a major technical challenge in nuclear matrix research has been to remove chromatin while retaining a native nuclear matrix. Most methods for removing chromatin require first a nuclease digestion and then a salt extraction to remove cut chromatin. We have hypothesized that cut chromatin is held in place by charge interactions involving nucleosomal amino groups. We have tested this hypothesis by chemically modifying amino groups after nuclease digestion. By using this protocol, chromatin could be effectively removed at physiological ionic strength. We compared the ultrastructure and composition of this nuclear matrix preparation with the traditional high-salt nuclear matrix and with the third nuclear matrix preparation that we have developed from which chromatin is removed after extensive crosslinking. All three matrix preparations reveal internal nuclear matrix structures that are built on a network of branched filaments of about 10 nm diameter. That such different chromatin-removal protocols reveal similar principles of nuclear matrix construction increases our confidence that we are observing important architectural elements of the native structure in the living cell. PMID:9927671

Calculation of electronic coupling matrix elements for ground and excited state electron transfer reactions: Comparison of the generalized Mulliken-Hush and block diagonalization methods

NASA Astrophysics Data System (ADS)

Cave, Robert J.; Newton, Marshall D.

1997-06-01

Two independent methods are presented for the nonperturbative calculation of the electronic coupling matrix element (Hab) for electron transfer reactions using ab initio electronic structure theory. The first is based on the generalized Mulliken-Hush (GMH) model, a multistate generalization of the Mulliken Hush formalism for the electronic coupling. The second is based on the block diagonalization (BD) approach of Cederbaum, Domcke, and co-workers. Detailed quantitative comparisons of the two methods are carried out based on results for (a) several states of the system Zn2OH2+ and (b) the low-lying states of the benzene-Cl atom complex and its contact ion pair. Generally good agreement between the two methods is obtained over a range of geometries. Either method can be applied at an arbitrary nuclear geometry and, as a result, may be used to test the validity of the Condon approximation. Examples of nonmonotonic behavior of the electronic coupling as a function of nuclear coordinates are observed for Zn2OH2+. Both methods also yield a natural definition of the effective distance (rDA) between donor (D) and acceptor (A) sites, in contrast to earlier approaches which required independent estimates of rDA, generally based on molecular structure data.

Predicting protein contact map using evolutionary and physical constraints by integer programming.

PubMed

Wang, Zhiyong; Xu, Jinbo

2013-07-01

Protein contact map describes the pairwise spatial and functional relationship of residues in a protein and contains key information for protein 3D structure prediction. Although studied extensively, it remains challenging to predict contact map using only sequence information. Most existing methods predict the contact map matrix element-by-element, ignoring correlation among contacts and physical feasibility of the whole-contact map. A couple of recent methods predict contact map by using mutual information, taking into consideration contact correlation and enforcing a sparsity restraint, but these methods demand for a very large number of sequence homologs for the protein under consideration and the resultant contact map may be still physically infeasible. This article presents a novel method PhyCMAP for contact map prediction, integrating both evolutionary and physical restraints by machine learning and integer linear programming. The evolutionary restraints are much more informative than mutual information, and the physical restraints specify more concrete relationship among contacts than the sparsity restraint. As such, our method greatly reduces the solution space of the contact map matrix and, thus, significantly improves prediction accuracy. Experimental results confirm that PhyCMAP outperforms currently popular methods no matter how many sequence homologs are available for the protein under consideration. http://raptorx.uchicago.edu.

Solution of the neutronics code dynamic benchmark by finite element method

NASA Astrophysics Data System (ADS)

Avvakumov, A. V.; Vabishchevich, P. N.; Vasilev, A. O.; Strizhov, V. F.

2016-10-01

The objective is to analyze the dynamic benchmark developed by Atomic Energy Research for the verification of best-estimate neutronics codes. The benchmark scenario includes asymmetrical ejection of a control rod in a water-type hexagonal reactor at hot zero power. A simple Doppler feedback mechanism assuming adiabatic fuel temperature heating is proposed. The finite element method on triangular calculation grids is used to solve the three-dimensional neutron kinetics problem. The software has been developed using the engineering and scientific calculation library FEniCS. The matrix spectral problem is solved using the scalable and flexible toolkit SLEPc. The solution accuracy of the dynamic benchmark is analyzed by condensing calculation grid and varying degree of finite elements.

Reduction of matrix effects in inductively coupled plasma mass spectrometry by flow injection with an unshielded torch.

PubMed

Gross, Cory T; McIntyre, Sally M; Houk, R S

2009-06-15

Solution samples with matrix concentrations above approximately 0.1% generally present difficulties for analysis by inductively coupled plasma mass spectrometry (ICP-MS) because of cone clogging and matrix effects. Flow injection (FI) is coupled to ICP-MS to reduce deposition from samples such as 1% sodium salts (as NaCl) and seawater (approximately 3% dissolved salts). Surprisingly, matrix effects are also less severe during flow injection, at least for some matrix elements on the particular instrument used. Sodium chloride at 1% Na and undiluted seawater cause only 2 to 29% losses of signal for typical analyte elements. A heavy matrix element (Bi) at 0.1% also induces only approximately 14% loss of analyte signal. However, barium causes a much worse matrix effect, that is, approximately 90% signal loss at 5000 ppm Na. Also, matrix effects during FI are much more severe when a grounded metal shield is inserted between the load coil and the torch, which is the most common mode of operation for the particular ICP-MS device used.

Differential 3D Mueller-matrix mapping of optically anisotropic depolarizing biological layers

NASA Astrophysics Data System (ADS)

Ushenko, O. G.; Grytsyuk, M.; Ushenko, V. O.; Bodnar, G. B.; Vanchulyak, O.; Meglinskiy, I.

2018-01-01

The paper consists of two parts. The first part is devoted to the short theoretical basics of the method of differential Mueller-matrix description of properties of partially depolarizing layers. It was provided the experimentally measured maps of differential matrix of the 2nd order of polycrystalline structure of the histological section of rectum wall tissue. It was defined the values of statistical moments of the1st-4th orders, which characterize the distribution of matrix elements. In the second part of the paper it was provided the data of statistic analysis of birefringence and dichroism of the histological sections of connecting component of vagina wall tissue (normal and with prolapse). It were defined the objective criteria of differential diagnostics of pathologies of vagina wall.

Energy Finite Element Analysis for Computing the High Frequency Vibration of the Aluminum Testbed Cylinder and Correlating the Results to Test Data

NASA Technical Reports Server (NTRS)

Vlahopoulos, Nickolas

2005-01-01

The Energy Finite Element Analysis (EFEA) is a finite element based computational method for high frequency vibration and acoustic analysis. The EFEA solves with finite elements governing differential equations for energy variables. These equations are developed from wave equations. Recently, an EFEA method for computing high frequency vibration of structures either in vacuum or in contact with a dense fluid has been presented. The presence of fluid loading has been considered through added mass and radiation damping. The EFEA developments were validated by comparing EFEA results to solutions obtained by very dense conventional finite element models and solutions from classical techniques such as statistical energy analysis (SEA) and the modal decomposition method for bodies of revolution. EFEA results have also been compared favorably with test data for the vibration and the radiated noise generated by a large scale submersible vehicle. The primary variable in EFEA is defined as the time averaged over a period and space averaged over a wavelength energy density. A joint matrix computed from the power transmission coefficients is utilized for coupling the energy density variables across any discontinuities, such as change of plate thickness, plate/stiffener junctions etc. When considering the high frequency vibration of a periodically stiffened plate or cylinder, the flexural wavelength is smaller than the interval length between two periodic stiffeners, therefore the stiffener stiffness can not be smeared by computing an equivalent rigidity for the plate or cylinder. The periodic stiffeners must be regarded as coupling components between periodic units. In this paper, Periodic Structure (PS) theory is utilized for computing the coupling joint matrix and for accounting for the periodicity characteristics.

Improving Precision, Maintaining Accuracy, and Reducing Acquisition Time for Trace Elements in EPMA

NASA Astrophysics Data System (ADS)

Donovan, J.; Singer, J.; Armstrong, J. T.

2016-12-01

Trace element precision in electron probe micro analysis (EPMA) is limited by intrinsic random variation in the x-ray continuum. Traditionally we characterize background intensity by measuring on either side of the emission line and interpolating the intensity underneath the peak to obtain the net intensity. Alternatively, we can measure the background intensity at the on-peak spectrometer position using a number of standard materials that do not contain the element of interest. This so-called mean atomic number (MAN) background calibration (Donovan, et al., 2016) uses a set of standard measurements, covering an appropriate range of average atomic number, to iteratively estimate the continuum intensity for the unknown composition (and hence average atomic number). We will demonstrate that, at least for materials with a relatively simple matrix such as SiO2, TiO2, ZrSiO4, etc. where one may obtain a matrix matched standard for use in the so called "blank correction", we can obtain trace element accuracy comparable to traditional off-peak methods, and with improved precision, in about half the time. Donovan, Singer and Armstrong, A New EPMA Method for Fast Trace Element Analysis in Simple Matrices ", American Mineralogist, v101, p1839-1853, 2016 Figure 1. Uranium concentration line profiles from quantitative x-ray maps (20 keV, 100 nA, 5 um beam size and 4000 msec per pixel), for both off-peak and MAN background methods without (a), and with (b), the blank correction applied. We see precision significantly improved compared with traditional off-peak measurements while, in this case, the blank correction provides a small but discernable improvement in accuracy.

