Molecular dynamics study of salt–solution interface: Solubility and surface charge of salt in water

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

Kobayashi, Kazuya; Liang, Yunfeng, E-mail: y-liang@earth.kumst.kyoto-u.ac.jp, E-mail: matsuoka@earth.kumst.kyoto-u.ac.jp; Matsuoka, Toshifumi, E-mail: y-liang@earth.kumst.kyoto-u.ac.jp, E-mail: matsuoka@earth.kumst.kyoto-u.ac.jp

2014-04-14

The NaCl salt–solution interface often serves as an example of an uncharged surface. However, recent laser-Doppler electrophoresis has shown some evidence that the NaCl crystal is positively charged in its saturated solution. Using molecular dynamics (MD) simulations, we have investigated the NaCl salt–solution interface system, and calculated the solubility of the salt using the direct method and free energy calculations, which are kinetic and thermodynamic approaches, respectively. The direct method calculation uses a salt–solution combined system. When the system is equilibrated, the concentration in the solution area is the solubility. In the free energy calculation, we separately calculate the chemicalmore » potential of NaCl in two systems, the solid and the solution, using thermodynamic integration with MD simulations. When the chemical potential of NaCl in the solution phase is equal to the chemical potential of the solid phase, the concentration of the solution system is the solubility. The advantage of using two different methods is that the computational methods can be mutually verified. We found that a relatively good estimate of the solubility of the system can be obtained through comparison of the two methods. Furthermore, we found using microsecond time-scale MD simulations that the positively charged NaCl surface was induced by a combination of a sodium-rich surface and the orientation of the interfacial water molecules.« less

A new time domain random walk method for solute transport in 1-D heterogeneous media

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

Banton, O.; Delay, F.; Porel, G.

A new method to simulate solute transport in 1-D heterogeneous media is presented. This time domain random walk method (TDRW), similar in concept to the classical random walk method, calculates the arrival time of a particle cloud at a given location (directly providing the solute breakthrough curve). The main advantage of the method is that the restrictions on the space increments and the time steps which exist with the finite differences and random walk methods are avoided. In a homogeneous zone, the breakthrough curve (BTC) can be calculated directly at a given distance using a few hundred particles or directlymore » at the boundary of the zone. Comparisons with analytical solutions and with the classical random walk method show the reliability of this method. The velocity and dispersivity calculated from the simulated results agree within two percent with the values used as input in the model. For contrasted heterogeneous media, the random walk can generate high numerical dispersion, while the time domain approach does not.« less

Low-temperature metal-oxide thin-film transistors formed by directly photopatternable and combustible solution synthesis.

PubMed

Rim, You Seung; Lim, Hyun Soo; Kim, Hyun Jae

2013-05-01

We investigated the formation of ultraviolet (UV)-assisted directly patternable solution-processed oxide semiconductor films and successfully fabricated thin-film transistors (TFTs) based on these films. An InGaZnO (IGZO) solution that was modified chemically with benzoylacetone (BzAc), whose chelate rings decomposed via a π-π* transition as result of UV irradiation, was used for the direct patterning. A TFT was fabricated using the directly patterned IGZO film, and it had better electrical characteristics than those of conventional photoresist (PR)-patterned TFTs. In addition, the nitric acid (HNO3) and acetylacetone (AcAc) modified In2O3 (NAc-In2O3) solution exhibited both strong UV absorption and high exothermic reaction. This method not only resulted in the formation of a low-energy path because of the combustion of the chemically modified metal-oxide solution but also allowed for photoreaction-induced direct patterning at low temperatures.

Method for liquid chromatographic extraction of strontium from acid solutions

DOEpatents

Horwitz, E. Philip; Dietz, Mark L.

1992-01-01

A method and apparatus for extracting strontium and technetium values from biological, industrial and environmental sample solutions using a chromatographic column is described. An extractant medium for the column is prepared by generating a solution of a diluent containing a Crown ether and dispersing the solution on a resin substrate material. The sample solution is highly acidic and is introduced directed to the chromatographic column and strontium or technetium is eluted using deionized water.

Accuracy of AFM force distance curves via direct solution of the Euler-Bernoulli equation

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

Eppell, Steven J., E-mail: steven.eppell@case.edu; Liu, Yehe; Zypman, Fredy R.

2016-03-15

In an effort to improve the accuracy of force-separation curves obtained from atomic force microscope data, we compare force-separation curves computed using two methods to solve the Euler-Bernoulli equation. A recently introduced method using a direct sequential forward solution, Causal Time-Domain Analysis, is compared against a previously introduced Tikhonov Regularization method. Using the direct solution as a benchmark, it is found that the regularization technique is unable to reproduce accurate curve shapes. Using L-curve analysis and adjusting the regularization parameter, λ, to match either the depth or the full width at half maximum of the force curves, the two techniquesmore » are contrasted. Matched depths result in full width at half maxima that are off by an average of 27% and matched full width at half maxima produce depths that are off by an average of 109%.« 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.

Applications of He's semi-inverse method, ITEM and GGM to the Davey-Stewartson equation

NASA Astrophysics Data System (ADS)

Zinati, Reza Farshbaf; Manafian, Jalil

2017-04-01

We investigate the Davey-Stewartson (DS) equation. Travelling wave solutions were found. In this paper, we demonstrate the effectiveness of the analytical methods, namely, He's semi-inverse variational principle method (SIVPM), the improved tan(φ/2)-expansion method (ITEM) and generalized G'/G-expansion method (GGM) for seeking more exact solutions via the DS equation. These methods are direct, concise and simple to implement compared to other existing methods. The exact solutions containing four types solutions have been achieved. The results demonstrate that the aforementioned methods are more efficient than the Ansatz method applied by Mirzazadeh (2015). Abundant exact travelling wave solutions including solitons, kink, periodic and rational solutions have been found by the improved tan(φ/2)-expansion and generalized G'/G-expansion methods. By He's semi-inverse variational principle we have obtained dark and bright soliton wave solutions. Also, the obtained semi-inverse variational principle has profound implications in physical understandings. These solutions might play important role in engineering and physics fields. Moreover, by using Matlab, some graphical simulations were done to see the behavior of these solutions.

Direct spectrophotometric method for analysis of food supplements containing synthetic polyhydroquinones

NASA Astrophysics Data System (ADS)

Vasilevsky, A. M.; Konoplev, G. A.; Stepanova, O. S.; Toropov, D. K.; Zagorsky, A. L.

2016-04-01

A novel direct spectrophotometric method for quantitative determination of Oxiphore® drug substance (synthetic polyhydroquinone complex) in food supplements is developed. Absorption spectra of Oxiphore® water solutions in the ultraviolet region are presented. Samples preparation procedures and mathematical methods of spectra post-analytical procession are discussed. Basic characteristics of the automatic CCD-based UV spectrophotometer and special software implementing the developed method are described. The results of the trials of the developed method and software are analyzed: the error of determination for Oxiphore® concentration in water solutions of the isolated substance and singlecomponent food supplements did not exceed 15% (average error was 7…10%).

On method of solving third-order ordinary differential equations directly using Bernstein polynomials

NASA Astrophysics Data System (ADS)

Khataybeh, S. N.; Hashim, I.

2018-04-01

In this paper, we propose for the first time a method based on Bernstein polynomials for solving directly a class of third-order ordinary differential equations (ODEs). This method gives a numerical solution by converting the equation into a system of algebraic equations which is solved directly. Some numerical examples are given to show the applicability of the method.

Singular boundary method for global gravity field modelling

NASA Astrophysics Data System (ADS)

Cunderlik, Robert

2014-05-01

The singular boundary method (SBM) and method of fundamental solutions (MFS) are meshless boundary collocation techniques that use the fundamental solution of a governing partial differential equation (e.g. the Laplace equation) as their basis functions. They have been developed to avoid singular numerical integration as well as mesh generation in the traditional boundary element method (BEM). SBM have been proposed to overcome a main drawback of MFS - its controversial fictitious boundary outside the domain. The key idea of SBM is to introduce a concept of the origin intensity factors that isolate singularities of the fundamental solution and its derivatives using some appropriate regularization techniques. Consequently, the source points can be placed directly on the real boundary and coincide with the collocation nodes. In this study we deal with SBM applied for high-resolution global gravity field modelling. The first numerical experiment presents a numerical solution to the fixed gravimetric boundary value problem. The achieved results are compared with the numerical solutions obtained by MFS or the direct BEM indicating efficiency of all methods. In the second numerical experiments, SBM is used to derive the geopotential and its first derivatives from the Tzz components of the gravity disturbing tensor observed by the GOCE satellite mission. A determination of the origin intensity factors allows to evaluate the disturbing potential and gravity disturbances directly on the Earth's surface where the source points are located. To achieve high-resolution numerical solutions, the large-scale parallel computations are performed on the cluster with 1TB of the distributed memory and an iterative elimination of far zones' contributions is applied.

Controllable reductive method for synthesizing metal-containing particles

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

Moon, Ji-Won; Jung, Hyunsung; Phelps, Tommy Joe

The invention is directed to a method for producing metal-containing particles, the method comprising subjecting an aqueous solution comprising a metal salt, E.sub.h, lowering reducing agent, pH adjusting agent, and water to conditions that maintain the E.sub.h value of the solution within the bounds of an E.sub.h-pH stability field corresponding to the composition of the metal-containing particles to be produced, and producing said metal-containing particles in said aqueous solution at a selected E.sub.h value within the bounds of said E.sub.h-pH stability field. The invention is also directed to the resulting metal-containing particles as well as devices in which they aremore » incorporated.« less

Compositions comprising free-standing two-dimensional nanocrystals

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

Barsoum, Michel W.; Gogotsi, Yury; Abdelmalak, Michael Naguib

2017-12-05

The present invention is directed to methods of transferring urea from an aqueous solution comprising urea to a MXene composition, the method comprising contacting the aqueous solution comprising urea with the MXene composition for a time sufficient to form an intercalated MXene composition comprising urea.

Analytic study of solutions for a (3 + 1) -dimensional generalized KP equation

NASA Astrophysics Data System (ADS)

Gao, Hui; Cheng, Wenguang; Xu, Tianzhou; Wang, Gangwei

2018-03-01

The (3 + 1) -dimensional generalized KP (gKP) equation is an important nonlinear partial differential equation in theoretical and mathematical physics which can be used to describe nonlinear wave motion. Through the Hirota bilinear method, one-solition, two-solition and N-solition solutions are derived via symbolic computation. Two classes of lump solutions, rationally localized in all directions in space, to the dimensionally reduced cases in (2 + 1)-dimensions, are constructed by using a direct method based on the Hirota bilinear form of the equation. It implies that we can derive the lump solutions of the reduced gKP equation from positive quadratic function solutions to the aforementioned bilinear equation. Meanwhile, we get interaction solutions between a lump and a kink of the gKP equation. The lump appears from a kink and is swallowed by it with the change of time. This work offers a possibility which can enrich the variety of the dynamical features of solutions for higher-dimensional nonlinear evolution equations.

Khater method for nonlinear Sharma Tasso-Olever (STO) equation of fractional order

NASA Astrophysics Data System (ADS)

Bibi, Sadaf; Mohyud-Din, Syed Tauseef; Khan, Umar; Ahmed, Naveed

In this work, we have implemented a direct method, known as Khater method to establish exact solutions of nonlinear partial differential equations of fractional order. Number of solutions provided by this method is greater than other traditional methods. Exact solutions of nonlinear fractional order Sharma Tasso-Olever (STO) equation are expressed in terms of kink, travelling wave, periodic and solitary wave solutions. Modified Riemann-Liouville derivative and Fractional complex transform have been used for compatibility with fractional order sense. Solutions have been graphically simulated for understanding the physical aspects and importance of the method. A comparative discussion between our established results and the results obtained by existing ones is also presented. Our results clearly reveal that the proposed method is an effective, powerful and straightforward technique to work out new solutions of various types of differential equations of non-integer order in the fields of applied sciences and engineering.

Tensor-product preconditioners for higher-order space-time discontinuous Galerkin methods

NASA Astrophysics Data System (ADS)

Diosady, Laslo T.; Murman, Scott M.

2017-02-01

A space-time discontinuous-Galerkin spectral-element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equations. An efficient solution technique based on a matrix-free Newton-Krylov method is developed in order to overcome the stiffness associated with high solution order. The use of tensor-product basis functions is key to maintaining efficiency at high-order. Efficient preconditioning methods are presented which can take advantage of the tensor-product formulation. A diagonalized Alternating-Direction-Implicit (ADI) scheme is extended to the space-time discontinuous Galerkin discretization. A new preconditioner for the compressible Euler/Navier-Stokes equations based on the fast-diagonalization method is also presented. Numerical results demonstrate the effectiveness of these preconditioners for the direct numerical simulation of subsonic turbulent flows.

Tensor-Product Preconditioners for Higher-Order Space-Time Discontinuous Galerkin Methods

NASA Technical Reports Server (NTRS)

Diosady, Laslo T.; Murman, Scott M.

2016-01-01

space-time discontinuous-Galerkin spectral-element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equat ions. An efficient solution technique based on a matrix-free Newton-Krylov method is developed in order to overcome the stiffness associated with high solution order. The use of tensor-product basis functions is key to maintaining efficiency at high order. Efficient preconditioning methods are presented which can take advantage of the tensor-product formulation. A diagonalized Alternating-Direction-Implicit (ADI) scheme is extended to the space-time discontinuous Galerkin discretization. A new preconditioner for the compressible Euler/Navier-Stokes equations based on the fast-diagonalization method is also presented. Numerical results demonstrate the effectiveness of these preconditioners for the direct numerical simulation of subsonic turbulent flows.

Numerical solution methods for viscoelastic orthotropic materials

NASA Technical Reports Server (NTRS)

Gramoll, K. C.; Dillard, D. A.; Brinson, H. F.

1988-01-01

Numerical solution methods for viscoelastic orthotropic materials, specifically fiber reinforced composite materials, are examined. The methods include classical lamination theory using time increments, direction solution of the Volterra Integral, Zienkiewicz's linear Prony series method, and a new method called Nonlinear Differential Equation Method (NDEM) which uses a nonlinear Prony series. The criteria used for comparison of the various methods include the stability of the solution technique, time step size stability, computer solution time length, and computer memory storage. The Volterra Integral allowed the implementation of higher order solution techniques but had difficulties solving singular and weakly singular compliance function. The Zienkiewicz solution technique, which requires the viscoelastic response to be modeled by a Prony series, works well for linear viscoelastic isotropic materials and small time steps. The new method, NDEM, uses a modified Prony series which allows nonlinear stress effects to be included and can be used with orthotropic nonlinear viscoelastic materials. The NDEM technique is shown to be accurate and stable for both linear and nonlinear conditions with minimal computer time.

Accelerating the weighted histogram analysis method by direct inversion in the iterative subspace.

PubMed

Zhang, Cheng; Lai, Chun-Liang; Pettitt, B Montgomery

The weighted histogram analysis method (WHAM) for free energy calculations is a valuable tool to produce free energy differences with the minimal errors. Given multiple simulations, WHAM obtains from the distribution overlaps the optimal statistical estimator of the density of states, from which the free energy differences can be computed. The WHAM equations are often solved by an iterative procedure. In this work, we use a well-known linear algebra algorithm which allows for more rapid convergence to the solution. We find that the computational complexity of the iterative solution to WHAM and the closely-related multiple Bennett acceptance ratio (MBAR) method can be improved by using the method of direct inversion in the iterative subspace. We give examples from a lattice model, a simple liquid and an aqueous protein solution.

Application of the principal fractional meta-trigonometric functions for the solution of linear commensurate-order time-invariant fractional differential equations.

PubMed

Lorenzo, C F; Hartley, T T; Malti, R

2013-05-13

A new and simplified method for the solution of linear constant coefficient fractional differential equations of any commensurate order is presented. The solutions are based on the R-function and on specialized Laplace transform pairs derived from the principal fractional meta-trigonometric functions. The new method simplifies the solution of such fractional differential equations and presents the solutions in the form of real functions as opposed to fractional complex exponential functions, and thus is directly applicable to real-world physics.

Direct Solve of Electrically Large Integral Equations for Problem Sizes to 1M Unknowns

NASA Technical Reports Server (NTRS)

Shaeffer, John

2008-01-01

Matrix methods for solving integral equations via direct solve LU factorization are presently limited to weeks to months of very expensive supercomputer time for problems sizes of several hundred thousand unknowns. This report presents matrix LU factor solutions for electromagnetic scattering problems for problem sizes to one million unknowns with thousands of right hand sides that run in mere days on PC level hardware. This EM solution is accomplished by utilizing the numerical low rank nature of spatially blocked unknowns using the Adaptive Cross Approximation for compressing the rank deficient blocks of the system Z matrix, the L and U factors, the right hand side forcing function and the final current solution. This compressed matrix solution is applied to a frequency domain EM solution of Maxwell's equations using standard Method of Moments approach. Compressed matrix storage and operations count leads to orders of magnitude reduction in memory and run time.

THE DEVELOPMENT OF IODINE BASED IMPINGER SOLUTIONS FOR THE EFFICIENT CAPTURE OF HG USING DIRECT INJECTION NEBULIZATION - INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRY ANALYSIS

EPA Science Inventory

Inductively coupled plasma mass spectrometry (ICP/MS) with direct injection nebulization (DIN) was used to evaluate novel impinger solution compositions capable of capturing elemental mercury (Hgo) in EPA Method 5 type sampling. An iodine based impinger solutoin proved to be ver...

Subharmonic Solutions of Order One-Third

ERIC Educational Resources Information Center

Fay, Temple H.

2005-01-01

Finding a periodic solution to a nonlinear ordinary differential equation is in general a difficult task. Only in a very few cases can direct methods be applied to an equation to find initial values leading to a solution of the corresponding initial value problem that is periodic. Oscillatory periodic solutions have such practical importance that…

The solution of linear systems of equations with a structural analysis code on the NAS CRAY-2

NASA Technical Reports Server (NTRS)

Poole, Eugene L.; Overman, Andrea L.

1988-01-01

Two methods for solving linear systems of equations on the NAS Cray-2 are described. One is a direct method; the other is an iterative method. Both methods exploit the architecture of the Cray-2, particularly the vectorization, and are aimed at structural analysis applications. To demonstrate and evaluate the methods, they were installed in a finite element structural analysis code denoted the Computational Structural Mechanics (CSM) Testbed. A description of the techniques used to integrate the two solvers into the Testbed is given. Storage schemes, memory requirements, operation counts, and reformatting procedures are discussed. Finally, results from the new methods are compared with results from the initial Testbed sparse Choleski equation solver for three structural analysis problems. The new direct solvers described achieve the highest computational rates of the methods compared. The new iterative methods are not able to achieve as high computation rates as the vectorized direct solvers but are best for well conditioned problems which require fewer iterations to converge to the solution.

Numerical solution of a coupled pair of elliptic equations from solid state electronics

NASA Technical Reports Server (NTRS)

Phillips, T. N.

1983-01-01

Iterative methods are considered for the solution of a coupled pair of second order elliptic partial differential equations which arise in the field of solid state electronics. A finite difference scheme is used which retains the conservative form of the differential equations. Numerical solutions are obtained in two ways, by multigrid and dynamic alternating direction implicit methods. Numerical results are presented which show the multigrid method to be an efficient way of solving this problem.

A Chebyshev Collocation Method for Moving Boundaries, Heat Transfer, and Convection During Directional Solidification

NASA Technical Reports Server (NTRS)

Zhang, Yiqiang; Alexander, J. I. D.; Ouazzani, J.

1994-01-01

Free and moving boundary problems require the simultaneous solution of unknown field variables and the boundaries of the domains on which these variables are defined. There are many technologically important processes that lead to moving boundary problems associated with fluid surfaces and solid-fluid boundaries. These include crystal growth, metal alloy and glass solidification, melting and name propagation. The directional solidification of semi-conductor crystals by the Bridgman-Stockbarger method is a typical example of such a complex process. A numerical model of this growth method must solve the appropriate heat, mass and momentum transfer equations and determine the location of the melt-solid interface. In this work, a Chebyshev pseudospectra collocation method is adapted to the problem of directional solidification. Implementation involves a solution algorithm that combines domain decomposition, finite-difference preconditioned conjugate minimum residual method and a Picard type iterative scheme.

21 CFR 114.80 - Processes and controls.

Code of Federal Regulations, 2014 CFR

2014-04-01

... food ingredients in acidified aqueous solutions. (ii) Immersion of the blanched food in acid solutions. Although immersion of food in an acid solution is a satisfactory method for acidification, care must be taken to ensure that the acid concentration is properly maintained. (iii) Direct batch acidification...

21 CFR 114.80 - Processes and controls.

Code of Federal Regulations, 2011 CFR

2011-04-01

... food ingredients in acidified aqueous solutions. (ii) Immersion of the blanched food in acid solutions. Although immersion of food in an acid solution is a satisfactory method for acidification, care must be taken to ensure that the acid concentration is properly maintained. (iii) Direct batch acidification...

21 CFR 114.80 - Processes and controls.

Code of Federal Regulations, 2012 CFR

2012-04-01

... food ingredients in acidified aqueous solutions. (ii) Immersion of the blanched food in acid solutions. Although immersion of food in an acid solution is a satisfactory method for acidification, care must be taken to ensure that the acid concentration is properly maintained. (iii) Direct batch acidification...

21 CFR 114.80 - Processes and controls.

Code of Federal Regulations, 2013 CFR

2013-04-01

... food ingredients in acidified aqueous solutions. (ii) Immersion of the blanched food in acid solutions. Although immersion of food in an acid solution is a satisfactory method for acidification, care must be taken to ensure that the acid concentration is properly maintained. (iii) Direct batch acidification...

Promoting Students' Self-Directed Learning Ability through Teaching Mathematics for Social Justice

ERIC Educational Resources Information Center

Voss, Richard; Rickards, Tony

2016-01-01

Mathematics is a subject which is often taught using abstract methods and processes. These methods by their very nature may for students alienate the relationship between Mathematics and real life situations. Further, these abstract methods and processes may disenfranchise students from becoming self-directed learners of Mathematics. A solution to…

On the Formulation of Weakly Singular Displacement/Traction Integral Equations; and Their Solution by the MLPG Method

NASA Technical Reports Server (NTRS)

Atluri, Satya N.; Shen, Shengping

2002-01-01

In this paper, a very simple method is used to derive the weakly singular traction boundary integral equation based on the integral relationships for displacement gradients. The concept of the MLPG method is employed to solve the integral equations, especially those arising in solid mechanics. A moving Least Squares (MLS) interpolation is selected to approximate the trial functions in this paper. Five boundary integral Solution methods are introduced: direct solution method; displacement boundary-value problem; traction boundary-value problem; mixed boundary-value problem; and boundary variational principle. Based on the local weak form of the BIE, four different nodal-based local test functions are selected, leading to four different MLPG methods for each BIE solution method. These methods combine the advantages of the MLPG method and the boundary element method.

Boundary-integral methods in elasticity and plasticity. [solutions of boundary value problems

NASA Technical Reports Server (NTRS)

Mendelson, A.

1973-01-01

Recently developed methods that use boundary-integral equations applied to elastic and elastoplastic boundary value problems are reviewed. Direct, indirect, and semidirect methods using potential functions, stress functions, and displacement functions are described. Examples of the use of these methods for torsion problems, plane problems, and three-dimensional problems are given. It is concluded that the boundary-integral methods represent a powerful tool for the solution of elastic and elastoplastic problems.

Rapid computation of directional wellbore drawdown in a confined aquifer via Poisson resummation

NASA Astrophysics Data System (ADS)

Blumenthal, Benjamin J.; Zhan, Hongbin

2016-08-01

We have derived a rapidly computed analytical solution for drawdown caused by a partially or fully penetrating directional wellbore (vertical, horizontal, or slant) via Green's function method. The mathematical model assumes an anisotropic, homogeneous, confined, box-shaped aquifer. Any dimension of the box can have one of six possible boundary conditions: 1) both sides no-flux; 2) one side no-flux - one side constant-head; 3) both sides constant-head; 4) one side no-flux; 5) one side constant-head; 6) free boundary conditions. The solution has been optimized for rapid computation via Poisson Resummation, derivation of convergence rates, and numerical optimization of integration techniques. Upon application of the Poisson Resummation method, we were able to derive two sets of solutions with inverse convergence rates, namely an early-time rapidly convergent series (solution-A) and a late-time rapidly convergent series (solution-B). From this work we were able to link Green's function method (solution-B) back to image well theory (solution-A). We then derived an equation defining when the convergence rate between solution-A and solution-B is the same, which we termed the switch time. Utilizing the more rapidly convergent solution at the appropriate time, we obtained rapid convergence at all times. We have also shown that one may simplify each of the three infinite series for the three-dimensional solution to 11 terms and still maintain a maximum relative error of less than 10-14.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: Application to solvatochromic shift calculations

NASA Astrophysics Data System (ADS)

Minezawa, Noriyuki; Kato, Shigeki

2007-02-01

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.

PubMed

Minezawa, Noriyuki; Kato, Shigeki

2007-02-07

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Ranked solutions to a class of combinatorial optimizations—with applications in mass spectrometry based peptide sequencing and a variant of directed paths in random media

NASA Astrophysics Data System (ADS)

Doerr, Timothy P.; Alves, Gelio; Yu, Yi-Kuo

2005-08-01

Typical combinatorial optimizations are NP-hard; however, for a particular class of cost functions the corresponding combinatorial optimizations can be solved in polynomial time using the transfer matrix technique or, equivalently, the dynamic programming approach. This suggests a way to efficiently find approximate solutions-find a transformation that makes the cost function as similar as possible to that of the solvable class. After keeping many high-ranking solutions using the approximate cost function, one may then re-assess these solutions with the full cost function to find the best approximate solution. Under this approach, it is important to be able to assess the quality of the solutions obtained, e.g., by finding the true ranking of the kth best approximate solution when all possible solutions are considered exhaustively. To tackle this statistical issue, we provide a systematic method starting with a scaling function generated from the finite number of high-ranking solutions followed by a convergent iterative mapping. This method, useful in a variant of the directed paths in random media problem proposed here, can also provide a statistical significance assessment for one of the most important proteomic tasks-peptide sequencing using tandem mass spectrometry data. For directed paths in random media, the scaling function depends on the particular realization of randomness; in the mass spectrometry case, the scaling function is spectrum-specific.

One-step synthesis of mesoporous pentasil zeolite with single-unit-cell lamellar structural features

DOEpatents

Tsapstsis, Michael; Zhang, Xueyi

2015-11-17

A method for making a pentasil zeolite material includes forming an aqueous solution that includes a structure directing agent and a silica precursor; and heating the solution at a sufficient temperature and for sufficient time to form a pentasil zeolite material from the silica precursor, wherein the structure directing agent includes a quaternary phosphonium ion.