A discrete fracture model for two-phase flow in fractured porous media

NASA Astrophysics Data System (ADS)

Gläser, Dennis; Helmig, Rainer; Flemisch, Bernd; Class, Holger

2017-12-01

A discrete fracture model on the basis of a cell-centered finite volume scheme with multi-point flux approximation (MPFA) is presented. The fractures are included in a d-dimensional computational domain as (d - 1)-dimensional entities living on the element facets, which requires the grid to have the element facets aligned with the fracture geometries. However, the approach overcomes the problem of small cells inside the fractures when compared to equi-dimensional models. The system of equations considered is solved on both the matrix and the fracture domain, where on the prior the fractures are treated as interior boundaries and on the latter the exchange term between fracture and matrix appears as an additional source/sink. This exchange term is represented by the matrix-fracture fluxes, computed as functions of the unknowns in both domains by applying adequate modifications to the MPFA scheme. The method is applicable to both low-permeable as well as highly conductive fractures. The quality of the results obtained by the discrete fracture model is studied by comparison to an equi-dimensional discretization on a simple geometry for both single- and two-phase flow. For the case of two-phase flow in a highly conductive fracture, good agreement in the solution and in the matrix-fracture transfer fluxes could be observed, while for a low-permeable fracture the discrepancies were more pronounced. The method is then applied two-phase flow through a realistic fracture network in two and three dimensions.

Rate-dependent behavior of the amorphous phase of spider dragline silk.

PubMed

Patil, Sandeep P; Markert, Bernd; Gräter, Frauke

2014-06-03

The time-dependent stress-strain behavior of spider dragline silk was already observed decades ago, and has been attributed to the disordered sequences in silk proteins, which compose the soft amorphous matrix. However, the actual molecular origin and magnitude of internal friction within the amorphous matrix has remained inaccessible, because experimentally decomposing the mechanical response of the amorphous matrix from the embedded crystalline units is challenging. Here, we used atomistic molecular dynamics simulations to obtain friction forces for the relative sliding of peptide chains of Araneus diadematus spider silk within bundles of these chains as a representative unit of the amorphous matrix in silk fibers. We computed the friction coefficient and coefficient of viscosity of the amorphous phase to be in the order of 10(-6) Ns/m and 10(4) Ns/m(2), respectively, by extrapolating our simulation data to the viscous limit. Finally, we used a finite element method for the amorphous phase, solely based on parameters derived from molecular dynamics simulations including the newly determined coefficient of viscosity. With this model the time scales of stress relaxation, creep, and hysteresis were assessed, and found to be in line with the macroscopic time-dependent response of silk fibers. Our results suggest the amorphous phase to be the primary source of viscosity in silk and open up the avenue for finite element method studies of silk fiber mechanics including viscous effects. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Mapping local orientation of aligned fibrous scatterers for cancerous tissues using backscattering Mueller matrix imaging

NASA Astrophysics Data System (ADS)

He, Honghui; Sun, Minghao; Zeng, Nan; Du, E.; Liu, Shaoxiong; Guo, Yihong; Wu, Jian; He, Yonghong; Ma, Hui

2014-10-01

Polarization measurements are sensitive to the microstructure of tissues and can be used to detect pathological changes. Many tissues contain anisotropic fibrous structures. We obtain the local orientation of aligned fibrous scatterers using different groups of the backscattering Mueller matrix elements. Experiments on concentrically well-aligned silk fibers and unstained human papillary thyroid carcinoma tissues show that the m22, m33, m23, and m32 elements have better contrast but higher degeneracy for the extraction of orientation angles. The m12 and m13 elements show lower contrast, but allow us to determine the orientation angle for the fibrous scatterers along all directions. Moreover, Monte Carlo simulations based on the sphere-cylinder scattering model indicate that the oblique incidence of the illumination beam introduces some errors in the orientation angles obtained by both methods. Mapping the local orientation of anisotropic tissues may not only provide information on pathological changes, but can also give new leads to reduce the orientation dependence of polarization measurements.

The Influence of Non-spectral Matrix Effects on the Accuracy of Isotope Ratio Measurement by MC-ICP-MS

NASA Astrophysics Data System (ADS)

Barling, J.; Shiel, A.; Weis, D.

2006-12-01

Non-spectral interferences in ICP-MS are caused by matrix elements effecting the ionisation and transmission of analyte elements. They are difficult to identify in MC-ICP-MS isotopic data because affected analyses exhibit normal mass dependent isotope fractionation. We have therefore investigated a wide range of matrix elements for both stable and radiogenic isotope systems using a Nu Plasma MC-ICP-MS. Matrix elements commonly enhance analyte sensitivity and change the instrumental mass bias experienced by analyte elements. These responses vary with element and therefore have important ramifications for the correction of data for instrumental mass bias by use of an external element (e.g. Pb and many non-traditional stable isotope systems). For Pb isotope measurements (Tl as mass bias element), Mg, Al, Ca, and Fe were investigated as matrix elements. All produced signal enhancement in Pb and Tl. Signal enhancement varied from session to session but for Ca and Al enhancement in Pb was less than for Tl while for Mg and Fe enhancement levels for Pb and Tl were similar. After correction for instrumental mass fractionation using Tl, Mg effected Pb isotope ratios were heavy (e.g. ^{208}Pb/204Pbmatrix > ^{208}Pb/204Pbtrue) for both moderate and high [Mg] while Ca effected Pb showed little change at moderate [Ca] but were light at high [Ca]. ^{208}Pb/204Pbmatrix - ^{208}Pb/204Pbtrue for all elements ranged from +0.0122 to - 0.0177. Isotopic shifts of similar magnitude are observed between Pb analyses of samples that have seen either one or two passes through chemistry (Nobre Silva et al, 2005). The double pass purified aliquots always show better reproducibility. These studies show that the presence of matrix can have a significant effect on the accuracy and reproducibility of replicate Pb isotope analyses. For non-traditional stable isotope systems (e.g. Mo(Zr), Cd(Ag)), the different responses of analyte and mass bias elements to the presence of matrix can result in del/amu for measured & mass bias corrected data that disagree outside of error. Either or both values can be incorrect. For samples, unlike experiments, the correct del/amu is not known in advance. Therefore, for sample analyses to be considered accurate, both measured and exponentially corrected del/amu should agree.

Rotordynamic Analysis with Shell Elements for the Transfer Matrix Method

DTIC Science & Technology

1989-08-01

consistent kindness and extraordinarily good direction in the completion of this work. I am very pleased to acknowledge my brothers in Christ. Vinai ...modelling used in the transfer ma- trix approach. Rouch et al., (1979), Nelson (1980), To (1981), Greenhill et al., (1985), and Gupta (1986) have all...Reliability in Design, Vol. 107, pp. 4 2 1-4 3 0 . Gupta , A.K., 1986, --Finite Element Analysis of Vibration of Tapered Beams," Shock and Vibration

ICP-MS as a novel detection system for quantitative element-tagged immunoassay of hidden peanut allergens in foods.

PubMed

Careri, Maria; Elviri, Lisa; Mangia, Alessandro; Mucchino, Claudio

2007-03-01

A novel ICP-MS-based ELISA immunoassay via element-tagged determination was devised for quantitative analysis of hidden allergens in food. The method was able to detect low amounts of peanuts (down to approximately 2 mg peanuts kg(-1) cereal-based matrix) by using a europium-tagged antibody. Selectivity was proved by the lack of detectable cross-reaction with a number of protein-rich raw materials.

[Study on the determination of 28 inorganic elements in sunflower seeds by ICP-OES/ICP-MS].

PubMed

Liu, Hong-Wei; Qin, Zong-Hui; Xie, Hua-Lin; Cao, Shu

2013-01-01

The present paper describes a simple method for the determination of trace elements in sunflower seeds by using inductively coupled plasma optical emission spectrometry (ICP-OES) and inductively coupled plasma spectrometry (ICP-MS). HNO3 + H2O2 were used to achieve the complete decomposition of the organic matrix in a closed-vessel microwave oven. The contents of 10 trace elements (Al, B, Ca, Fe, K, Mg, Na, Si, P and S) in sunflower seeds were determined by ICP-OES while 18 trace elements (As, Ba, Cd, Co, Cr, Cu, Li, Mn, Mo, Ni, Pb, Rb, Sr, Sn, Sb, Ti, V and Zn) were determined by ICP-MS. The rice reference material (GBW10045) was used as standard reference materials. The results showed a good agreement between measured and certified values for all analytes. The concentrations of necessary micro elements Ca, K, Mg, P and S were higher. This method was simple, sensitive and precise and can perform simultaneous multi-elements determination of sunflower seeds.

A comparative study of an ABC and an artificial absorber for truncating finite element meshes

NASA Technical Reports Server (NTRS)

Oezdemir, T.; Volakis, John L.

1993-01-01

The type of mesh termination used in the context of finite element formulations plays a major role on the efficiency and accuracy of the field solution. The performance of an absorbing boundary condition (ABC) and an artificial absorber (a new concept) for terminating the finite element mesh was evaluated. This analysis is done in connection with the problem of scattering by a finite slot array in a thick ground plane. The two approximate mesh truncation schemes are compared with the exact finite element-boundary integral (FEM-BI) method in terms of accuracy and efficiency. It is demonstrated that both approximate truncation schemes yield reasonably accurate results even when the mesh is extended only 0.3 wavelengths away from the array aperture. However, the artificial absorber termination method leads to a substantially more efficient solution. Moreover, it is shown that the FEM-BI method remains quite competitive with the FEM-artificial absorber method when the FFT is used for computing the matrix-vector products in the iterative solution algorithm. These conclusions are indeed surprising and of major importance in electromagnetic simulations based on the finite element method.