Solution of a Complex Least Squares Problem with Constrained Phase.

PubMed

Bydder, Mark

2010-12-30

The least squares solution of a complex linear equation is in general a complex vector with independent real and imaginary parts. In certain applications in magnetic resonance imaging, a solution is desired such that each element has the same phase. A direct method for obtaining the least squares solution to the phase constrained problem is described.

Integration of electrical resistivity imaging and ground penetrating radar to investigate solution features in the Biscayne Aquifer

NASA Astrophysics Data System (ADS)

Yeboah-Forson, Albert; Comas, Xavier; Whitman, Dean

2014-07-01

The limestone composing the Biscayne Aquifer in southeast Florida is characterized by cavities and solution features that are difficult to detect and quantify accurately because of their heterogeneous spatial distribution. Such heterogeneities have been shown by previous studies to exert a strong influence in the direction of groundwater flow. In this study we use an integrated array of geophysical methods to detect the lateral extent and distribution of solution features as indicative of anisotropy in the Biscayne Aquifer. Geophysical methods included azimuthal resistivity measurements, electrical resistivity imaging (ERI) and ground penetrating radar (GPR) and were constrained with direct borehole information from nearby wells. The geophysical measurements suggest the presence of a zone of low electrical resistivity (from ERI) and low electromagnetic wave velocity (from GPR) below the water table at depths of 4-9 m that corresponds to the depth of solution conduits seen in digital borehole images. Azimuthal electrical measurements at the site reported coefficients of electrical anisotropy as high as 1.36 suggesting the presence of an area of high porosity (most likely comprising different types of porosity) oriented in the E-W direction. This study shows how integrated geophysical methods can help detect the presence of areas of enhanced porosity which may influence the direction of groundwater flow in a complex anisotropic and heterogeneous karst system like the Biscayne Aquifer.

A graph decomposition-based approach for water distribution network optimization

NASA Astrophysics Data System (ADS)

Zheng, Feifei; Simpson, Angus R.; Zecchin, Aaron C.; Deuerlein, Jochen W.

2013-04-01

A novel optimization approach for water distribution network design is proposed in this paper. Using graph theory algorithms, a full water network is first decomposed into different subnetworks based on the connectivity of the network's components. The original whole network is simplified to a directed augmented tree, in which the subnetworks are substituted by augmented nodes and directed links are created to connect them. Differential evolution (DE) is then employed to optimize each subnetwork based on the sequence specified by the assigned directed links in the augmented tree. Rather than optimizing the original network as a whole, the subnetworks are sequentially optimized by the DE algorithm. A solution choice table is established for each subnetwork (except for the subnetwork that includes a supply node) and the optimal solution of the original whole network is finally obtained by use of the solution choice tables. Furthermore, a preconditioning algorithm is applied to the subnetworks to produce an approximately optimal solution for the original whole network. This solution specifies promising regions for the final optimization algorithm to further optimize the subnetworks. Five water network case studies are used to demonstrate the effectiveness of the proposed optimization method. A standard DE algorithm (SDE) and a genetic algorithm (GA) are applied to each case study without network decomposition to enable a comparison with the proposed method. The results show that the proposed method consistently outperforms the SDE and GA (both with tuned parameters) in terms of both the solution quality and efficiency.

Phases, periphases, and interphases equilibrium by molecular modeling. I. Mass equilibrium by the semianalytical stochastic perturbations method and application to a solution between (120) gypsum faces

NASA Astrophysics Data System (ADS)

Pedesseau, Laurent; Jouanna, Paul

2004-12-01

The SASP (semianalytical stochastic perturbations) method is an original mixed macro-nano-approach dedicated to the mass equilibrium of multispecies phases, periphases, and interphases. This general method, applied here to the reflexive relation Ck⇔μk between the concentrations Ck and the chemical potentials μk of k species within a fluid in equilibrium, leads to the distribution of the particles at the atomic scale. The macroaspects of the method, based on analytical Taylor's developments of chemical potentials, are intimately mixed with the nanoaspects of molecular mechanics computations on stochastically perturbed states. This numerical approach, directly linked to definitions, is universal by comparison with current approaches, DLVO Derjaguin-Landau-Verwey-Overbeek, grand canonical Monte Carlo, etc., without any restriction on the number of species, concentrations, or boundary conditions. The determination of the relation Ck⇔μk implies in fact two problems: a direct problem Ck⇒μk and an inverse problem μk⇒Ck. Validation of the method is demonstrated in case studies A and B which treat, respectively, a direct problem and an inverse problem within a free saturated gypsum solution. The flexibility of the method is illustrated in case study C dealing with an inverse problem within a solution interphase, confined between two (120) gypsum faces, remaining in connection with a reference solution. This last inverse problem leads to the mass equilibrium of ions and water molecules within a 3 Å thick gypsum interface. The major unexpected observation is the repulsion of SO42- ions towards the reference solution and the attraction of Ca2+ ions from the reference solution, the concentration being 50 times higher within the interphase as compared to the free solution. The SASP method is today the unique approach able to tackle the simulation of the number and distribution of ions plus water molecules in such extreme confined conditions. This result is of prime importance for all coupled chemical-mechanical problems dealing with interfaces, and more generally for a wide variety of applications such as phase changes, osmotic equilibrium, surface energy, etc., in complex chemical-physics situations.

Direct SQP-methods for solving optimal control problems with delays

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

Goellmann, L.; Bueskens, C.; Maurer, H.

The maximum principle for optimal control problems with delays leads to a boundary value problem (BVP) which is retarded in the state and advanced in the costate function. Based on shooting techniques, solution methods for this type of BVP have been proposed. In recent years, direct optimization methods have been favored for solving control problems without delays. Direct methods approximate the control and the state over a fixed mesh and solve the resulting NLP-problem with SQP-methods. These methods dispense with the costate function and have shown to be robust and efficient. In this paper, we propose a direct SQP-method formore » retarded control problems. In contrast to conventional direct methods, only the control variable is approximated by e.g. spline-functions. The state is computed via a high order Runge-Kutta type algorithm and does not enter explicitly the NLP-problem through an equation. This approach reduces the number of optimization variables considerably and is implementable even on a PC. Our method is illustrated by the numerical solution of retarded control problems with constraints. In particular, we consider the control of a continuous stirred tank reactor which has been solved by dynamic programming. This example illustrates the robustness and efficiency of the proposed method. Open questions concerning sufficient conditions and convergence of discretized NLP-problems are discussed.« less

Structure analysis of polymerized phospholipid bilayer by TED and direct methods.

PubMed

Stevens, M; Longo, M; Dorset, D L; Spence, J

2002-04-01

This paper describes the use of elastic energy filtered transmission electron diffraction combined with Direct Methods in order to study the structure of thin Langmuir-Blodgett films of a radiation sensitive diacetylene polymer (DC8.9PC). We obtain a potential map for one projection by direct phasing of zone axis patterns, and discuss experimental problems and possible solutions.

A three-dimensional parabolic equation model of sound propagation using higher-order operator splitting and Padé approximants.

PubMed

Lin, Ying-Tsong; Collis, Jon M; Duda, Timothy F

2012-11-01

An alternating direction implicit (ADI) three-dimensional fluid parabolic equation solution method with enhanced accuracy is presented. The method uses a square-root Helmholtz operator splitting algorithm that retains cross-multiplied operator terms that have been previously neglected. With these higher-order cross terms, the valid angular range of the parabolic equation solution is improved. The method is tested for accuracy against an image solution in an idealized wedge problem. Computational efficiency improvements resulting from the ADI discretization are also discussed.

Quasideterminant solutions of the extended noncommutative Kadomtsev-Petviashvili hierarchy

NASA Astrophysics Data System (ADS)

Wu, Hongxia; Liu, Jingxin; Li, Chunxia

2017-07-01

We construct a nonauto Darboux transformation for the extended noncommutative Kadomtsev-Petviashvili (ncKP) hierarchy and consequently derive its quasi-Wronskian solution. We also obtain the quasi-Wronskian solution of the ncKP equation with self-consistent sources (ncKPESCS) as a by-product. Finally, we use the direct verification method to prove the quasi-Wronskian solution of the ncKPESCS.

Nonlocal electron transport: direct and Greens function solution and comparison of our model with the SNB model

NASA Astrophysics Data System (ADS)

Colombant, Denis; Manheimer, Wallace; Schmitt, Andrew J.

2013-10-01

At least two models, ours and SNB (Schurtz-Nicolai-Busquet), and two methods of solution, direct numerical solution (DS) and Greens function (GF) are being used in multi-dimensional radiation hydrodynamics codes. We present results of a laser target implosion using both methods of solution. Although our model and SNB differ in some physical content, direct comparisons have been non-existent up to now. However a paper by Marocchino et al. has recently presented the results of two nanosecond-time-scale test problems, showing that the preheat calculated by the two models are different by about three orders of magnitude. We have rerun these problems and we find much less difference between the two than they do. One can show analytically that the results should be quite similar and are about an order of magnitude less than the maximum, and two orders of magnitude more than the minimum preheating in. We have been able to trace the somewhat different results back to the different physical assumptions made in each model. Work supported by DoE-NNSA and ONR.

Accelerated solution of discrete ordinates approximation to the Boltzmann transport equation via model reduction

DOE PAGES

Tencer, John; Carlberg, Kevin; Larsen, Marvin; ...

2017-06-17

Radiation heat transfer is an important phenomenon in many physical systems of practical interest. When participating media is important, the radiative transfer equation (RTE) must be solved for the radiative intensity as a function of location, time, direction, and wavelength. In many heat-transfer applications, a quasi-steady assumption is valid, thereby removing time dependence. The dependence on wavelength is often treated through a weighted sum of gray gases (WSGG) approach. The discrete ordinates method (DOM) is one of the most common methods for approximating the angular (i.e., directional) dependence. The DOM exactly solves for the radiative intensity for a finite numbermore » of discrete ordinate directions and computes approximations to integrals over the angular space using a quadrature rule; the chosen ordinate directions correspond to the nodes of this quadrature rule. This paper applies a projection-based model-reduction approach to make high-order quadrature computationally feasible for the DOM for purely absorbing applications. First, the proposed approach constructs a reduced basis from (high-fidelity) solutions of the radiative intensity computed at a relatively small number of ordinate directions. Then, the method computes inexpensive approximations of the radiative intensity at the (remaining) quadrature points of a high-order quadrature using a reduced-order model constructed from the reduced basis. Finally, this results in a much more accurate solution than might have been achieved using only the ordinate directions used to compute the reduced basis. One- and three-dimensional test problems highlight the efficiency of the proposed method.« less

Accelerated solution of discrete ordinates approximation to the Boltzmann transport equation via model reduction

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

Tencer, John; Carlberg, Kevin; Larsen, Marvin

Radiation heat transfer is an important phenomenon in many physical systems of practical interest. When participating media is important, the radiative transfer equation (RTE) must be solved for the radiative intensity as a function of location, time, direction, and wavelength. In many heat-transfer applications, a quasi-steady assumption is valid, thereby removing time dependence. The dependence on wavelength is often treated through a weighted sum of gray gases (WSGG) approach. The discrete ordinates method (DOM) is one of the most common methods for approximating the angular (i.e., directional) dependence. The DOM exactly solves for the radiative intensity for a finite numbermore » of discrete ordinate directions and computes approximations to integrals over the angular space using a quadrature rule; the chosen ordinate directions correspond to the nodes of this quadrature rule. This paper applies a projection-based model-reduction approach to make high-order quadrature computationally feasible for the DOM for purely absorbing applications. First, the proposed approach constructs a reduced basis from (high-fidelity) solutions of the radiative intensity computed at a relatively small number of ordinate directions. Then, the method computes inexpensive approximations of the radiative intensity at the (remaining) quadrature points of a high-order quadrature using a reduced-order model constructed from the reduced basis. Finally, this results in a much more accurate solution than might have been achieved using only the ordinate directions used to compute the reduced basis. One- and three-dimensional test problems highlight the efficiency of the proposed method.« less

Intercomparison of 3D pore-scale flow and solute transport simulation methods

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

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB),more » lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results with previously reported experimental observations. Experimental observations are limited to measured pore-scale velocities, so solute transport comparisons are made only among the various models. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations).« less

Parallel-vector solution of large-scale structural analysis problems on supercomputers

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O.; Nguyen, Duc T.; Agarwal, Tarun K.

1989-01-01

A direct linear equation solution method based on the Choleski factorization procedure is presented which exploits both parallel and vector features of supercomputers. The new equation solver is described, and its performance is evaluated by solving structural analysis problems on three high-performance computers. The method has been implemented using Force, a generic parallel FORTRAN language.

Method for decontamination of radioactive metal surfaces

DOEpatents

Bray, L.A.

1996-08-13

Disclosed is a method for removing radioactive contaminants from metal surfaces by applying steam containing an inorganic acid and cerium IV. Cerium IV is applied to contaminated metal surfaces by introducing cerium IV in solution into a steam spray directed at contaminated metal surfaces. Cerium IV solution is converted to an essentially atomized or vapor phase by the steam.

Salt-assisted direct exfoliation of graphite into high-quality, large-size, few-layer graphene sheets.