High-precision solution to the moving load problem using an improved spectral element method

NASA Astrophysics Data System (ADS)

Wen, Shu-Rui; Wu, Zhi-Jing; Lu, Nian-Li

2018-02-01

In this paper, the spectral element method (SEM) is improved to solve the moving load problem. In this method, a structure with uniform geometry and material properties is considered as a spectral element, which means that the element number and the degree of freedom can be reduced significantly. Based on the variational method and the Laplace transform theory, the spectral stiffness matrix and the equivalent nodal force of the beam-column element are established. The static Green function is employed to deduce the improved function. The proposed method is applied to two typical engineering practices—the one-span bridge and the horizontal jib of the tower crane. The results have revealed the following. First, the new method can yield extremely high-precision results of the dynamic deflection, the bending moment and the shear force in the moving load problem. In most cases, the relative errors are smaller than 1%. Second, by comparing with the finite element method, one can obtain the highly accurate results using the improved SEM with smaller element numbers. Moreover, the method can be widely used for statically determinate as well as statically indeterminate structures. Third, the dynamic deflection of the twin-lift jib decreases with the increase in the moving load speed, whereas the curvature of the deflection increases. Finally, the dynamic deflection, the bending moment and the shear force of the jib will all increase as the magnitude of the moving load increases.

A Kalman filter for a two-dimensional shallow-water model

NASA Technical Reports Server (NTRS)

Parrish, D. F.; Cohn, S. E.

1985-01-01

A two-dimensional Kalman filter is described for data assimilation for making weather forecasts. The filter is regarded as superior to the optimal interpolation method because the filter determines the forecast error covariance matrix exactly instead of using an approximation. A generalized time step is defined which includes expressions for one time step of the forecast model, the error covariance matrix, the gain matrix, and the evolution of the covariance matrix. Subsequent time steps are achieved by quantifying the forecast variables or employing a linear extrapolation from a current variable set, assuming the forecast dynamics are linear. Calculations for the evolution of the error covariance matrix are banded, i.e., are performed only with the elements significantly different from zero. Experimental results are provided from an application of the filter to a shallow-water simulation covering a 6000 x 6000 km grid.

Decay of correlations between cross-polarized electromagnetic waves in a two-dimensional random medium.

PubMed

Gorodnichev, E E

2018-04-01

The problem of multiple scattering of polarized light in a two-dimensional medium composed of fiberlike inhomogeneities is studied. The attenuation lengths for the density matrix elements are calculated. For a highly absorbing medium it is found that, as the sample thickness increases, the intensity of waves polarized along the fibers decays faster than the other density matrix elements. With further increase in the sample thickness, the off-diagonal elements which are responsible for correlations between the cross-polarized waves disappear. In the asymptotic limit of very thick samples the scattered light proves to be polarized perpendicular to the fibers. The difference in the attenuation lengths between the density matrix elements results in a nonmonotonic depth dependence of the degree of polarization. In the opposite case of a weakly absorbing medium, the off-diagonal element of the density matrix and, correspondingly, the correlations between the cross-polarized fields are shown to decay faster than the intensity of waves polarized along and perpendicular to the fibers.

TELEPHONIC PRESENTATION: MERCURY MEASUREMENTS FOR SOLIDS MADE RAPIDLY, SIMPLY, AND INEXPENSIVELY

EPA Science Inventory

While traditional methods for determining mercury in solid samples involve the use of aggressive chemicals to dissolve the matrix and the use of other chemicals to properly reduce the mercury to the volatile elemental form, pyrolysis-based analyzers can be used by directly weighi...

Top quark produced through the electroweak force: Discovery using the matrix element analysis and search for heavy gauge bosons using boosted decision trees

NASA Astrophysics Data System (ADS)

Pangilinan, Monica

The top quark produced through the electroweak channel provides a direct measurement of the Vtb element in the CKM matrix which can be viewed as a transition rate of a top quark to a bottom quark. This production channel of top quark is also sensitive to different theories beyond the Standard Model such as heavy charged gauged bosons termed W'. This thesis measures the cross section of the electroweak produced top quark using a technique based on using the matrix elements of the processes under consideration. The technique is applied to 2.3 fb--1 of data from the DO detector. From a comparison of the matrix element discriminants between data and the signal and background model using Bayesian statistics, we measure the cross section of the top quark produced through the electroweak mechanism spp¯→ tb+X,tqb+X=4.30+0.98-1.2 0pb The measured result corresponds to a 4.9sigma Gaussian-equivalent significance. By combining this analysis with other analyses based on the Bayesian Neural Network (BNN) and Boosted Decision Tree (BDT) method, the measured cross section is 3.94 +/- 0.88 pb with a significance of 5.0sigma, resulting in the discovery of electroweak produced top quarks. Using this measured cross section and constraining |Vtb| < 1, the 95% confidence level (C.L.) lower limit is |Vtb| > 0.78. Additionally, a search is made for the production of W' using the same samples from the electroweak produced top quark. An analysis based on the BDT method is used to separate the signal from expected backgrounds. No significant excess is found and 95% C.L. upper limits on the production cross section are set for W' with masses within 600--950 GeV. For four general models of W' boson production using decay channel W' → tb¯, the lower mass limits are the following: M( W'L with SM couplings) > 840 GeV; M( W'R ) > 880 GeV or 890 GeV if the right-handed neutrino is lighter or heavier than W'R ; and M( W'L+R ) > 915 GeV.

Multi-Hadron Observables from Lattice Quantum Chromodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, Maxwell

2014-01-01

We describe formal work that relates the nite-volume spectrum in a quantum eld theory to scattering and decay amplitudes. This is of particular relevance to numerical calculations performed using Lattice Quantum Chromodynamics (LQCD). Correlators calculated using LQCD can only be determined on the Euclidean time axis. For this reason the standard method of determining scattering amplitudes via the Lehmann-Symanzik-Zimmermann reduction formula cannot be employed. By contrast, the nite-volume spectrum is directly accessible in LQCD calculations. Formalism for relating the spectrum to physical scattering observables is thus highly desirable. In this thesis we develop tools for extracting physical information from LQCDmore » for four types of observables. First we analyze systems with multiple, strongly-coupled two-scalar channels. Here we accommodate both identical and nonidentical scalars, and in the latter case allow for degenerate as well as nondegenerate particle masses. Using relativistic eld theory, and summing to all orders in perturbation theory, we derive a result relating the nite-volume spectrum to the two-to-two scattering amplitudes of the coupled-channel theory. This generalizes the formalism of Martin L uscher for the case of single-channel scattering. Second we consider the weak decay of a single particle into multiple, coupled two-scalar channels. We show how the nite-volume matrix element extracted in LQCD is related to matrix elements of asymptotic two-particle states, and thus to decay amplitudes. This generalizes work by Laurent Lellouch and Martin L uscher. Third we extend the method for extracting matrix elements by considering currents which insert energy, momentum and angular momentum. This allows one to extract transition matrix elements and form factors from LQCD. Finally we look beyond two-particle systems to those with three-particles in asymptotic states. Working again to all orders in relativistic eld theory, we derive a relation between the spectrum and an in nite-volume three-to-three scattering quantity. This nal analysis is the most complicated of the four, because the all-orders summation is more di cult for this system, and also because a number of new technical issues arise in analyzing the contributing diagrams.« less

Determination of magic wavelengths for the 7 s 1/2 2S -7 p 3/2, 1/2 2P transitions in Fr

NASA Astrophysics Data System (ADS)

Singh, Sukhjit; Sahoo, B. K.; Arora, Bindiya

2016-08-01

Magic wavelengths (λmagic) for the 7 S1 /2-7 P1 /2 ,3 /2 transitions (D lines) in Fr were reported by Dammalapati et al. [U. Dammalapati, K. Harada, and Y. Sakemi, Phys. Rev. A 93, 043407 (2016), 10.1103/PhysRevA.93.043407]. These λmagic were determined by plotting dynamic polarizabilities (α ) of the involved states with the above transitions against a desired range of wavelengths. Electric dipole (E1) matrix elements listed in [J. E. Sansonetti, J. Phys. Chem. Ref. Data 36, 497 (2007), 10.1063/1.2719251], from the measured lifetimes of the 7 P1 /2 ,3 /2 states and from the calculations considering core-polarization effects in the relativistic Hartree-Fock (HFR) method, were used to determine α . However, contributions from core correlation effects and from the E1 matrix elements of the 7 P -7 S , 7 P -8 S , and 7 P -6 D transitions to α of the 7 P states were ignored. In this work, we demonstrate importance of these contributions and improve accuracies of α further by replacing the E1 matrix elements taken from the HFR method by the values obtained employing relativistic coupled-cluster theory. Our static α are found to be in excellent agreement with the other available theoretical results, whereas substituting the E1 matrix elements used by Dammalapati et al. gives very small α values for the 7 P states. Owing to this, we find disagreement in λmagic reported by Dammalapati et al. for linearly polarized light, especially at wavelengths close to the D lines and in the infrared region. As a consequence, a λmagic reported at 797.75 nm which was seen supporting a blue detuned trap in their work is now estimated at 771.03 nm and is supporting a red detuned trap. Also, none of our results match with the earlier results for circularly polarized light. Moreover, our static values of α will be very useful for guiding experiments to carry out their measurements.

[Determination of 235U/238U isotope ratios in camphor tree bark samples by MC-ICP-MS after separation of uranium from matrix elements].