PubMed

Niu, Liyong; Li, Mingjian; Tao, Xiaoming; Xie, Zhuang; Zhou, Xuechang; Raju, Arun P A; Young, Robert J; Zheng, Zijian

2013-08-21

We report a facile and low-cost method to directly exfoliate graphite powders into large-size, high-quality, and solution-dispersible few-layer graphene sheets. In this method, aqueous mixtures of graphite and inorganic salts such as NaCl and CuCl2 are stirred, and subsequently dried by evaporation. Finally, the mixture powders are dispersed into an orthogonal organic solvent solution of the salt by low-power and short-time ultrasonication, which exfoliates graphite into few-layer graphene sheets. We find that the as-made graphene sheets contain little oxygen, and 86% of them are 1-5 layers with lateral sizes as large as 210 μm(2). Importantly, the as-made graphene can be readily dispersed into aqueous solution in the presence of surfactant and thus is compatible with various solution-processing techniques towards graphene-based thin film devices.

Transient analysis using conical shell elements

NASA Technical Reports Server (NTRS)

Yang, J. C. S.; Goeller, J. E.; Messick, W. T.

1973-01-01

The use of the NASTRAN conical shell element in static, eigenvalue, and direct transient analyses is demonstrated. The results of a NASTRAN static solution of an externally pressurized ring-stiffened cylinder agree well with a theoretical discontinuity analysis. Good agreement is also obtained between the NASTRAN direct transient response of a uniform cylinder to a dynamic end load and one-dimensional solutions obtained using a method of characteristics stress wave code and a standing wave solution. Finally, a NASTRAN eigenvalue analysis is performed on a hydroballistic model idealized with conical shell elements.

The Linear Quadratic Gaussian Multistage Game with Nonclassical Information Pattern Using a Direct Solution Method

NASA Astrophysics Data System (ADS)

Clemens, Joshua William

Game theory has application across multiple fields, spanning from economic strategy to optimal control of an aircraft and missile on an intercept trajectory. The idea of game theory is fascinating in that we can actually mathematically model real-world scenarios and determine optimal decision making. It may not always be easy to mathematically model certain real-world scenarios, nonetheless, game theory gives us an appreciation for the complexity involved in decision making. This complexity is especially apparent when the players involved have access to different information upon which to base their decision making (a nonclassical information pattern). Here we will focus on the class of adversarial two-player games (sometimes referred to as pursuit-evasion games) with nonclassical information pattern. We present a two-sided (simultaneous) optimization solution method for the two-player linear quadratic Gaussian (LQG) multistage game. This direct solution method allows for further interpretation of each player's decision making (strategy) as compared to previously used formal solution methods. In addition to the optimal control strategies, we present a saddle point proof and we derive an expression for the optimal performance index value. We provide some numerical results in order to further interpret the optimal control strategies and to highlight real-world application of this game-theoretic optimal solution.

Ionic current rectification in organic solutions with quartz nanopipettes.

PubMed

Yin, Xiaohong; Zhang, Shudong; Dong, Yitong; Liu, Shujuan; Gu, Jing; Chen, Ye; Zhang, Xin; Zhang, Xianhao; Shao, Yuanhua

2015-09-01

The study of behaviors of ionic current rectification (ICR) in organic solutions with quartz nanopipettes is reported. ICR can be observed even in organic solutions using quartz pipettes with diameters varied from several to dozens of nanometers, and the direction of ICR is quite different from the ICR observed in aqueous phase. The influences of pore size, electrolyte concentration, and surface charge on the ICR have been investigated carefully. Water in organic solutions affects the direction and extent of ICR significantly. Mechanisms about the formation of an electrical double layer (EDL) on silica in organic solutions with different amount of water have been proposed. An improved method, which can be employed to detect trace water in organic solutions, has been implemented based on Au ultramicroelectrodes with cathodic differential pulse stripping voltammetry.

A Novel WA-BPM Based on the Generalized Multistep Scheme in the Propagation Direction in the Waveguide

NASA Astrophysics Data System (ADS)

Ji, Yang; Chen, Hong; Tang, Hongwu

2017-06-01

A highly accurate wide-angle scheme, based on the generalized mutistep scheme in the propagation direction, is developed for the finite difference beam propagation method (FD-BPM). Comparing with the previously presented method, the simulation shows that our method results in a more accurate solution, and the step size can be much larger

The 2.5-dimensional equivalent sources method for directly exposed and shielded urban canyons.

PubMed

Hornikx, Maarten; Forssén, Jens

2007-11-01

When a domain in outdoor acoustics is invariant in one direction, an inverse Fourier transform can be used to transform solutions of the two-dimensional Helmholtz equation to a solution of the three-dimensional Helmholtz equation for arbitrary source and observer positions, thereby reducing the computational costs. This previously published approach [D. Duhamel, J. Sound Vib. 197, 547-571 (1996)] is called a 2.5-dimensional method and has here been extended to the urban geometry of parallel canyons, thereby using the equivalent sources method to generate the two-dimensional solutions. No atmospheric effects are considered. To keep the error arising from the transform small, two-dimensional solutions with a very fine frequency resolution are necessary due to the multiple reflections in the canyons. Using the transform, the solution for an incoherent line source can be obtained much more efficiently than by using the three-dimensional solution. It is shown that the use of a coherent line source for shielded urban canyon observer positions leads mostly to an overprediction of levels and can yield erroneous results for noise abatement schemes. Moreover, the importance of multiple facade reflections in shielded urban areas is emphasized by vehicle pass-by calculations, where cases with absorptive and diffusive surfaces have been modeled.

Direct computation of stochastic flow in reservoirs with uncertain parameters

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

Dainton, M.P.; Nichols, N.K.; Goldwater, M.H.

1997-01-15

A direct method is presented for determining the uncertainty in reservoir pressure, flow, and net present value (NPV) using the time-dependent, one phase, two- or three-dimensional equations of flow through a porous medium. The uncertainty in the solution is modelled as a probability distribution function and is computed from given statistical data for input parameters such as permeability. The method generates an expansion for the mean of the pressure about a deterministic solution to the system equations using a perturbation to the mean of the input parameters. Hierarchical equations that define approximations to the mean solution at each point andmore » to the field convariance of the pressure are developed and solved numerically. The procedure is then used to find the statistics of the flow and the risked value of the field, defined by the NPV, for a given development scenario. This method involves only one (albeit complicated) solution of the equations and contrasts with the more usual Monte-Carlo approach where many such solutions are required. The procedure is applied easily to other physical systems modelled by linear or nonlinear partial differential equations with uncertain data. 14 refs., 14 figs., 3 tabs.« less

Electroosmotic flow hysteresis for dissimilar ionic solutions

PubMed Central

Lim, An Eng; Lam, Yee Cheong

2015-01-01

Electroosmotic flow (EOF) with two or more fluids is commonly encountered in various microfluidics applications. However, no investigation has hitherto been conducted to investigate the hysteretic or flow direction-dependent behavior during the displacement flow of solutions with dissimilar ionic species. In this investigation, electroosmotic displacement flow involving dissimilar ionic solutions was studied experimentally through a current monitoring method and numerically through finite element simulations. The flow hysteresis can be characterized by the turning and displacement times; turning time refers to the abrupt gradient change of current-time curve while displacement time is the time for one solution to completely displace the other solution. Both experimental and simulation results illustrate that the turning and displacement times for a particular solution pair can be directional-dependent, indicating that the flow conditions in the microchannel are not the same in the two different flow directions. The mechanics of EOF hysteresis was elucidated through the theoretical model which includes the ionic mobility of each species, a major governing parameter. Two distinct mechanics have been identified as the causes for the EOF hysteresis involving dissimilar ionic solutions: the widening/sharpening effect of interfacial region between the two solutions and the difference in ion concentration distributions (and thus average zeta potentials) in different flow directions. The outcome of this investigation contributes to the fundamental understanding of flow behavior in microfluidic systems involving solution pair with dissimilar ionic species. PMID:25945139

Development of new analytical methods for the determination of caffeine content in aqueous solution of green coffee beans.

PubMed

Weldegebreal, Blen; Redi-Abshiro, Mesfin; Chandravanshi, Bhagwan Singh

2017-12-05

This study was conducted to develop fast and cost effective methods for the determination of caffeine in green coffee beans. In the present work direct determination of caffeine in aqueous solution of green coffee bean was performed using FT-IR-ATR and fluorescence spectrophotometry. Caffeine was also directly determined in dimethylformamide solution using NIR spectroscopy with univariate calibration technique. The percentage of caffeine for the same sample of green coffee beans was determined using the three newly developed methods. The caffeine content of the green coffee beans was found to be 1.52 ± 0.09 (% w/w) using FT-IR-ATR, 1.50 ± 0.14 (% w/w) using NIR and 1.50 ± 0.05 (% w/w) using fluorescence spectroscopy. The means of the three methods were compared by applying one way analysis of variance and at p = 0.05 significance level the means were not significantly different. The percentage of caffeine in the same sample of green coffee bean was also determined by using the literature reported UV/Vis spectrophotometric method for comparison and found to be 1.40 ± 0.02 (% w/w). New simple, rapid and inexpensive methods were developed for direct determination of caffeine content in aqueous solution of green coffee beans using FT-IR-ATR and fluorescence spectrophotometries. NIR spectrophotometry can also be used as alternative choice of caffeine determination using reduced amount of organic solvent (dimethylformamide) and univariate calibration technique. These analytical methods may therefore, be recommended for the rapid, simple, safe and cost effective determination of caffeine in green coffee beans.

The origin of spurious solutions in computational electromagnetics

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Wu, Jie; Povinelli, L. A.

1995-01-01

The origin of spurious solutions in computational electromagnetics, which violate the divergence equations, is deeply rooted in a misconception about the first-order Maxwell's equations and in an incorrect derivation and use of the curl-curl equations. The divergence equations must be always included in the first-order Maxwell's equations to maintain the ellipticity of the system in the space domain and to guarantee the uniqueness of the solution and/or the accuracy of the numerical solutions. The div-curl method and the least-squares method provide rigorous derivation of the equivalent second-order Maxwell's equations and their boundary conditions. The node-based least-squares finite element method (LSFEM) is recommended for solving the first-order full Maxwell equations directly. Examples of the numerical solutions by LSFEM for time-harmonic problems are given to demonstrate that the LSFEM is free of spurious solutions.

σ -SCF: A Direct Energy-targeting Method To Mean-field Excited States

NASA Astrophysics Data System (ADS)

Ye, Hongzhou; Welborn, Matthew; Ricke, Nathan; van Voorhis, Troy

The mean-field solutions of electronic excited states are much less accessible than ground state (e.g. Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF, tend to fall into the lowest solution consistent with a given symmetry - a problem known as ``variational collapse''. In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states - ground or excited - are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H2, HF). This work was funded by a Grant from NSF (CHE-1464804).

Direct numerical solution of the Ornstein-Zernike integral equation and spatial distribution of water around hydrophobic molecules

NASA Astrophysics Data System (ADS)

Ikeguchi, Mitsunori; Doi, Junta

1995-09-01

The Ornstein-Zernike integral equation (OZ equation) has been used to evaluate the distribution function of solvents around solutes, but its numerical solution is difficult for molecules with a complicated shape. This paper proposes a numerical method to directly solve the OZ equation by introducing the 3D lattice. The method employs no approximation the reference interaction site model (RISM) equation employed. The method enables one to obtain the spatial distribution of spherical solvents around solutes with an arbitrary shape. Numerical accuracy is sufficient when the grid-spacing is less than 0.5 Å for solvent water. The spatial water distribution around a propane molecule is demonstrated as an example of a nonspherical hydrophobic molecule using iso-value surfaces. The water model proposed by Pratt and Chandler is used. The distribution agrees with the molecular dynamics simulation. The distribution increases offshore molecular concavities. The spatial distribution of water around 5α-cholest-2-ene (C27H46) is visualized using computer graphics techniques and a similar trend is observed.

Solutions and conservation laws for a Kaup-Boussinesq system

NASA Astrophysics Data System (ADS)

Motsepa, Tanki; Abudiab, Mufid; Khalique, Chaudry Masood

2017-07-01

In this work we study a Kaup-Boussinesq system, which is used in the analysis of long waves in shallow water. Travelling wave solutions are obtained by using direct integration. Secondly, conservation laws are derived by using the multiplier method.

Application of an Extended Parabolic Equation to the Calculation of the Mean Field and the Transverse and Longitudinal Mutual Coherence Functions Within Atmospheric Turbulence

NASA Technical Reports Server (NTRS)

Manning, Robert M.

2005-01-01

Solutions are derived for the generalized mutual coherence function (MCF), i.e., the second order moment, of a random wave field propagating through a random medium within the context of the extended parabolic equation. Here, "generalized" connotes the consideration of both the transverse as well as the longitudinal second order moments (with respect to the direction of propagation). Such solutions will afford a comparison between the results of the parabolic equation within the pararaxial approximation and those of the wide-angle extended theory. To this end, a statistical operator method is developed which gives a general equation for an arbitrary spatial statistical moment of the wave field. The generality of the operator method allows one to obtain an expression for the second order field moment in the direction longitudinal to the direction of propagation. Analytical solutions to these equations are derived for the Kolmogorov and Tatarskii spectra of atmospheric permittivity fluctuations within the Markov approximation.

Tensor-product preconditioners for a space-time discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Diosady, Laslo T.; Murman, Scott M.

2014-10-01

A space-time discontinuous Galerkin spectral element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equations. An efficient solution technique based on a matrix-free Newton-Krylov method is presented. A diagonalized alternating direction implicit preconditioner is extended to a space-time formulation using entropy variables. The effectiveness of this technique is demonstrated for the direct numerical simulation of turbulent flow in a channel.

Fluid dynamic modeling of nano-thermite reactions

NASA Astrophysics Data System (ADS)

Martirosyan, Karen S.; Zyskin, Maxim; Jenkins, Charles M.; Yuki Horie, Yasuyuki

2014-03-01

This paper presents a direct numerical method based on gas dynamic equations to predict pressure evolution during the discharge of nanoenergetic materials. The direct numerical method provides for modeling reflections of the shock waves from the reactor walls that generates pressure-time fluctuations. The results of gas pressure prediction are consistent with the experimental evidence and estimates based on the self-similar solution. Artificial viscosity provides sufficient smoothing of shock wave discontinuity for the numerical procedure. The direct numerical method is more computationally demanding and flexible than self-similar solution, in particular it allows study of a shock wave in its early stage of reaction and allows the investigation of "slower" reactions, which may produce weaker shock waves. Moreover, numerical results indicate that peak pressure is not very sensitive to initial density and reaction time, providing that all the material reacts well before the shock wave arrives at the end of the reactor.

Fluid dynamic modeling of nano-thermite reactions

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

Martirosyan, Karen S., E-mail: karen.martirosyan@utb.edu; Zyskin, Maxim; Jenkins, Charles M.

2014-03-14

This paper presents a direct numerical method based on gas dynamic equations to predict pressure evolution during the discharge of nanoenergetic materials. The direct numerical method provides for modeling reflections of the shock waves from the reactor walls that generates pressure-time fluctuations. The results of gas pressure prediction are consistent with the experimental evidence and estimates based on the self-similar solution. Artificial viscosity provides sufficient smoothing of shock wave discontinuity for the numerical procedure. The direct numerical method is more computationally demanding and flexible than self-similar solution, in particular it allows study of a shock wave in its early stagemore » of reaction and allows the investigation of “slower” reactions, which may produce weaker shock waves. Moreover, numerical results indicate that peak pressure is not very sensitive to initial density and reaction time, providing that all the material reacts well before the shock wave arrives at the end of the reactor.« less

Robust Multigrid Smoothers for Three Dimensional Elliptic Equations with Strong Anisotropies

NASA Technical Reports Server (NTRS)

Llorente, Ignacio M.; Melson, N. Duane

1998-01-01

We discuss the behavior of several plane relaxation methods as multigrid smoothers for the solution of a discrete anisotropic elliptic model problem on cell-centered grids. The methods compared are plane Jacobi with damping, plane Jacobi with partial damping, plane Gauss-Seidel, plane zebra Gauss-Seidel, and line Gauss-Seidel. Based on numerical experiments and local mode analysis, we compare the smoothing factor of the different methods in the presence of strong anisotropies. A four-color Gauss-Seidel method is found to have the best numerical and architectural properties of the methods considered in the present work. Although alternating direction plane relaxation schemes are simpler and more robust than other approaches, they are not currently used in industrial and production codes because they require the solution of a two-dimensional problem for each plane in each direction. We verify the theoretical predictions of Thole and Trottenberg that an exact solution of each plane is not necessary and that a single two-dimensional multigrid cycle gives the same result as an exact solution, in much less execution time. Parallelization of the two-dimensional multigrid cycles, the kernel of the three-dimensional implicit solver, is also discussed. Alternating-plane smoothers are found to be highly efficient multigrid smoothers for anisotropic elliptic problems.

The conformal transformation of an airfoil into a straight line and its application to the inverse problem of airfoil theory

NASA Technical Reports Server (NTRS)

Mutterperl, William

1944-01-01

A method of conformal transformation is developed that maps an airfoil into a straight line, the line being chosen as the extended chord line of the airfoil. The mapping is accomplished by operating directly with the airfoil ordinates. The absence of any preliminary transformation is found to shorten the work substantially over that of previous methods. Use is made of the superposition of solutions to obtain a rigorous counterpart of the approximate methods of thin-airfoils theory. The method is applied to the solution of the direct and inverse problems for arbitrary airfoils and pressure distributions. Numerical examples are given. Applications to more general types of regions, in particular to biplanes and to cascades of airfoils, are indicated. (author)

Assessment of the further improved (G'/G)-expansion method and the extended tanh-method in probing exact solutions of nonlinear PDEs.

PubMed

Akbar, M Ali; Ali, Norhashidah Hj Mohd; Mohyud-Din, Syed Tauseef

2013-01-01

The (G'/G)-expansion method is one of the most direct and effective method for obtaining exact solutions of nonlinear partial differential equations (PDEs). In the present article, we construct the exact traveling wave solutions of nonlinear evolution equations in mathematical physics via the (2 + 1)-dimensional breaking soliton equation by using two methods: namely, a further improved (G'/G)-expansion method, where G(ξ) satisfies the auxiliary ordinary differential equation (ODE) [G'(ξ)](2) = p G (2)(ξ) + q G (4)(ξ) + r G (6)(ξ); p, q and r are constants and the well known extended tanh-function method. We demonstrate, nevertheless some of the exact solutions bring out by these two methods are analogous, but they are not one and the same. It is worth mentioning that the first method has not been exercised anybody previously which gives further exact solutions than the second one. PACS numbers 02.30.Jr, 05.45.Yv, 02.30.Ik.

A numerical study of transient heat and mass transfer in crystal growth

NASA Technical Reports Server (NTRS)

Han, Samuel Bang-Moo

1987-01-01

A numerical analysis of transient heat and solute transport across a rectangular cavity is performed. Five nonlinear partial differential equations which govern the conservation of mass, momentum, energy and solute concentration related to crystal growth in solution, are simultaneously integrated by a numerical method based on the SIMPLE algorithm. Numerical results showed that the flow, temperature and solute fields are dependent on thermal and solutal Grashoff number, Prandtl number, Schmidt number and aspect ratio. The average Nusselt and Sherwood numbers evaluated at the center of the cavity decrease markedly when the solutal buoyancy force acts in the opposite direction to the thermal buoyancy force. When the solutal and thermal buoyancy forces act in the same direction, however, Sherwood number increases significantly and yet Nusselt number decreases. Overall effects of convection on the crystal growth are seen to be an enhancement of growth rate as expected but with highly nonuniform spatial growth variations.

Liquid chromatographic extraction medium

DOEpatents

Horwitz, E. Philip; Dietz, Mark L.

1994-01-01

A method and apparatus for extracting strontium and technetium values from biological, industrial and environmental sample solutions using a chromatographic column is described. An extractant medium for the column is prepared by generating a solution of a diluent containing a Crown ether and dispersing the solution on a resin substrate material. The sample solution is highly acidic and is introduced directed to the chromatographic column and strontium or technetium is eluted using deionized water.

Method for the recovery of silver from waste photographic fixer solutions

DOEpatents

Posey, F.A.; Palko, A.A.

The method of the present invention is directed to the recovery of silver from spent photographic fixer solutions and for providing an effluent essentially silver-free that is suitable for discharge into commercial sewage systems. The present method involves the steps of introducing the spent photographic fixer solution into an alkaline hypochlorite solution. The oxidizing conditions of the alkaline hypochlorite solution are maintained during the addition of the fixer solution so that the silver ion complexing agents of thiosulfate and sulfite ions are effectively destroyed. Hydrazine monohydrate is then added to the oxidizing solution to form a reducing solution to effect the formation of a precipitate of silver which can be readily removed by filtration of decanting. Experimental tests indicate that greater than 99.99% of the original silver in the spent photographic fixer can be efficiently removed by practicing the present method. Also, the chemical and biological oxygen demand of the remaining effluent is significantly reduced so as to permit the discharge thereof into sewage systems at levels in compliance with federal and state environmental standards.

Method for the recovery of silver from waste photographic fixer solutions

DOEpatents

Posey, Franz A.; Palko, Aloysius A.

1984-01-01

The method of the present invention is directed to the recovery of silver from spent photographic fixer solutions and for providing an effluent essentially silver-free that is suitable for discharge into commercial sewage systems. The present method involves the steps of introducing the spent photographic fixer solution into an alkaline hypochlorite solution. The oxidizing conditions of the alkaline hypochlorite solution are maintained during the addition of the fixer solution so that the silver ion complexing agents of thiosulfate and sulfite ions are effectively destroyed. Hydrazine monohydrate is then added to the oxidizing solution to form a reducing solution to effect the formation of a precipitate of silver which can be readily removed by filtration or decanting. Experimental tests indicate that greater than 99.99% of the original silver in the spent photographic fixer can be efficiently removed by practicing the present method. Also, the chemical and biological oxygen demand of the remaining effluent is significantly reduced so as to permit the discharge thereof into sewage systems at levels in compliance with federal and state environmental standards.

Synthesis of Perfluorinated Ethers by Solution Phase Direct Fluorination: An Adaptation of the La-Mar Technique

DTIC Science & Technology

1990-08-22

Six of the 3 perfluorinated ethers prepared have been previously synthesized by other methods: perfluoro -5,5-bis(ethoxy- f methyl) -3,7-dioxanonane...from partially fluorinated starting material [34]. Third, as with perfluoroalkanes and simple perfluoroethers , Clark’s experimental results indicated 3...a highly branched perfluoroether ) by direct fluorination 3 in solution. Second, since some of these perfluorinated compounds had been previously

Novel silver nanoparticle-enhanced fluorometric determination of trace tetracyclines in aqueous solutions.

PubMed

Wang, Ping; Wu, Tun-Hua; Zhang, Yong

2016-01-01

Metal-enhanced fluorescence (MEF) has exhibited promise for applications in fluorometric assays. The effects of silver nanoparticles (AgNP) on the fluorescence behaviours of tetracycline hydrochloride (TCH) and chlortetracycline hydrochloride (CTC) in aqueous solutions were investigated. The experimental results demonstrated that the fluorescence intensities of each tetracycline in water solutions were greatly enhanced by AgNP through the MEF effect. In addition, a novel silver nanoparticle-enhanced fluorometric method was established for the direct determination of TCH and CTC in aqueous solutions. Under optimum experimental conditions, the linear dynamic ranges for the determination of TCH and CTC in aqueous solutions varied from 0.10 to 6.0 mg L(-1) and 0.050 to 3.0 mg L(-1) with detection limits of 0.63 µg L(-1) and 0.19 µg L(-1), respectively, and with the relative standard deviation of less than 1.9% (n=9). The experimental recovery results for the determination of TCH and CTC in aqueous solutions ranged from 93-106% and 95-104%, respectively. Compared with the established method without the addition of AgNP, the limits of quantitation of the silver nanoparticle-enhanced fluorometric method were approximately 5-fold lower for TCH and 3-fold lower for CTC. Moreover, the newly established silver nanoparticle-enhanced fluorometric method was successfully applied to the direct determination of TCH and CTC in pharmaceutical preparations. Copyright © 2015 Elsevier B.V. All rights reserved.

Decision net, directed graph, and neural net processing of imaging spectrometer data

NASA Technical Reports Server (NTRS)

Casasent, David; Liu, Shiaw-Dong; Yoneyama, Hideyuki; Barnard, Etienne

1989-01-01

A decision-net solution involving a novel hierarchical classifier and a set of multiple directed graphs, as well as a neural-net solution, are respectively presented for large-class problem and mixture problem treatments of imaging spectrometer data. The clustering method for hierarchical classifier design, when used with multiple directed graphs, yields an efficient decision net. New directed-graph rules for reducing local maxima as well as the number of perturbations required, and the new starting-node rules for extending the reachability and reducing the search time of the graphs, are noted to yield superior results, as indicated by an illustrative 500-class imaging spectrometer problem.

Novel Method for Loading Microporous Ceramics Bone Grafts by Using a Directional Flow

PubMed Central

Seidenstuecker, Michael; Kissling, Steffen; Ruehe, Juergen; Suedkamp, Norbert P.; Mayr, Hermann O.; Bernstein, Anke

2015-01-01

The aim of this study was the development of a process for filling the pores of a β-tricalcium phosphate ceramic with interconnected porosity with an alginate hydrogel. For filling of the ceramics, solutions of alginate hydrogel precursors with suitable viscosity were chosen as determined by rheometry. For loading of the porous ceramics with the gel the samples were placed at the flow chamber and sealed with silicone seals. By using a vacuum induced directional flow, the samples were loaded with alginate solutions. The loading success was controlled by ESEM and fluorescence imaging using a fluorescent dye (FITC) for staining of the gel. After loading of the pores, the alginate is transformed into a hydrogel through crosslinking with CaCl2 solution. The biocompatibility of the obtained composite material was tested with a live dead cell staining by using MG-63 Cells. The loading procedure via vacuum assisted directional flow allowed complete filling of the pores of the ceramics within a few minutes (10 ± 3 min) while loading through simple immersion into the polymer solution or through a conventional vacuum method only gave incomplete filling. PMID:26703749

Copper-assisted, anti-reflection etching of silicon surfaces

DOEpatents

Toor, Fatima; Branz, Howard

2014-08-26

A method (300) for etching a silicon surface (116) to reduce reflectivity. The method (300) includes electroless deposition of copper nanoparticles about 20 nanometers in size on the silicon surface (116), with a particle-to-particle spacing of 3 to 8 nanometers. The method (300) includes positioning (310) the substrate (112) with a silicon surface (116) into a vessel (122). The vessel (122) is filled (340) with a volume of an etching solution (124) so as to cover the silicon surface (116). The etching solution (124) includes an oxidant-etchant solution (146), e.g., an aqueous solution of hydrofluoric acid and hydrogen peroxide. The silicon surface (116) is etched (350) by agitating the etching solution (124) with, for example, ultrasonic agitation, and the etching may include heating (360) the etching solution (124) and directing light (365) onto the silicon surface (116). During the etching, copper nanoparticles enhance or drive the etching process.