PubMed

Wang, Xiao-Ping; Zhang, Ji-Long

2007-07-01

Twelve camphor (cinnamomum camphora) tree bark samples were collected from Hiroshima and Kyoto, and the matrix element composition and morphology of the outer surface of these camphor tree bark samples were studied by EDXS and SEM respectively. After a dry decomposition, DOWEX 1-X8 anion exchange resin was used to separate uranium from matrix elements in these camphor tree bark samples. Finally, 235U/238 U isotope ratios in purified uranium solutions were determined by MC-ICP-MS. It was demonstrated that the outer surface of these camphor tree bark samples is porous and rough, with Al, Ca, Fe, K, Mg, Si, C, O and S as its matrix element composition. Uranium in these camphor tree bark samples can be efficiently separated and quantitatively recovered from the matrix element composition. Compared with those collected from Kyoto, the camphor tree bark samples collected from Hiroshima have significantly higher uranium contents, which may be due to the increased aerosol mass concentration during the city reconstruction. Moreover, the 235 U/23.U isotope ratios in a few camphor tree bark samples collected from Hiroshima are slightly higher than 0.007 25.

Dimension-six matrix elements for meson mixing and lifetimes from sum rules

NASA Astrophysics Data System (ADS)

Kirk, M.; Lenz, A.; Rauh, T.

2017-12-01

The hadronic matrix elements of dimension-six Δ F = 0, 2 operators are crucial inputs for the theory predictions of mixing observables and lifetime ratios in the B and D system. We determine them using HQET sum rules for three-point correlators. The results of the required three-loop computation of the correlators and the one-loop computation of the QCD-HQET matching are given in analytic form. For mixing matrix elements we find very good agreement with recent lattice results and comparable theoretical uncertainties. For lifetime matrix elements we present the first ever determination in the D meson sector and the first determination of Δ B = 0 matrix elements with uncertainties under control — superseeding preliminary lattice studies stemming from 2001 and earlier. With our state-of-the-art determination of the bag parameters we predict: τ( B +)/ τ( B d 0 ) = 1.082 - 0.026 + 0.022 , τ( B s 0 )/ τ( B d 0 ) = 0.9994 ± 0.0025, τ( D +)/ τ( D 0) = 2. 7 - 0.8 + 0.7 and the mixing-observables in the B s and B d system, in good agreement with the most recent experimental averages.

Improved lattice computation of proton decay matrix elements

NASA Astrophysics Data System (ADS)

Aoki, Yasumichi; Izubuchi, Taku; Shintani, Eigo; Soni, Amarjit

2017-07-01

We present an improved result for the lattice computation of the proton decay matrix elements in Nf=2 +1 QCD. In this study, by adopting the error reduction technique of all-mode-averaging, a significant improvement of the statistical accuracy is achieved for the relevant form factor of proton (and also neutron) decay on the gauge ensemble of Nf=2 +1 domain-wall fermions with mπ=0.34 - 0.69 GeV on a 2.7 fm3 lattice, as used in our previous work [1]. We improve the total accuracy of matrix elements to 10-15% from 30-40% for p →π e+ or from 20-40% for p →K ν ¯. The accuracy of the low-energy constants α and β in the leading-order baryon chiral perturbation theory (BChPT) of proton decay are also improved. The relevant form factors of p →π estimated through the "direct" lattice calculation from the three-point function appear to be 1.4 times smaller than those from the "indirect" method using BChPT with α and β . It turns out that the utilization of our result will provide a factor 2-3 larger proton partial lifetime than that obtained using BChPT. We also discuss the use of these parameters in a dark matter model.

Single-step solubilization of milk samples with N,N-dimethylformamide for inductively coupled plasma-mass spectrometry analysis and classification based on their elemental composition.

PubMed

Azcarate, Silvana M; Savio, Marianela; Smichowski, Patricia; Martinez, Luis D; Camiña, José M; Gil, Raúl A

2015-10-01

A single-step procedure for trace elements analysis of milk samples is presented. Solubilization with small amounts of dymethylformamide (DMF) was assayed prior to inductively coupled plasma mass spectrometry (ICPMS) detection with a high efficiency sample introduction system. All main instrumental conditions were optimized in order to readily introduce the samples without matrix elimination. In order to assess and mitigate matrix effects in the determination of As, Cd, Co, Cu, Eu, Ga, Gd, Ge, Mn, Mo, Nb, Nd, Ni, Pb, Pr, Rb, Sm, S, Sr, Ta, Tb, V, Zn, and Zr, matrix matching calibration with (103)Rh as internal standard (IS) was performed. The obtained limits of detection were between 0.68 (Tb) and 30 (Zn) μg L(-1). For accuracy verification, certified Skim milk powder reference material (BCR 063R) was employed. The developed method was applied to trace elements analysis of commercially available milks. Principal components analysis was used to correlate the content of trace metals with the kind of milk, obtaining a classification according to adults, baby or baby fortified milks. The outcomes highlight a simple and fast approach that could be trustworthy for routine analysis, quality control and traceability of milks. Copyright © 2015 Elsevier B.V. All rights reserved.

The microstructure-processing-property relationships in an aluminum matrix composite system reinforced by aluminum-copper-iron alloy particles

NASA Astrophysics Data System (ADS)

Tang, Fei

Solid state vacuum sintering was studied in tap densified Al powder and in hot quasi-isostatically forged samples composed of commercial inert gas atomized or high purity Al powder, generated by a gas atomization reaction synthesis (GARS) technique. The GARS process results in spherical Al powder with a far thinner surface oxide. The overall results indicated the enhanced ability of GARS-processed Al and Al alloy powders for solid state sintering, which may lead to simplification of current Al powder consolidation processing methods. Elemental Al-based composites reinforced with spherical Al-Cu-Fe alloy powders were produced by quasi-isostatic forging and vacuum hot pressing (VHP) consolidation methods. It was proved that spherical Al-Cu-Fe alloy powders can serve as an effective reinforcement particulate for elemental Al-based composites, because of their high hardness and a preferred type of matrix/reinforcement interfacial bonding, with reduced strain concentration around the particles. Ultimate tensile strength and yield strength of the composites were increased over the corresponding Al matrix values, far beyond typical observations. This remarkable strengthening was achieved without precipitation hardening and without severe strain hardening during consolidation because of the matrix choice (elemental Al) and the "low shear" consolidation methods utilized. This reinforcement effectiveness is further evidenced by elastic modulus measurements of the composites that are very close to the upper bound predictions of the rule of mixtures. The load partitioning measurements by neutron diffraction showed that composite samples made from GARS powders present significantly higher load transfer efficiency than the composites made from commercially atomized powders. Further analysis of the load sharing measurements and the calculated values of the mismatch of coefficient of thermal expansion (CTE) and the geometrically necessary dislocation (GND) effects suggest that these strengthening mechanisms can be combined to predict accurately the strength of the composites. By neutron diffraction measurements, it also was found that the composites consolidated from Al and Al63Cu25Fe12 quasicrystal alloy reinforcement powders have compressive residual stress in the Al matrix, contrary to the tensile residual stress in typical Al/SiC composites. The composites made by the quasi-isostatic forging process exhibited higher tensile strengths and much higher compressive residual stresses than the composites made by the VHP process.

SU-G-TeP1-15: Toward a Novel GPU Accelerated Deterministic Solution to the Linear Boltzmann Transport Equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, R; Fallone, B; Cross Cancer Institute, Edmonton, AB

Purpose: To develop a Graphic Processor Unit (GPU) accelerated deterministic solution to the Linear Boltzmann Transport Equation (LBTE) for accurate dose calculations in radiotherapy (RT). A deterministic solution yields the potential for major speed improvements due to the sparse matrix-vector and vector-vector multiplications and would thus be of benefit to RT. Methods: In order to leverage the massively parallel architecture of GPUs, the first order LBTE was reformulated as a second order self-adjoint equation using the Least Squares Finite Element Method (LSFEM). This produces a symmetric positive-definite matrix which is efficiently solved using a parallelized conjugate gradient (CG) solver. Themore » LSFEM formalism is applied in space, discrete ordinates is applied in angle, and the Multigroup method is applied in energy. The final linear system of equations produced is tightly coupled in space and angle. Our code written in CUDA-C was benchmarked on an Nvidia GeForce TITAN-X GPU against an Intel i7-6700K CPU. A spatial mesh of 30,950 tetrahedral elements was used with an S4 angular approximation. Results: To avoid repeating a full computationally intensive finite element matrix assembly at each Multigroup energy, a novel mapping algorithm was developed which minimized the operations required at each energy. Additionally, a parallelized memory mapping for the kronecker product between the sparse spatial and angular matrices, including Dirichlet boundary conditions, was created. Atomicity is preserved by graph-coloring overlapping nodes into separate kernel launches. The one-time mapping calculations for matrix assembly, kronecker product, and boundary condition application took 452±1ms on GPU. Matrix assembly for 16 energy groups took 556±3s on CPU, and 358±2ms on GPU using the mappings developed. The CG solver took 93±1s on CPU, and 468±2ms on GPU. Conclusion: Three computationally intensive subroutines in deterministically solving the LBTE have been formulated on GPU, resulting in two orders of magnitude speedup. Funding support from Natural Sciences and Engineering Research Council and Alberta Innovates Health Solutions. Dr. Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization).« less

The multifacet graphically contracted function method. I. Formulation and implementation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shepard, Ron; Brozell, Scott R.; Gidofalvi, Gergely

2014-08-14

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that bothmore » the energy and the gradient computation scale as O(N{sup 2}n{sup 4}) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N{sub 2} dissociation, cubic H{sub 8} dissociation, the symmetric dissociation of H{sub 2}O, and the insertion of Be into H{sub 2}. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.« less

Single-phase power distribution system power flow and fault analysis

NASA Technical Reports Server (NTRS)

Halpin, S. M.; Grigsby, L. L.