Large eddy simulation of incompressible turbulent channel flow

NASA Technical Reports Server (NTRS)

Moin, P.; Reynolds, W. C.; Ferziger, J. H.

1978-01-01

The three-dimensional, time-dependent primitive equations of motion were numerically integrated for the case of turbulent channel flow. A partially implicit numerical method was developed. An important feature of this scheme is that the equation of continuity is solved directly. The residual field motions were simulated through an eddy viscosity model, while the large-scale field was obtained directly from the solution of the governing equations. An important portion of the initial velocity field was obtained from the solution of the linearized Navier-Stokes equations. The pseudospectral method was used for numerical differentiation in the horizontal directions, and second-order finite-difference schemes were used in the direction normal to the walls. The large eddy simulation technique is capable of reproducing some of the important features of wall-bounded turbulent flows. The resolvable portions of the root-mean square wall pressure fluctuations, pressure velocity-gradient correlations, and velocity pressure-gradient correlations are documented.

Solving Ordinary Differential Equations

NASA Technical Reports Server (NTRS)

Krogh, F. T.

1987-01-01

Initial-value ordinary differential equation solution via variable order Adams method (SIVA/DIVA) package is collection of subroutines for solution of nonstiff ordinary differential equations. There are versions for single-precision and double-precision arithmetic. Requires fewer evaluations of derivatives than other variable-order Adams predictor/ corrector methods. Option for direct integration of second-order equations makes integration of trajectory problems significantly more efficient. Written in FORTRAN 77.

The accurate solution of Poisson's equation by expansion in Chebyshev polynomials

NASA Technical Reports Server (NTRS)

Haidvogel, D. B.; Zang, T.

1979-01-01

A Chebyshev expansion technique is applied to Poisson's equation on a square with homogeneous Dirichlet boundary conditions. The spectral equations are solved in two ways - by alternating direction and by matrix diagonalization methods. Solutions are sought to both oscillatory and mildly singular problems. The accuracy and efficiency of the Chebyshev approach compare favorably with those of standard second- and fourth-order finite-difference methods.

Computational Fluid Dynamics for Atmospheric Entry

DTIC Science & Technology

2009-09-01

equations. This method is a parallelizable variant of the Gauss - Seidel line-relaxation method of MacCormack (Ref. 33, 35), and is at the core of the...G.V. Candler, “The Solution of the Navier-Stokes Equations Gauss - Seidel Line Relaxation,” Computers and Fluids, Vol. 17, No. 1, 1989, pp. 135-150. 35... solution differs by 5% from the results obtained using the direct simulation Monte Carlo method . 3 Some authors advocate the use of higher-order continuum

On-tissue Direct Monitoring of Global Hydrogen/Deuterium Exchange by MALDI Mass Spectrometry: Tissue Deuterium Exchange Mass Spectrometry (TDXMS)*

PubMed Central

Quanico, Jusal; Franck, Julien

2016-01-01

Hydrogen/deuterium exchange mass spectrometric (H/DXMS) methods for protein structural analysis are conventionally performed in solution. We present Tissue Deuterium Exchange Mass Spectrometry (TDXMS), a method to directly monitor deuterium uptake on tissue, as a means to better approximate the deuterium exchange behavior of proteins in their native microenvironment. Using this method, a difference in deuterium uptake behavior was observed when the same proteins were monitored in solution and on tissue. The higher maximum deuterium uptake at equilibrium for all proteins analyzed in solution suggests a more open conformation in the absence of interacting partners normally observed on tissue. We also demonstrate a difference in the deuterium uptake behavior of a few proteins across different morphological regions of the same tissue section. Modifications of the total number of hydrogens exchanged, as well as the kinetics of exchange, were both observed. These results provide information on the implication of protein interactions with partners as well as on the conformational changes related to these interactions, and illustrate the importance of examining protein deuterium exchange behavior in the presence of its specific microenvironment directly at the level of tissues. PMID:27512083

Dimension reduction method for SPH equations

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

Tartakovsky, Alexandre M.; Scheibe, Timothy D.

2011-08-26

Smoothed Particle Hydrodynamics model of a complex multiscale processe often results in a system of ODEs with an enormous number of unknowns. Furthermore, a time integration of the SPH equations usually requires time steps that are smaller than the observation time by many orders of magnitude. A direct solution of these ODEs can be extremely expensive. Here we propose a novel dimension reduction method that gives an approximate solution of the SPH ODEs and provides an accurate prediction of the average behavior of the modeled system. The method consists of two main elements. First, effective equationss for evolution of averagemore » variables (e.g. average velocity, concentration and mass of a mineral precipitate) are obtained by averaging the SPH ODEs over the entire computational domain. These effective ODEs contain non-local terms in the form of volume integrals of functions of the SPH variables. Second, a computational closure is used to close the system of the effective equations. The computational closure is achieved via short bursts of the SPH model. The dimension reduction model is used to simulate flow and transport with mixing controlled reactions and mineral precipitation. An SPH model is used model transport at the porescale. Good agreement between direct solutions of the SPH equations and solutions obtained with the dimension reduction method for different boundary conditions confirms the accuracy and computational efficiency of the dimension reduction model. The method significantly accelerates SPH simulations, while providing accurate approximation of the solution and accurate prediction of the average behavior of the system.« less

The exact solution of shear-lag problems in flat panels and box beams assumed rigid in the transverse direction

NASA Technical Reports Server (NTRS)

Hildebrand, Francis B

1943-01-01

A mathematical procedure is herein developed for obtaining exact solutions of shear-lag problems in flat panels and box beams: the method is based on the assumption that the amount of stretching of the sheets in the direction perpendicular to the direction of essential normal stresses is negligible. Explicit solutions, including the treatment of cut-outs, are given for several cases and numerical results are presented in graphic and tabular form. The general theory is presented in a from which further solutions can be readily obtained. The extension of the theory to cover certain cases of non-uniform cross section is indicated. Although the solutions are obtained in terms of infinite series, the present developments differ from those previously given in that, in practical cases, the series usually converge so rapidly that sufficient accuracy is afforded by a small number of terms. Comparisons are made in several cases between the present results and the corresponding solutions obtained by approximate procedures devised by Reissner and by Kuhn and Chiarito.

Integral method for transient He II heat transfer in a semi-infinite domain

NASA Astrophysics Data System (ADS)

Baudouy, B.

2002-05-01

Integral methods are suited to solve a non-linear system of differential equations where the non-linearity can be found either in the differential equations or in the boundary conditions. Though they are approximate methods, they have proven to give simple solutions with acceptable accuracy for transient heat transfer in He II. Taking in account the temperature dependence of thermal properties, direct solutions are found without the need of adjusting a parameter. Previously, we have presented a solution for the clamped heat flux and in the present study this method is used to accommodate the clamped-temperature problem. In the case of constant thermal properties, this method yields results that are within a few percent of the exact solution for the heat flux at the axis origin. We applied this solution to analyze recovery from burnout and find an agreement within 10% at low heat flux, whereas at high heat flux the model deviates from the experimental data suggesting the need for a more refined thermal model.

Radiative transport produced by oblique illumination of turbid media with collimated beams

NASA Astrophysics Data System (ADS)

Gardner, Adam R.; Kim, Arnold D.; Venugopalan, Vasan

2013-06-01

We examine the general problem of light transport initiated by oblique illumination of a turbid medium with a collimated beam. This situation has direct relevance to the analysis of cloudy atmospheres, terrestrial surfaces, soft condensed matter, and biological tissues. We introduce a solution approach to the equation of radiative transfer that governs this problem, and develop a comprehensive spherical harmonics expansion method utilizing Fourier decomposition (SHEFN). The SHEFN approach enables the solution of problems lacking azimuthal symmetry and provides both the spatial and directional dependence of the radiance. We also introduce the method of sequential-order smoothing that enables the calculation of accurate solutions from the results of two sequential low-order approximations. We apply the SHEFN approach to determine the spatial and angular dependence of both internal and boundary radiances from strongly and weakly scattering turbid media. These solutions are validated using more costly Monte Carlo simulations and reveal important insights regarding the evolution of the radiant field generated by oblique collimated beams spanning ballistic and diffusely scattering regimes.

Liquid chromatographic extraction medium

DOEpatents

Horwitz, E.P.; Dietz, M.L.

1994-09-13

A method and apparatus are disclosed for extracting strontium and technetium values from biological, industrial and environmental sample solutions using a chromatographic column. An extractant medium for the column is prepared by generating a solution of a diluent containing a Crown ether and dispersing the solution on a resin substrate material. The sample solution is highly acidic and is introduced directed to the chromatographic column and strontium or technetium is eluted using deionized water. 1 fig.

Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis

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

Kawaguchi, Tomoya; Liu, Yihua; Reiter, Anthony

Here, a one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1 M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.

Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis

DOE PAGES

Kawaguchi, Tomoya; Liu, Yihua; Reiter, Anthony; ...

2018-04-20

Here, a one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1 M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.

A mass-conserving mixed Fourier-Galerkin B-Spline-collocation method for Direct Numerical Simulation of the variable-density Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Reuter, Bryan; Oliver, Todd; Lee, M. K.; Moser, Robert

2017-11-01

We present an algorithm for a Direct Numerical Simulation of the variable-density Navier-Stokes equations based on the velocity-vorticity approach introduced by Kim, Moin, and Moser (1987). In the current work, a Helmholtz decomposition of the momentum is performed. Evolution equations for the curl and the Laplacian of the divergence-free portion are formulated by manipulation of the momentum equations and the curl-free portion is reconstructed by enforcing continuity. The solution is expanded in Fourier bases in the homogeneous directions and B-Spline bases in the inhomogeneous directions. Discrete equations are obtained through a mixed Fourier-Galerkin and collocation weighted residual method. The scheme is designed such that the numerical solution conserves mass locally and globally by ensuring the discrete divergence projection is exact through the use of higher order splines in the inhomogeneous directions. The formulation is tested on multiple variable-density flow problems.

A Calculation Method for Convective Heat and Mass Transfer in Multiply-Slotted Film-Cooling Applications.

DTIC Science & Technology

1980-01-01

Transport of Heat ..... .......... 8 3. THE SOLUTION PROCEDURE ..... .. ................. 8 3.1 The Finite-Difference Grid Network ... .......... 8 3.2...The Finite-Difference Grid Network. Figure 4: The Iterative Solution Procedure used at each Streamwise Station. Figure 5: Velocity Profiles in the...the finite-difference grid in the y-direction. I is the mixing length. L is the distance in the x-direction from the injection slot entrance to the

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 comparison of the Method of Lines to finite difference techniques in solving time-dependent partial differential equations. [with applications to Burger equation and stream function-vorticity problem

NASA Technical Reports Server (NTRS)

Kurtz, L. A.; Smith, R. E.; Parks, C. L.; Boney, L. R.

1978-01-01

Steady state solutions to two time dependent partial differential systems have been obtained by the Method of Lines (MOL) and compared to those obtained by efficient standard finite difference methods: (1) Burger's equation over a finite space domain by a forward time central space explicit method, and (2) the stream function - vorticity form of viscous incompressible fluid flow in a square cavity by an alternating direction implicit (ADI) method. The standard techniques were far more computationally efficient when applicable. In the second example, converged solutions at very high Reynolds numbers were obtained by MOL, whereas solution by ADI was either unattainable or impractical. With regard to 'set up' time, solution by MOL is an attractive alternative to techniques with complicated algorithms, as much of the programming difficulty is eliminated.

Numerical Modeling of Ablation Heat Transfer

NASA Technical Reports Server (NTRS)

Ewing, Mark E.; Laker, Travis S.; Walker, David T.

2013-01-01

A unique numerical method has been developed for solving one-dimensional ablation heat transfer problems. This paper provides a comprehensive description of the method, along with detailed derivations of the governing equations. This methodology supports solutions for traditional ablation modeling including such effects as heat transfer, material decomposition, pyrolysis gas permeation and heat exchange, and thermochemical surface erosion. The numerical scheme utilizes a control-volume approach with a variable grid to account for surface movement. This method directly supports implementation of nontraditional models such as material swelling and mechanical erosion, extending capabilities for modeling complex ablation phenomena. Verifications of the numerical implementation are provided using analytical solutions, code comparisons, and the method of manufactured solutions. These verifications are used to demonstrate solution accuracy and proper error convergence rates. A simple demonstration of a mechanical erosion (spallation) model is also provided to illustrate the unique capabilities of the method.

Time-asymptotic solutions of the Navier-Stokes equation for free shear flows using an alternating-direction implicit method

NASA Technical Reports Server (NTRS)

Rudy, D. H.; Morris, D. J.

1976-01-01

An uncoupled time asymptotic alternating direction implicit method for solving the Navier-Stokes equations was tested on two laminar parallel mixing flows. A constant total temperature was assumed in order to eliminate the need to solve the full energy equation; consequently, static temperature was evaluated by using algebraic relationship. For the mixing of two supersonic streams at a Reynolds number of 1,000, convergent solutions were obtained for a time step 5 times the maximum allowable size for an explicit method. The solution diverged for a time step 10 times the explicit limit. Improved convergence was obtained when upwind differencing was used for convective terms. Larger time steps were not possible with either upwind differencing or the diagonally dominant scheme. Artificial viscosity was added to the continuity equation in order to eliminate divergence for the mixing of a subsonic stream with a supersonic stream at a Reynolds number of 1,000.