1992-01-01

Alternative methods for power flow and fault analysis of single-phase distribution systems are presented. The algorithms for both power flow and fault analysis utilize a generalized approach to network modeling. The generalized admittance matrix, formed using elements of linear graph theory, is an accurate network model for all possible single-phase network configurations. Unlike the standard nodal admittance matrix formulation algorithms, the generalized approach uses generalized component models for the transmission line and transformer. The standard assumption of a common node voltage reference point is not required to construct the generalized admittance matrix. Therefore, truly accurate simulation results can be obtained for networks that cannot be modeled using traditional techniques.

XFEM with equivalent eigenstrain for matrix-inclusion interfaces

NASA Astrophysics Data System (ADS)

Benvenuti, Elena

2014-05-01

Several engineering applications rely on particulate composite materials, and numerical modelling of the matrix-inclusion interface is therefore a crucial part of the design process. The focus of this work is on an original use of the equivalent eigenstrain concept in the development of a simplified eXtended Finite Element Method. Key points are: the replacement of the matrix-inclusion interface by a coating layer with small but finite thickness, and its simulation as an inclusion with an equivalent eigenstrain. For vanishing thickness, the model is consistent with a spring-like interface model. The problem of a spherical inclusion within a cylinder is solved. The results show that the proposed approach is effective and accurate.

Axial-Current Matrix Elements in Light Nuclei from Lattice QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Savage, Martin; Shanahan, Phiala E.; Tiburzi, Brian C.

2016-12-01

I present results from the first lattice QCD calculations of axial-current matrix elements in light nuclei, performed by the NPLQCD collaboration. Precision calculations of these matrix elements, and the subsequent extraction of multi-nucleon axial-current operators, are essential in refining theoretical predictions of the proton-proton fusion cross section, neutrino-nucleus cross sections andmore » $$\\beta\\beta$$-decay rates of nuclei. In addition, they are expected to shed light on the phenomenological quenching of $$g_A$$ that is required in nuclear many-body calculations.« less

Matrix elements of vibration kinetic energy operator of tetrahedral molecules in non-orthogonal-dependent coordinates

NASA Astrophysics Data System (ADS)

Protasevich, Alexander E.; Nikitin, Andrei V.

2018-01-01

In this work, we propose an algorithm for calculating the matrix elements of the kinetic energy operator for tetrahedral molecules. This algorithm uses the dependent six-angle coordinates (6A) and takes into account the full symmetry of molecules. Unlike A.V. Nikitin, M. Rey, and Vl. G. Tyuterev who operate with the kinetic energy operator only in Radau orthogonal coordinates, we consider a general case. The matrix elements are shown to be a sum of products of one-dimensional integrals.

3D CSEM inversion based on goal-oriented adaptive finite element method

NASA Astrophysics Data System (ADS)

Zhang, Y.; Key, K.

2016-12-01

We present a parallel 3D frequency domain controlled-source electromagnetic inversion code name MARE3DEM. Non-linear inversion of observed data is performed with the Occam variant of regularized Gauss-Newton optimization. The forward operator is based on the goal-oriented finite element method that efficiently calculates the responses and sensitivity kernels in parallel using a data decomposition scheme where independent modeling tasks contain different frequencies and subsets of the transmitters and receivers. To accommodate complex 3D conductivity variation with high flexibility and precision, we adopt the dual-grid approach where the forward mesh conforms to the inversion parameter grid and is adaptively refined until the forward solution converges to the desired accuracy. This dual-grid approach is memory efficient, since the inverse parameter grid remains independent from fine meshing generated around the transmitter and receivers by the adaptive finite element method. Besides, the unstructured inverse mesh efficiently handles multiple scale structures and allows for fine-scale model parameters within the region of interest. Our mesh generation engine keeps track of the refinement hierarchy so that the map of conductivity and sensitivity kernel between the forward and inverse mesh is retained. We employ the adjoint-reciprocity method to calculate the sensitivity kernels which establish a linear relationship between changes in the conductivity model and changes in the modeled responses. Our code uses a direcy solver for the linear systems, so the adjoint problem is efficiently computed by re-using the factorization from the primary problem. Further computational efficiency and scalability is obtained in the regularized Gauss-Newton portion of the inversion using parallel dense matrix-matrix multiplication and matrix factorization routines implemented with the ScaLAPACK library. We show the scalability, reliability and the potential of the algorithm to deal with complex geological scenarios by applying it to the inversion of synthetic marine controlled source EM data generated for a complex 3D offshore model with significant seafloor topography.

Construction of SO(5)⊃SO(3) spherical harmonics and Clebsch-Gordan coefficients

NASA Astrophysics Data System (ADS)

Caprio, M. A.; Rowe, D. J.; Welsh, T. A.

2009-07-01

The SO(5)⊃SO(3) spherical harmonics form a natural basis for expansion of nuclear collective model angular wave functions. They underlie the recently-proposed algebraic method for diagonalization of the nuclear collective model Hamiltonian in an SU(1,1)×SO(5) basis. We present a computer code for explicit construction of the SO(5)⊃SO(3) spherical harmonics and use them to compute the Clebsch-Gordan coefficients needed for collective model calculations in an SO(3)-coupled basis. With these Clebsch-Gordan coefficients it becomes possible to compute the matrix elements of collective model observables by purely algebraic methods. Program summaryProgram title: GammaHarmonic Catalogue identifier: AECY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECY_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 346 421 No. of bytes in distributed program, including test data, etc.: 16 037 234 Distribution format: tar.gz Programming language: Mathematica 6 Computer: Any which supports Mathematica Operating system: Any which supports Mathematica; tested under Microsoft Windows XP and Linux Classification: 4.2 Nature of problem: Explicit construction of SO(5) ⊃ SO(3) spherical harmonics on S. Evaluation of SO(3)-reduced matrix elements and SO(5) ⊃ SO(3) Clebsch-Gordan coefficients (isoscalar factors). Solution method: Construction of SO(5) ⊃ SO(3) spherical harmonics by orthonormalization, obtained from a generating set of functions, according to the method of Rowe, Turner, and Repka [1]. Matrix elements and Clebsch-Gordan coefficients follow by construction and integration of SO(3) scalar products. Running time: Depends strongly on the maximum SO(5) and SO(3) representation labels involved. A few minutes for the calculation in the Mathematica notebook. References: [1] D.J. Rowe, P.S. Turner, J. Repka, J. Math. Phys. 45 (2004) 2761.

Lecture Notes on Multigrid Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vassilevski, P S

The Lecture Notes are primarily based on a sequence of lectures given by the author while been a Fulbright scholar at 'St. Kliment Ohridski' University of Sofia, Sofia, Bulgaria during the winter semester of 2009-2010 academic year. The notes are somewhat expanded version of the actual one semester class he taught there. The material covered is slightly modified and adapted version of similar topics covered in the author's monograph 'Multilevel Block-Factorization Preconditioners' published in 2008 by Springer. The author tried to keep the notes as self-contained as possible. That is why the lecture notes begin with some basic introductory matrix-vectormore » linear algebra, numerical PDEs (finite element) facts emphasizing the relations between functions in finite dimensional spaces and their coefficient vectors and respective norms. Then, some additional facts on the implementation of finite elements based on relation tables using the popular compressed sparse row (CSR) format are given. Also, typical condition number estimates of stiffness and mass matrices, the global matrix assembly from local element matrices are given as well. Finally, some basic introductory facts about stationary iterative methods, such as Gauss-Seidel and its symmetrized version are presented. The introductory material ends up with the smoothing property of the classical iterative methods and the main definition of two-grid iterative methods. From here on, the second part of the notes begins which deals with the various aspects of the principal TG and the numerous versions of the MG cycles. At the end, in part III, we briefly introduce algebraic versions of MG referred to as AMG, focusing on classes of AMG specialized for finite element matrices.« less

Photomask CD and LER characterization using Mueller matrix spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Heinrich, A.; Dirnstorfer, I.; Bischoff, J.; Meiner, K.; Ketelsen, H.; Richter, U.; Mikolajick, T.

2014-10-01

Critical dimension and line edge roughness on photomask arrays are determined with Mueller matrix spectroscopic ellipsometry. Arrays with large sinusoidal perturbations are measured for different azimuth angels and compared with simulations based on rigorous coupled wave analysis. Experiment and simulation show that line edge roughness leads to characteristic changes in the different Mueller matrix elements. The influence of line edge roughness is interpreted as an increase of isotropic character of the sample. The changes in the Mueller matrix elements are very similar when the arrays are statistically perturbed with rms roughness values in the nanometer range suggesting that the results on the sinusoidal test structures are also relevant for "real" mask errors. Critical dimension errors and line edge roughness have similar impact on the SE MM measurement. To distinguish between both deviations, a strategy based on the calculation of sensitivities and correlation coefficients for all Mueller matrix elements is shown. The Mueller matrix elements M13/M31 and M34/M43 are the most suitable elements due to their high sensitivities to critical dimension errors and line edge roughness and, at the same time, to a low correlation coefficient between both influences. From the simulated sensitivities, it is estimated that the measurement accuracy has to be in the order of 0.01 and 0.001 for the detection of 1 nm critical dimension error and 1 nm line edge roughness, respectively.

INTERNATIONAL CONFERENCE ON SEMICONDUCTOR INJECTION LASERS SELCO-87: Method for calculation of electrical and optical properties of laser active media

NASA Astrophysics Data System (ADS)

Aleksandrov, D. G.; Filipov, F. I.

1988-11-01

A method is proposed for calculation of the electron band structure of multicomponent semiconductor solid solutions. Use is made of virtual atomic orbitals formed from real orbitals. The method represents essentially an approximation of a multicomponent solid solution by a binary one. The matrix elements of the Hamiltonian are obtained in the methods of linear combinations of atomic and bound orbitals. Some approximations used in these methods are described.

A New Low Complexity Angle of Arrival Algorithm for 1D and 2D Direction Estimation in MIMO Smart Antenna Systems

PubMed Central

Al-Sadoon, Mohammed A. G.; Zuid, Abdulkareim; Jones, Stephen M. R.; Noras, James M.

2017-01-01

This paper proposes a new low complexity angle of arrival (AOA) method for signal direction estimation in multi-element smart wireless communication systems. The new method estimates the AOAs of the received signals directly from the received signals with significantly reduced complexity since it does not need to construct the correlation matrix, invert the matrix or apply eigen-decomposition, which are computationally expensive. A mathematical model of the proposed method is illustrated and then verified using extensive computer simulations. Both linear and circular sensors arrays are studied using various numerical examples. The method is systematically compared with other common and recently introduced AOA methods over a wide range of scenarios. The simulated results show that the new method has several advantages in terms of reduced complexity and improved accuracy under the assumptions of correlated signals and limited numbers of snapshots. PMID:29140313

A New Low Complexity Angle of Arrival Algorithm for 1D and 2D Direction Estimation in MIMO Smart Antenna Systems.

PubMed

Al-Sadoon, Mohammed A G; Ali, Nazar T; Dama, Yousf; Zuid, Abdulkareim; Jones, Stephen M R; Abd-Alhameed, Raed A; Noras, James M

2017-11-15

This paper proposes a new low complexity angle of arrival (AOA) method for signal direction estimation in multi-element smart wireless communication systems. The new method estimates the AOAs of the received signals directly from the received signals with significantly reduced complexity since it does not need to construct the correlation matrix, invert the matrix or apply eigen-decomposition, which are computationally expensive. A mathematical model of the proposed method is illustrated and then verified using extensive computer simulations. Both linear and circular sensors arrays are studied using various numerical examples. The method is systematically compared with other common and recently introduced AOA methods over a wide range of scenarios. The simulated results show that the new method has several advantages in terms of reduced complexity and improved accuracy under the assumptions of correlated signals and limited numbers of snapshots.

Overcoming Matrix Effects in a Complex Sample: Analysis of Multiple Elements in Multivitamins by Atomic Absorption Spectroscopy

ERIC Educational Resources Information Center

Arnold, Randy J.; Arndt, Brett; Blaser, Emilia; Blosser, Chris; Caulton, Dana; Chung, Won Sog; Fiorenza, Garrett; Heath, Wyatt; Jacobs, Alex; Kahng, Eunice; Koh, Eun; Le, Thao; Mandla, Kyle; McCory, Chelsey; Newman, Laura; Pithadia, Amit; Reckelhoff, Anna; Rheinhardt, Joseph; Skljarevski, Sonja; Stuart, Jordyn; Taylor, Cassie; Thomas, Scott; Tse, Kyle; Wall, Rachel; Warkentien, Chad

2011-01-01

A multivitamin tablet and liquid are analyzed for the elements calcium, magnesium, iron, zinc, copper, and manganese using atomic absorption spectrometry. Linear calibration and standard addition are used for all elements except calcium, allowing for an estimate of the matrix effects encountered for this complex sample. Sample preparation using…

Transferring elements of a density matrix

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allahverdyan, Armen E.; Hovhannisyan, Karen V.; Yerevan State University, A. Manoogian Street 1, Yerevan

2010-01-15

We study restrictions imposed by quantum mechanics on the process of matrix-element transfer. This problem is at the core of quantum measurements and state transfer. Given two systems A and B with initial density matrices lambda and r, respectively, we consider interactions that lead to transferring certain matrix elements of unknown lambda into those of the final state r-tilde of B. We find that this process eliminates the memory on the transferred (or certain other) matrix elements from the final state of A. If one diagonal matrix element is transferred, r(tilde sign){sub aa}=lambda{sub aa}, the memory on each nondiagonal elementmore » lambda{sub an}ot ={sub b} is completely eliminated from the final density operator of A. Consider the following three quantities, Relambda{sub an}ot ={sub b}, Imlambda{sub an}ot ={sub b}, and lambda{sub aa}-lambda{sub bb} (the real and imaginary part of a nondiagonal element and the corresponding difference between diagonal elements). Transferring one of them, e.g., Rer(tilde sign){sub an}ot ={sub b}=Relambda{sub an}ot ={sub b}, erases the memory on two others from the final state of A. Generalization of these setups to a finite-accuracy transfer brings in a trade-off between the accuracy and the amount of preserved memory. This trade-off is expressed via system-independent uncertainty relations that account for local aspects of the accuracy-disturbance trade-off in quantum measurements. Thus, the general aspect of state disturbance in quantum measurements is elimination of memory on non-diagonal elements, rather than diagonalization.« less

Constraining anomalous Higgs boson couplings to the heavy-flavor fermions using matrix element techniques

NASA Astrophysics Data System (ADS)

Gritsan, Andrei V.; Röntsch, Raoul; Schulze, Markus; Xiao, Meng

2016-09-01

In this paper, we investigate anomalous interactions of the Higgs boson with heavy fermions, employing shapes of kinematic distributions. We study the processes p p →t t ¯+H , b b ¯+H , t q +H , and p p →H →τ+τ- and present applications of event generation, reweighting techniques for fast simulation of anomalous couplings, as well as matrix element techniques for optimal sensitivity. We extend the matrix element likelihood approach (MELA) technique, which proved to be a powerful matrix element tool for Higgs boson discovery and characterization during Run I of the LHC, and implement all analysis tools in the JHU generator framework. A next-to-leading-order QCD description of the p p →t t ¯+H process allows us to investigate the performance of the MELA in the presence of extra radiation. Finally, projections for LHC measurements through the end of Run III are presented.

Relativistic, model-independent, multichannel 2 → 2 transition amplitudes in a finite volume

DOE PAGES

Briceno, Raul A.; Hansen, Maxwell T.

2016-07-13

We derive formalism for determining 2 + J → 2 infinite-volume transition amplitudes from finite-volume matrix elements. Specifically, we present a relativistic, model-independent relation between finite-volume matrix elements of external currents and the physically observable infinite-volume matrix elements involving two-particle asymptotic states. The result presented holds for states composed of two scalar bosons. These can be identical or non-identical and, in the latter case, can be either degenerate or non-degenerate. We further accommodate any number of strongly-coupled two-scalar channels. This formalism will, for example, allow future lattice QCD calculations of themore » $$\\rho$$-meson form factor, in which the unstable nature of the $$\\rho$$ is rigorously accommodated. In conclusion, we also discuss how this work will impact future extractions of nuclear parity and hadronic long-range matrix elements from lattice QCD.« less

Predicting the properties of the lead alloys from DFT calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buimaga-Iarinca, L., E-mail: luiza.iarinca@itim-cj.ro; Calborean, A.

2015-12-23

We provide qualitative results for the physical properties of the lead alloys at atomic scale by using DFT calculations. Our approach is based on the two assumptions: (i) the geometric structure of lead atoms provides a matrix where the alloying elements can take their positions in the structure as substitutions and (ii) there is a small probability of a direct interaction between the alloying elements, thus the interactions of each alloying element may be approximated by the interactions to the lead matrix. DFT calculations are used to investigate the interaction between several types of impurities and the lead matrix formore » low concentrations of the alloying element. We report results such as the enthalpy of formation, charge transfer and mechanical stress induced by the impurities in the lead matrix; these results can be used as qualitative guide in tuning the physico-chemical properties of the lead alloys.« less

Scattering Matrix for the Interaction between Solar Acoustic Waves and Sunspots. I. Measurements

NASA Astrophysics Data System (ADS)

Yang, Ming-Hsu; Chou, Dean-Yi; Zhao, Hui

2017-01-01

Assessing the interaction between solar acoustic waves and sunspots is a scattering problem. The scattering matrix elements are the most commonly used measured quantities to describe scattering problems. We use the wavefunctions of scattered waves of NOAAs 11084 and 11092 measured in the previous study to compute the scattering matrix elements, with plane waves as the basis. The measured scattered wavefunction is from the incident wave of radial order n to the wave of another radial order n‧, for n=0{--}5. For a time-independent sunspot, there is no mode mixing between different frequencies. An incident mode is scattered into various modes with different wavenumbers but the same frequency. Working in the frequency domain, we have the individual incident plane-wave mode, which is scattered into various plane-wave modes with the same frequency. This allows us to compute the scattering matrix element between two plane-wave modes for each frequency. Each scattering matrix element is a complex number, representing the transition from the incident mode to another mode. The amplitudes of diagonal elements are larger than those of the off-diagonal elements. The amplitude and phase of the off-diagonal elements are detectable only for n-1≤slant n\\prime ≤slant n+1 and -3{{Δ }}k≤slant δ {k}x≤slant 3{{Δ }}k, where δ {k}x is the change in the transverse component of the wavenumber and Δk = 0.035 rad Mm-1.