Design Optimization Toolkit: Users' Manual

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

Aguilo Valentin, Miguel Alejandro

The Design Optimization Toolkit (DOTk) is a stand-alone C++ software package intended to solve complex design optimization problems. DOTk software package provides a range of solution methods that are suited for gradient/nongradient-based optimization, large scale constrained optimization, and topology optimization. DOTk was design to have a flexible user interface to allow easy access to DOTk solution methods from external engineering software packages. This inherent flexibility makes DOTk barely intrusive to other engineering software packages. As part of this inherent flexibility, DOTk software package provides an easy-to-use MATLAB interface that enables users to call DOTk solution methods directly from the MATLABmore » command window.« less

Techniques and Software for Monolithic Preconditioning of Moderately-sized Geodynamic Stokes Flow Problems

NASA Astrophysics Data System (ADS)

Sanan, Patrick; May, Dave A.; Schenk, Olaf; Bollhöffer, Matthias

2017-04-01

Geodynamics simulations typically involve the repeated solution of saddle-point systems arising from the Stokes equations. These computations often dominate the time to solution. Direct solvers are known for their robustness and ``black box'' properties, yet exhibit superlinear memory requirements and time to solution. More complex multilevel-preconditioned iterative solvers have been very successful for large problems, yet their use can require more effort from the practitioner in terms of setting up a solver and choosing its parameters. We champion an intermediate approach, based on leveraging the power of modern incomplete factorization techniques for indefinite symmetric matrices. These provide an interesting alternative in situations in between the regimes where direct solvers are an obvious choice and those where complex, scalable, iterative solvers are an obvious choice. That is, much like their relatives for definite systems, ILU/ICC-preconditioned Krylov methods and ILU/ICC-smoothed multigrid methods, the approaches demonstrated here provide a useful addition to the solver toolkit. We present results with a simple, PETSc-based, open-source Q2-Q1 (Taylor-Hood) finite element discretization, in 2 and 3 dimensions, with the Stokes and Lamé (linear elasticity) saddle point systems. Attention is paid to cases in which full-operator incomplete factorization gives an improvement in time to solution over direct solution methods (which may not even be feasible due to memory limitations), without the complication of more complex (or at least, less-automatic) preconditioners or smoothers. As an important factor in the relevance of these tools is their availability in portable software, we also describe open-source PETSc interfaces to the factorization routines.

Can we estimate total magnetization directions from aeromagnetic data using Helbig's integrals?

USGS Publications Warehouse

Phillips, J.D.

2005-01-01

An algorithm that implements Helbig's (1963) integrals for estimating the vector components (mx, my, mz) of tile magnetic dipole moment from the first order moments of the vector magnetic field components (??X, ??Y, ??Z) is tested on real and synthetic data. After a grid of total field aeromagnetic data is converted to vector component grids using Fourier filtering, Helbig's infinite integrals are evaluated as finite integrals in small moving windows using a quadrature algorithm based on the 2-D trapezoidal rule. Prior to integration, best-fit planar surfaces must be removed from the component data within the data windows in order to make the results independent of the coordinate system origin. Two different approaches are described for interpreting the results of the integration. In the "direct" method, results from pairs of different window sizes are compared to identify grid nodes where the angular difference between solutions is small. These solutions provide valid estimates of total magnetization directions for compact sources such as spheres or dipoles, but not for horizontally elongated or 2-D sources. In the "indirect" method, which is more forgiving of source geometry, results of the quadrature analysis are scanned for solutions that are parallel to a specified total magnetization direction.

Method of Harmonic Balance in Full-Scale-Model Tests of Electrical Devices

NASA Astrophysics Data System (ADS)

Gorbatenko, N. I.; Lankin, A. M.; Lankin, M. V.

2017-01-01

Methods for determining the weber-ampere characteristics of electrical devices, one of which is based on solution of direct problem of harmonic balance and the other on solution of inverse problem of harmonic balance by the method of full-scale-model tests, are suggested. The mathematical model of the device is constructed using the describing function and simplex optimization methods. The presented results of experimental applications of the method show its efficiency. The advantage of the method is the possibility of application for nondestructive inspection of electrical devices in the processes of their production and operation.

Multigrid Methods for Aerodynamic Problems in Complex Geometries

NASA Technical Reports Server (NTRS)

Caughey, David A.

1995-01-01

Work has been directed at the development of efficient multigrid methods for the solution of aerodynamic problems involving complex geometries, including the development of computational methods for the solution of both inviscid and viscous transonic flow problems. The emphasis is on problems of complex, three-dimensional geometry. The methods developed are based upon finite-volume approximations to both the Euler and the Reynolds-Averaged Navier-Stokes equations. The methods are developed for use on multi-block grids using diagonalized implicit multigrid methods to achieve computational efficiency. The work is focused upon aerodynamic problems involving complex geometries, including advanced engine inlets.

A weighted adjustment of a similarity transformation between two point sets containing errors

NASA Astrophysics Data System (ADS)

Marx, C.

2017-10-01

For an adjustment of a similarity transformation, it is often appropriate to consider that both the source and the target coordinates of the transformation are affected by errors. For the least squares adjustment of this problem, a direct solution is possible in the cases of specific-weighing schemas of the coordinates. Such a problem is considered in the present contribution and a direct solution is generally derived for the m-dimensional space. The applied weighing schema allows (fully populated) point-wise weight matrices for the source and target coordinates, both weight matrices have to be proportional to each other. Additionally, the solutions of two borderline cases of this weighting schema are derived, which only consider errors in the source or target coordinates. The investigated solution of the rotation matrix of the adjustment is independent of the scaling between the weight matrices of the source and the target coordinates. The mentioned borderline cases, therefore, have the same solution of the rotation matrix. The direct solution method is successfully tested on an example of a 3D similarity transformation using a comparison with an iterative solution based on the Gauß-Helmert model.

Design of transonic airfoil sections using a similarity theory

NASA Technical Reports Server (NTRS)

Nixon, D.

1978-01-01

A study of the available methods for transonic airfoil and wing design indicates that the most powerful technique is the numerical optimization procedure. However, the computer time for this method is relatively large because of the amount of computation required in the searches during optimization. The optimization method requires that base and calibration solutions be computed to determine a minimum drag direction. The design space is then computationally searched in this direction; it is these searches that dominate the computation time. A recent similarity theory allows certain transonic flows to be calculated rapidly from the base and calibration solutions. In this paper the application of the similarity theory to design problems is examined with the object of at least partially eliminating the costly searches of the design optimization method. An example of an airfoil design is presented.

Algorithms for the computation of solutions of the Ornstein-Zernike equation.

PubMed

Peplow, A T; Beardmore, R E; Bresme, F

2006-10-01

We introduce a robust and efficient methodology to solve the Ornstein-Zernike integral equation using the pseudoarc length (PAL) continuation method that reformulates the integral equation in an equivalent but nonstandard form. This enables the computation of solutions in regions where the compressibility experiences large changes or where the existence of multiple solutions and so-called branch points prevents Newton's method from converging. We illustrate the use of the algorithm with a difficult problem that arises in the numerical solution of integral equations, namely the evaluation of the so-called no-solution line of the Ornstein-Zernike hypernetted chain (HNC) integral equation for the Lennard-Jones potential. We are able to use the PAL algorithm to solve the integral equation along this line and to connect physical and nonphysical solution branches (both isotherms and isochores) where appropriate. We also show that PAL continuation can compute solutions within the no-solution region that cannot be computed when Newton and Picard methods are applied directly to the integral equation. While many solutions that we find are new, some correspond to states with negative compressibility and consequently are not physical.

The sensitivity of direct faecal examination, direct faecal flotation, modified centrifugal faecal flotation and centrifugal sedimentation/flotation in the diagnosis of canine spirocercosis.

PubMed

Christie, J; Schwan, E V; Bodenstein, L L; Sommerville, J E M; van der Merwe, L L

2011-06-01

Several faecal examination techniques have shown variable sensitivity in demonstrating Spirocerca lupi (S. lupi) eggs. The objective of this study was to determine which faecal examination technique, including a novel modified centrifugal flotation technique, was most sensitive to diagnose spirocercosis. Ten coproscopic examinations were performed on faeces collected from 33 dogs confirmed endoscopically to have spirocercosis. The tests included a direct faecal examination, a faecal sedimentation/flotation test, 4 direct faecal flotations and 4 modified faecal centrifugal flotations. These latter 2 flotation tests utilised 4 different faecal flotation solutions: NaNO3 (SG 1.22), MgSO4 (SG 1.29), ZnSO4 (SG 1.30) and sugar (SG 1.27). The sensitivity of the tests ranged between 42% and 67%, with the NaNO3 solution showing the highest sensitivity in both the direct and modified-centrifugal flotations. The modified NaNO3 centrifugal method ranked 1st with the highest mean egg count (45.24 +/- 83), and was superior (i.e. higher egg count) and significantly different (P < 0.05) compared with the routine saturated sugar, ZnSO4 and MgSO4 flotation methods. The routine NaNO3 flotation method was also superior and significantly different (P < 0.05) compared with the routine ZnSO4 and MgSO4 flotation methods. Fifteen per cent (n = 5) of dogs had neoplastic oesophageal nodules and a further 18% (n = 6) had both neoplastic and non-neoplastic nodules. S. lupi eggs were demonstrated in 40% of dogs with neoplastic nodules only and 72.9% of the dogs with non-neoplastic nodules. The mean egg count in the non-neoplastic group (61) was statistically greater (P = 0.02) than that of the neoplastic group (1). The results show that faecal examination using a NaNO3 solution is the most sensitive in the diagnosis of spirocercosis. The modified centrifugal flotation faecal method using this solution has the highest egg count. The study also found that dogs with neoplastic nodules shed significantly fewer eggs than dogs with non-neoplastic nodules.

Gold Nanoparticles Used as Protein Scavengers Enhance Surface Plasmon Resonance Signal

PubMed Central

Ferreira de Macedo, Erenildo; Ducatti Formaggio, Daniela Maria; Salles Santos, Nivia; Batista Tada, Dayane

2017-01-01

Although several researchers had reported on methodologies for surface plasmon resonance (SPR) signal amplification based on the use of nanoparticles (NPs), the majority addressed the sandwich technique and low protein concentration. In this work, a different approach for SPR signal enhancement based on the use of gold NPs was evaluated. The method was used in the detection of two lectins, peanut agglutinin (PNA) and concanavalin A (ConA). Gold NPs were functionalized with antibodies anti-PNA and anti-ConA, and these NPs were used as protein scavengers in a solution. After being incubated with solutions of PNA or ConA, the gold NPs coupled with the collected lectins were injected on the sensor containing the immobilized antibodies. The signal amplification provided by this method was compared to the signal amplification provided by the direct coupling of PNA and ConA to gold NPs. Furthermore, both methods, direct coupling and gold NPs as protein scavengers, were compared to the direct detection of PNA and ConA in solution. Compared to the analysis of free protein, the direct coupling of PNA and ConA to gold NPs resulted in a signal amplification of 10–40-fold and a 13-fold decrease of the limit of detection (LOD), whereas the use of gold NPs as protein scavengers resulted in an SPR signal 40–50-times higher and an LOD 64-times lower. PMID:29186024

Investigation of chemical modifiers for the direct determination of arsenic in fish oil using high-resolution continuum source graphite furnace atomic absorption spectrometry.

PubMed

Pereira, Éderson R; de Almeida, Tarcísio S; Borges, Daniel L G; Carasek, Eduardo; Welz, Bernhard; Feldmann, Jörg; Campo Menoyo, Javier Del

2016-04-01

High-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS GF AAS) has been applied for the development of a method for the determination of total As in fish oil samples using direct analysis. The method does not use any sample pretreatment, besides dilution with 1-propanole, in order to decrease the oil viscosity. The stability and sensitivity of As were evaluated using ruthenium and iridium as permanent chemical modifiers and palladium added in solution over the sample. The best results were obtained with ruthenium as the permanent modifier and palladium in solution added to samples and standard solutions. Under these conditions, aqueous standard solutions could be used for calibration for the fish oil samples diluted with 1-propanole. The pyrolysis and atomization temperatures were 1400 °C and 2300 °C, respectively, and the limit of detection and characteristic mass were 30 pg and 43 pg, respectively. Accuracy and precision of the method have been evaluated using microwave-assisted acid digestion of the samples with subsequent determination by HR-CS GF AAS and ICP-MS; the results were in agreement (95% confidence level) with those of the proposed method. Copyright © 2015 Elsevier B.V. All rights reserved.

Solving complex photocycle kinetics. Theory and direct method.