Evaluation of methods for trace-element determination with emphasis on their usability in the clinical routine laboratory.

PubMed

Bolann, B J; Rahil-Khazen, R; Henriksen, H; Isrenn, R; Ulvik, R J

2007-01-01

Commonly used techniques for trace-element analysis in human biological material are flame atomic absorption spectrometry (FAAS), graphite furnace atomic absorption spectrometry (GFAAS), inductively coupled plasma atomic emission spectrometry (ICP-AES) and inductively coupled plasma mass spectrometry (ICP-MS). Elements that form volatile hydrides, first of all mercury, are analysed by hydride generation techniques. In the absorption techniques the samples are vaporized into free, neutral atoms and illuminated by a light source that emits the atomic spectrum of the element under analysis. The absorbance gives a quantitative measure of the concentration of the element. ICP-AES and ICP-MS are multi-element techniques. In ICP-AES the atoms of the sample are excited by, for example, argon plasma at very high temperatures. The emitted light is directed to a detector, and the optical signals are processed to values for the concentrations of the elements. In ICP-MS a mass spectrometer separates and detects ions produced by the ICP, according to their mass-to-charge ratio. Dilution of biological fluids is commonly needed to reduce the effect of the matrix. Digestion using acids and microwave energy in closed vessels at elevated pressure is often used. Matrix and spectral interferences may cause problems. Precautions should be taken against trace-element contamination during collection, storage and processing of samples. For clinical problems requiring the analysis of only one or a few elements, the use of FAAS may be sufficient, unless the higher sensitivity of GFAAS is required. For screening of multiple elements, however, the ICP techniques are preferable.

Methods and means of Fourier-Stokes polarimetry and the spatial-frequency filtering of phase anisotropy manifestations in endometriosis diagnostics

NASA Astrophysics Data System (ADS)

Ushenko, A. G.; Dubolazov, O. V.; Ushenko, Vladimir A.; Ushenko, Yu. A.; Sakhnovskiy, M. Yu.; Prydiy, O. G.; Lakusta, I. I.; Novakovskaya, O. Yu.; Melenko, S. R.

2016-12-01

This research presents investigation results of diagnostic efficiency of a new azimuthally stable Mueller-matrix method of laser autofluorescence coordinate distributions analysis of dried polycrystalline films of uterine cavity peritoneal fluid. A new model of generalized optical anisotropy of biological tissues protein networks is proposed in order to define the processes of laser autofluorescence. The influence of complex mechanisms of both phase anisotropy (linear birefringence and optical activity) and linear (circular) dichroism is taken into account. The interconnections between the azimuthally stable Mueller-matrix elements characterizing laser autofluorescence and different mechanisms of optical anisotropy are determined. The statistic analysis of coordinate distributions of such Mueller-matrix rotation invariants is proposed. Thereupon the quantitative criteria (statistic moments of the 1st to the 4th order) of differentiation of dried polycrystalline films of peritoneal fluid - group 1 (healthy donors) and group 2 (uterus endometriosis patients) are estimated.

Orthonormal vector general polynomials derived from the Cartesian gradient of the orthonormal Zernike-based polynomials.

PubMed

Mafusire, Cosmas; Krüger, Tjaart P J

2018-06-01

The concept of orthonormal vector circle polynomials is revisited by deriving a set from the Cartesian gradient of Zernike polynomials in a unit circle using a matrix-based approach. The heart of this model is a closed-form matrix equation of the gradient of Zernike circle polynomials expressed as a linear combination of lower-order Zernike circle polynomials related through a gradient matrix. This is a sparse matrix whose elements are two-dimensional standard basis transverse Euclidean vectors. Using the outer product form of the Cholesky decomposition, the gradient matrix is used to calculate a new matrix, which we used to express the Cartesian gradient of the Zernike circle polynomials as a linear combination of orthonormal vector circle polynomials. Since this new matrix is singular, the orthonormal vector polynomials are recovered by reducing the matrix to its row echelon form using the Gauss-Jordan elimination method. We extend the model to derive orthonormal vector general polynomials, which are orthonormal in a general pupil by performing a similarity transformation on the gradient matrix to give its equivalent in the general pupil. The outer form of the Gram-Schmidt procedure and the Gauss-Jordan elimination method are then applied to the general pupil to generate the orthonormal vector general polynomials from the gradient of the orthonormal Zernike-based polynomials. The performance of the model is demonstrated with a simulated wavefront in a square pupil inscribed in a unit circle.

PROSPECT improves cis-acting regulatory element prediction by integrating expression profile data with consensus pattern searches

PubMed Central

Fujibuchi, Wataru; Anderson, John S. J.; Landsman, David

2001-01-01

Consensus pattern and matrix-based searches designed to predict cis-acting transcriptional regulatory sequences have historically been subject to large numbers of false positives. We sought to decrease false positives by incorporating expression profile data into a consensus pattern-based search method. We have systematically analyzed the expression phenotypes of over 6000 yeast genes, across 121 expression profile experiments, and correlated them with the distribution of 14 known regulatory elements over sequences upstream of the genes. Our method is based on a metric we term probabilistic element assessment (PEA), which is a ranking of potential sites based on sequence similarity in the upstream regions of genes with similar expression phenotypes. For eight of the 14 known elements that we examined, our method had a much higher selectivity than a naïve consensus pattern search. Based on our analysis, we have developed a web-based tool called PROSPECT, which allows consensus pattern-based searching of gene clusters obtained from microarray data. PMID:11574681

PRESENTED 04/05/2006: MERCURY MEASUREMENTS FOR SOLIDS MADE RAPIDLY, SIMPLY, AND INEXPENSIVELY

EPA Science Inventory

While traditional methods for determining mercury in solid samples involve the use of aggressive chemicals to dissolve the matrix and the use of other chemicals to properly reduce the mercury to the volatile elemental form, pyrolysis-based analyzers can be used by directly weighi...

PRESENTED MAY 10, 2005, MERCURY MEASUREMENTS FOR SOLIDS MADE RAPIDLY, SIMPLY, AND INEXPENSIVELY

EPA Science Inventory

While traditional methods for determining mercury in solid samples involve the use of aggressive chemicals to dissolve the matrix and the use of other chemicals to properly reduce the mercury to the volatile elemental form, pyrolysis-based analyzers can be used by directly weighi...

A recurrence matrix method for the analysis of longitudinal and torsional vibrations in non-uniform multibranch beams with variable boundary conditions

NASA Technical Reports Server (NTRS)

Davis, R. B.; Stephens, M. V.

1974-01-01

An approximate method for calculating the longitudinal and torsional natural frequencies and associated modal data of a beamlike, variable cross section multibranch structure is presented. The procedure described is the numerical integration of the first order differential equations that characterize the beam element in longitudinal motion and that satisfy the appropriate boundary conditions.

Calcium Isotope Analysis with "Peak Cut" Method on Column Chemistry

NASA Astrophysics Data System (ADS)

Zhu, H.; Zhang, Z.; Liu, F.; Li, X.

2017-12-01

To eliminate isobaric interferences from elemental and molecular isobars (e.g., 40K+, 48Ti+, 88Sr2+, 24Mg16O+, 27Al16O+) on Ca isotopes during mass determination, samples should be purified through ion-exchange column chemistry before analysis. However, large Ca isotopic fractionation has been observed during column chemistry (Russell and Papanastassiou, 1978; Zhu et al., 2016). Therefore, full recovery during column chemistry is greatly needed, otherwise uncertainties would be caused by poor recovery (Zhu et al., 2016). Generally, matrix effects could be enhanced by full recovery, as other elements might overlap with Ca cut during column chemistry. Matrix effects and full recovery are difficult to balance and both need to be considered for high-precision analysis of stable Ca isotopes. Here, we investigate the influence of poor recovery on δ44/40Ca using TIMS with the double spike technique. The δ44/40Ca values of IAPSO seawater, ML3B-G and BHVO-2 in different Ca subcats (e.g., 0-20, 20-40, 40-60, 60-80, 80-100%) with 20% Ca recovery on column chemistry display limited variation after correction by the 42Ca-43Ca double spike technique with the exponential law. Notably, δ44/40Ca of each Ca subcut is quite consistent with δ44/40Ca of Ca cut with full recovery within error. Our results indicate that the 42Ca-43Ca double spike technique can simultaneously correct both of the Ca isotopic fractionation that occurred during column chemistry and thermal ionization mass spectrometry (TIMS) determination properly, because both of the isotopic fractionation occurred during analysis follow the exponential law well. Therefore, we propose the "peak cut" method on Ca column chemistry for samples with complex matrix effects. Briefly, for samples with low Ca contents, we can add the double spike before column chemistry, and only collect the middle of the Ca eluate and abandon the both sides of Ca eluate that might overlap with other elements (e.g., K, Sr). This method would eliminate matrix effects and improve efficiency for the column chemistry.

Off-shell single-top production at NLO matched to parton showers

DOE PAGES

Frederix, R.; Frixione, S.; Papanastasiou, A. S.; ...

2016-06-06

We study the hadroproduction of a Wb pair in association with a light jet, focusing on the dominant t-channel contribution and including exactly at the matrix-element level all non-resonant and off-shell effects induced by the finite top-quark width. Our simulations are accurate to the next-to-leading order in QCD, and are matched to the Herwig6 and Pythia8 parton showers through the MC@NLO method. We present phenomenological results relevant to the 8 TeV LHC, and carry out a thorough comparison to the case of on-shell t-channel single-top production. Furthermore, we formulate our approach so that it can be applied to the generalmore » case of matrix elements that feature coloured intermediate resonances and are matched to parton showers.« less

Authorship matrix: a rational approach to quantify individual contributions and responsibilities in multi-author scientific articles.

PubMed

Clement, T Prabhakar

2014-06-01

We propose a rational method for addressing an important question-who deserves to be an author of a scientific article? We review various contentious issues associated with this question and recommend that the scientific community should view authorship in terms of contributions and responsibilities, rather than credits. We propose a new paradigm that conceptually divides a scientific article into four basic elements: ideas, work, writing, and stewardship. We employ these four fundamental elements to modify the well-known International Committee of Medical Journal Editors (ICMJE) authorship guidelines. The modified ICMJE guidelines are then used as the basis to develop an approach to quantify individual contributions and responsibilities in multi-author articles. The outcome of the approach is an authorship matrix, which can be used to answer several nagging questions related to authorship.

Evaluation of atomic constants for optical radiation, volume 2

NASA Technical Reports Server (NTRS)

Kylstra, C. D.; Schneider, R. J.

1974-01-01

Various atomic constant for 23 elements from helium to mercury were computed and are presented in tables. The data given for each element start with the element name, its atomic number, its ionic state, and the designation and series limit for each parent configuration. This is followed by information on the energy level, parent configuration, and designation for each term available to the program. The matrix elements subtables are ordered by the sequence numbers, which represent the initial and final levels of the transitions. Each subtable gives the following: configuration of the core or parent, designation and energy level for the reference state, effective principal quantum number, energy of the series limit, value of the matrix element for the reference state interacting with itself, and sum of all of the dipole matrix elements listed in the subtable. Dipole and quadrupole interaction data are also given.

MM&T Program to Establish Production Techniques for the Automatic Detection and Qualification of Trace Elements Present in the Production of Microwave Semiconductors.

DTIC Science & Technology

1981-03-01

lots. A single store of partially processed devices may serve as a source for several different product lines. Because the manufacture of microwave...matrix, or react chem- ically with some of the semiconductor materials. In some cases these element impurities may migrate to an interface inducing... different viscosity, the background intensity varied independently of the signal, a significant error could be introduced. A more effec- tive method

Reduced modeling of flexible structures for decentralized control

NASA Technical Reports Server (NTRS)

Yousuff, A.; Tan, T. M.; Bahar, L. Y.; Konstantinidis, M. F.

1986-01-01

Based upon the modified finite element-transfer matrix method, this paper presents a technique for reduced modeling of flexible structures for decentralized control. The modeling decisions are carried out at (finite-) element level, and are dictated by control objectives. A simply supported beam with two sets of actuators and sensors (linear force actuator and linear position and velocity sensors) is considered for illustration. In this case, it is conjectured that the decentrally controlled closed loop system is guaranteed to be at least marginally stable.

Telescoping Mechanics: A New Paradigm for Composite Behavior Simulation

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Murthy, P. L. N.; Gotsis, P. K.; Mital. S. K.

2004-01-01

This report reviews the application of telescoping mechanics to composites using recursive laminate theory. The elemental scale is the fiber-matrix slice, the behavior of which propagates to laminate. The results from using applications for typical, hybrid, and smart composites and composite-enhanced reinforced concrete structures illustrate the versatility and generality of telescoping scale mechanics. Comparisons with approximate, single-cell, and two- and three-dimensional finite-element methods demonstrate the accuracy and computational effectiveness of telescoping scale mechanics for predicting complex composite behavior.

Large-scale computation of incompressible viscous flow by least-squares finite element method

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Lin, T. L.; Povinelli, Louis A.

1993-01-01

The least-squares finite element method (LSFEM) based on the velocity-pressure-vorticity formulation is applied to large-scale/three-dimensional steady incompressible Navier-Stokes problems. This method can accommodate equal-order interpolations and results in symmetric, positive definite algebraic system which can be solved effectively by simple iterative methods. The first-order velocity-Bernoulli function-vorticity formulation for incompressible viscous flows is also tested. For three-dimensional cases, an additional compatibility equation, i.e., the divergence of the vorticity vector should be zero, is included to make the first-order system elliptic. The simple substitution of the Newton's method is employed to linearize the partial differential equations, the LSFEM is used to obtain discretized equations, and the system of algebraic equations is solved using the Jacobi preconditioned conjugate gradient method which avoids formation of either element or global matrices (matrix-free) to achieve high efficiency. To show the validity of this scheme for large-scale computation, we give numerical results for 2D driven cavity problem at Re = 10000 with 408 x 400 bilinear elements. The flow in a 3D cavity is calculated at Re = 100, 400, and 1,000 with 50 x 50 x 50 trilinear elements. The Taylor-Goertler-like vortices are observed for Re = 1,000.

Determination of trace rare earth elements in gadolinium aluminate by inductively coupled plasma time of flight mass spectrometry

NASA Astrophysics Data System (ADS)

Saha, Abhijit; Deb, S. B.; Nagar, B. K.; Saxena, M. K.

An analytical methodology was developed for the precise quantification of ten trace rare earth elements (REEs), namely, La, Ce, Pr, Nd, Sm, Eu, Tb, Dy, Ho, and Tm, in gadolinium aluminate (GdAlO3) employing an ultrasonic nebulizer (USN)-desolvating device based inductively coupled plasma mass spectrometry (ICP-MS). A microwave digestion procedure was optimized for digesting 100 mg of the refractory oxide using a mixture of sulphuric acid (H2SO4), phosphoric acid (H3PO4) and water (H2O) with 1400 W power, 10 min ramp and 60 min hold time. An USN-desolvating sample introduction system was employed to enhance analyte sensitivities by minimizing their oxide ion formation in the plasma. Studies on the effect of various matrix concentrations on the analyte intensities revealed that precise quantification of the analytes was possible with matrix level of 250 mg L- 1. The possibility of using indium as an internal standard was explored and applied to correct for matrix effect and variation in analyte sensitivity under plasma operating conditions. Individual oxide ion formation yields were determined in matrix matched solution and employed for correcting polyatomic interferences of light REE (LREE) oxide ions on the intensities of middle and heavy rare earth elements (MREEs and HREEs). Recoveries of ≥ 90% were achieved for the analytes employing standard addition technique. Three real samples were analyzed for traces of REEs by the proposed method and cross validated for Eu and Nd by isotope dilution mass spectrometry (IDMS). The results show no significant difference in the values at 95% confidence level. The expanded uncertainty (coverage factor 1σ) in the determination of trace REEs in the samples were found to be between 3 and 8%. The instrument detection limits (IDLs) and the method detection limits (MDLs) for the ten REEs lie in the ranges 1-5 ng L- 1 and 7-64 μg kg- 1 respectively.

Accurate Solution of Multi-Region Continuum Biomolecule Electrostatic Problems Using the Linearized Poisson-Boltzmann Equation with Curved Boundary Elements

PubMed Central

Altman, Michael D.; Bardhan, Jaydeep P.; White, Jacob K.; Tidor, Bruce

2009-01-01

We present a boundary-element method (BEM) implementation for accurately solving problems in biomolecular electrostatics using the linearized Poisson–Boltzmann equation. Motivating this implementation is the desire to create a solver capable of precisely describing the geometries and topologies prevalent in continuum models of biological molecules. This implementation is enabled by the synthesis of four technologies developed or implemented specifically for this work. First, molecular and accessible surfaces used to describe dielectric and ion-exclusion boundaries were discretized with curved boundary elements that faithfully reproduce molecular geometries. Second, we avoided explicitly forming the dense BEM matrices and instead solved the linear systems with a preconditioned iterative method (GMRES), using a matrix compression algorithm (FFTSVD) to accelerate matrix-vector multiplication. Third, robust numerical integration methods were employed to accurately evaluate singular and near-singular integrals over the curved boundary elements. Finally, we present a general boundary-integral approach capable of modeling an arbitrary number of embedded homogeneous dielectric regions with differing dielectric constants, possible salt treatment, and point charges. A comparison of the presented BEM implementation and standard finite-difference techniques demonstrates that for certain classes of electrostatic calculations, such as determining absolute electrostatic solvation and rigid-binding free energies, the improved convergence properties of the BEM approach can have a significant impact on computed energetics. We also demonstrate that the improved accuracy offered by the curved-element BEM is important when more sophisticated techniques, such as non-rigid-binding models, are used to compute the relative electrostatic effects of molecular modifications. In addition, we show that electrostatic calculations requiring multiple solves using the same molecular geometry, such as charge optimization or component analysis, can be computed to high accuracy using the presented BEM approach, in compute times comparable to traditional finite-difference methods. PMID:18567005

On 3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Chen, P. C.; Dame, L. T.; Holt, R. V.; Huang, H.; Hartle, M.; Gellin, S.; Allen, D. H.; Haisler, W. E.

1986-01-01

Accomplishments are described for the 2-year program, to develop advanced 3-D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades and vanes. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulations models were developed; an eight-noded mid-surface shell element, a nine-noded mid-surface shell element and a twenty-noded isoparametric solid element. A separate computer program was developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

The 3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Maffeo, R. J.; Tipton, M. T.; Weber, G.

1992-01-01

A two-year program to develop advanced 3D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades, and vanes is described. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulation models were developed: an eight-noded midsurface shell element; a nine-noded midsurface shell element; and a twenty-noded isoparametric solid element. A separate computer program has been developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.