PubMed Central

Nagle, J F

1991-01-01

A direct nonlinear least squares method is described that obtains the true kinetic rate constants and the temperature-independent spectra of n intermediates from spectroscopic data taken in the visible at three or more temperatures. A theoretical analysis, which is independent of implementation of the direct method, proves that well determined local solutions are not possible for fewer than three temperatures. This analysis also proves that measurements at more than n wavelengths are redundant, although the direct method indicates that convergence is faster if n + m wavelengths are measured, where m is of order one. This suggests that measurements should concentrate on high precision for a few measuring wavelengths, rather than lower precision for many wavelengths. Globally, false solutions occur, and the ability to reject these depends upon the precision of the data, as shown by explicit example. An optimized way to analyze vibrational spectroscopic data is also presented. Such data yield unique results, which are comparably accurate to those obtained from data taken in the visible with comparable noise. It is discussed how use of both kinds of data is advantageous if the data taken in the visible are significantly less noisy. PMID:2009362

A new methodology for quantifying the impact of water repellency on the filtering function of soils

NASA Astrophysics Data System (ADS)

Müller, Karin; Deurer, Markus; Kawamoto, Ken; Hiradate, Syuntaro; Komatsu, Toshiko; Clothier, Brent

2014-05-01

Soils deliver a range of ecosystem services, and some of the most valuable relate to the regulating services resulting from the buffering and filtering of solutes by soil. However, it is commonly accepted that soil water repellency (SWR) can lead to finger flow and preferential flow. Yet, there have been few attempts to quantify the impact of such flow phenomena on the buffering and filtering of solutes. No method is available to quantify directly how SWR affects the transport of reactive solutes. We have closed this gap and developed a new method for quantifying solute transport by novel experiments with water-repellent soils. It involves sequentially applying two liquids, one water, and the other a reference fully wetting liquid, namely, aqueous ethanol, to the same intact soil core with air-drying between the application of the two liquids. Our results highlight that sorption experiments are necessary to complement our new method to ascertain directly the impact of SWR on the filtering of a solute. We conducted transport and sorption experiments, by applying our new method, with the herbicide 2,4-Dichlorophenoxyacetic acid and two Andosol top-soils; one from Japan and the other one from New Zealand. Breakthrough curves from the water experiments were characterized by preferential flow with high initial concentrations, tailing and a long prevalence of solutes remaining in the soil. Our results clearly demonstrate and quantify the impact of SWR on the leaching of this herbicide. This technique for quantifying the reduction of the soil's filtering efficiency by SWR enables assessment of the increased risk of groundwater contamination by solutes exogenously applied to water-repellent soils.

Calculation of unsteady airfoil loads with and without flap deflection at -90 degrees incidence

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1991-01-01

A method has been developed for calculating the viscous flow about airfoils with and without deflected flaps at -90 deg incidence. This unique method provides for the direct solution of the incompressible Navier-Stokes equations by means of a fully coupled implicit technique. The solution is calculated on a body-fitted computational mesh incorporating a staggered grid method. The vorticity is determined at the node points, and the velocity components are defined at the mesh-cell sides. The staggered-grid orientation provides for accurate representation of vorticity at the node points and for the conservation of mass at the mesh-cell centers. The method provides for the direct solution of the flow field and satisfies the conservation of mass to machine zero at each time-step. The results of the present analysis and experimental results obtained for a XV-15 airfoil are compared. The comparisons indicate that the calculated drag reduction caused by flap deflection and the calculated average surface pressure are in excellent agreement with the measured results. Comparisons of the numerical results of the present method for several airfoils demonstrate the significant influence of airfoil curvature and flap deflection on the predicted download.

New Technique of High-Performance Torque Control Developed for Induction Machines

NASA Technical Reports Server (NTRS)

Kenny, Barbara H.

2003-01-01

Two forms of high-performance torque control for motor drives have been described in the literature: field orientation control and direct torque control. Field orientation control has been the method of choice for previous NASA electromechanical actuator research efforts with induction motors. Direct torque control has the potential to offer some advantages over field orientation, including ease of implementation and faster response. However, the most common form of direct torque control is not suitable for the highspeed, low-stator-flux linkage induction machines designed for electromechanical actuators with the presently available sample rates of digital control systems (higher sample rates are required). In addition, this form of direct torque control is not suitable for the addition of a high-frequency carrier signal necessary for the "self-sensing" (sensorless) position estimation technique. This technique enables low- and zero-speed position sensorless operation of the machine. Sensorless operation is desirable to reduce the number of necessary feedback signals and transducers, thus improving the reliability and reducing the mass and volume of the system. This research was directed at developing an alternative form of direct torque control known as a "deadbeat," or inverse model, solution. This form uses pulse-width modulation of the voltage applied to the machine, thus reducing the necessary sample and switching frequency for the high-speed NASA motor. In addition, the structure of the deadbeat form allows the addition of the high-frequency carrier signal so that low- and zero-speed sensorless operation is possible. The new deadbeat solution is based on using the stator and rotor flux as state variables. This choice of state variables leads to a simple graphical representation of the solution as the intersection of a constant torque line with a constant stator flux circle. Previous solutions have been expressed only in complex mathematical terms without a method to clearly visualize the solution. The graphical technique allows a more insightful understanding of the operation of the machine under various conditions.

3D structure of individual nanocrystals in solution by electron microscopy

NASA Astrophysics Data System (ADS)

Park, Jungwon; Elmlund, Hans; Ercius, Peter; Yuk, Jong Min; Limmer, David T.; Chen, Qian; Kim, Kwanpyo; Han, Sang Hoon; Weitz, David A.; Zettl, A.; Alivisatos, A. Paul

2015-07-01

Knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unordered nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.

Regulation of Renewable Energy Sources to Optimal Power Flow Solutions Using ADMM

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

Dall-Anese, Emiliano; Zhang, Yijian; Hong, Mingyi

This paper considers power distribution systems featuring renewable energy sources (RESs), and develops a distributed optimization method to steer the RES output powers to solutions of AC optimal power flow (OPF) problems. The design of the proposed method leverages suitable linear approximations of the AC-power flow equations, and is based on the Alternating Direction Method of Multipliers (ADMM). Convergence of the RES-inverter output powers to solutions of the OPF problem is established under suitable conditions on the stepsize as well as mismatches between the commanded setpoints and actual RES output powers. In a broad sense, the methods and results proposedmore » here are also applicable to other distributed optimization problem setups with ADMM and inexact dual updates.« less

A mixed-mode crack analysis of isotropic solids using conservation laws of elasticity

NASA Technical Reports Server (NTRS)

Yau, J. F.; Wang, S. S.; Corten, H. T.

1980-01-01

A simple and convenient method of analysis for studying two-dimensional mixed-mode crack problems is presented. The analysis is formulated on the basis of conservation laws of elasticity and of fundamental relationships in fracture mechanics. The problem is reduced to the determination of mixed-mode stress-intensity factor solutions in terms of conservation integrals involving known auxiliary solutions. One of the salient features of the present analysis is that the stress-intensity solutions can be determined directly by using information extracted in the far field. Several examples with solutions available in the literature are solved to examine the accuracy and other characteristics of the current approach. This method is demonstrated to be superior in its numerical simplicity and computational efficiency to other approaches. Solutions of more complicated and practical engineering fracture problems dealing with the crack emanating from a circular hole are presented also to illustrate the capacity of this method

Advances in mixed-integer programming methods for chemical production scheduling.

PubMed

Velez, Sara; Maravelias, Christos T

2014-01-01

The goal of this paper is to critically review advances in the area of chemical production scheduling over the past three decades and then present two recently proposed solution methods that have led to dramatic computational enhancements. First, we present a general framework and problem classification and discuss modeling and solution methods with an emphasis on mixed-integer programming (MIP) techniques. Second, we present two solution methods: (a) a constraint propagation algorithm that allows us to compute parameters that are then used to tighten MIP scheduling models and (b) a reformulation that introduces new variables, thus leading to effective branching. We also present computational results and an example illustrating how these methods are implemented, as well as the resulting enhancements. We close with a discussion of open research challenges and future research directions.

ICASE/LaRC Workshop on Adaptive Grid Methods

NASA Technical Reports Server (NTRS)

South, Jerry C., Jr. (Editor); Thomas, James L. (Editor); Vanrosendale, John (Editor)

1995-01-01

Solution-adaptive grid techniques are essential to the attainment of practical, user friendly, computational fluid dynamics (CFD) applications. In this three-day workshop, experts gathered together to describe state-of-the-art methods in solution-adaptive grid refinement, analysis, and implementation; to assess the current practice; and to discuss future needs and directions for research. This was accomplished through a series of invited and contributed papers. The workshop focused on a set of two-dimensional test cases designed by the organizers to aid in assessing the current state of development of adaptive grid technology. In addition, a panel of experts from universities, industry, and government research laboratories discussed their views of needs and future directions in this field.

Nature of fluid flows in differentially heated cylindrical container filled with a stratified solution

NASA Technical Reports Server (NTRS)

Wang, Jai-Ching

1992-01-01

Semiconductor crystals such as Hg(1-x)Cd(x)Te grown by unidirectional solidification Bridgmann method have shown compositional segregations in both the axial and radial directions. Due to the wide separation between the liquidus and the solidus of its pseudobinary phase diagram, there is a diffusion layer of higher HgTe content built up in the melt near the melt-solid interface which gives a solute concentration gradient in the axial direction. Because of the higher thermal conductivity in the melt than that in the crystal there is a thermal leakage through the fused silica crucible wall near the melt-solid interface. This gives a thermal gradient in the radial direction. Hart (1971), Thorpe, Hutt and Soulsby (1969) have shown that under such condition a fluid will become convectively unstable as a result of different diffusivities of temperature and solute. It is quite important to understand the effects of this thermosolute convection on the compositional segregation in the unidirectionally solidified crystals. To reach this goal, we start with a simplified problem. We study the nature of fluid flows of a stratified solution in a cylindrical container with a radial temperature gradient. The cylindrical container wall is considered to be maintained at a higher temperature than that at the center of the solution and the solution in the lower gravitational direction has higher solute concentration which decrease linearly to a lower concentration and then remain constant to the top of the solution. The sample solution is taken to be salt water.

A new modification in the exponential rational function method for nonlinear fractional differential equations

NASA Astrophysics Data System (ADS)

Ahmed, Naveed; Bibi, Sadaf; Khan, Umar; Mohyud-Din, Syed Tauseef

2018-02-01

We have modified the traditional exponential rational function method (ERFM) and have used it to find the exact solutions of two different fractional partial differential equations, one is the time fractional Boussinesq equation and the other is the (2+1)-dimensional time fractional Zoomeron equation. In both the cases it is observed that the modified scheme provides more types of solutions than the traditional one. Moreover, a comparison of the recent solutions is made with some already existing solutions. We can confidently conclude that the modified scheme works better and provides more types of solutions with almost similar computational cost. Our generalized solutions include periodic, soliton-like, singular soliton and kink solutions. A graphical simulation of all types of solutions is provided and the correctness of the solution is verified by direct substitution. The extended version of the solutions is expected to provide more flexibility to scientists working in the relevant field to test their simulation data.

σ-SCF: A direct energy-targeting method to mean-field excited states

NASA Astrophysics Data System (ADS)

Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D.; Van Voorhis, Troy

2017-12-01

The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry—a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states—ground or excited—are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H2, HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

σ-SCF: A direct energy-targeting method to mean-field excited states.

PubMed

Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D; Van Voorhis, Troy

2017-12-07

The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry-a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states-ground or excited-are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H 2 , HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

Two-dimensional fracture analysis of piezoelectric material based on the scaled boundary node method

NASA Astrophysics Data System (ADS)

Shen-Shen, Chen; Juan, Wang; Qing-Hua, Li

2016-04-01

A scaled boundary node method (SBNM) is developed for two-dimensional fracture analysis of piezoelectric material, which allows the stress and electric displacement intensity factors to be calculated directly and accurately. As a boundary-type meshless method, the SBNM employs the moving Kriging (MK) interpolation technique to an approximate unknown field in the circumferential direction and therefore only a set of scattered nodes are required to discretize the boundary. As the shape functions satisfy Kronecker delta property, no special techniques are required to impose the essential boundary conditions. In the radial direction, the SBNM seeks analytical solutions by making use of analytical techniques available to solve ordinary differential equations. Numerical examples are investigated and satisfactory solutions are obtained, which validates the accuracy and simplicity of the proposed approach. Project supported by the National Natural Science Foundation of China (Grant Nos. 11462006 and 21466012), the Foundation of Jiangxi Provincial Educational Committee, China (Grant No. KJLD14041), and the Foundation of East China Jiaotong University, China (Grant No. 09130020).

Determination of matrix composition based on solute-solute nearest-neighbor distances in atom probe tomography.

PubMed

De Geuser, F; Lefebvre, W

2011-03-01

In this study, we propose a fast automatic method providing the matrix concentration in an atom probe tomography (APT) data set containing two phases or more. The principle of this method relies on the calculation of the relative amount of isolated solute atoms (i.e., not surrounded by a similar solute atom) as a function of a distance d in the APT reconstruction. Simulated data sets have been generated to test the robustness of this new tool and demonstrate that rapid and reproducible results can be obtained without the need of any user input parameter. The method has then been successfully applied to a ternary Al-Zn-Mg alloy containing a fine dispersion of hardening precipitates. The relevance of this method for direct estimation of matrix concentration is discussed and compared with the existing methodologies. Copyright © 2010 Wiley-Liss, Inc.

Numerical method for the solution of large systems of differential equations of the boundary layer type

NASA Technical Reports Server (NTRS)

Green, M. J.; Nachtsheim, P. R.

1972-01-01

A numerical method for the solution of large systems of nonlinear differential equations of the boundary-layer type is described. The method is a modification of the technique for satisfying asymptotic boundary conditions. The present method employs inverse interpolation instead of the Newton method to adjust the initial conditions of the related initial-value problem. This eliminates the so-called perturbation equations. The elimination of the perturbation equations not only reduces the user's preliminary work in the application of the method, but also reduces the number of time-consuming initial-value problems to be numerically solved at each iteration. For further ease of application, the solution of the overdetermined system for the unknown initial conditions is obtained automatically by applying Golub's linear least-squares algorithm. The relative ease of application of the proposed numerical method increases directly as the order of the differential-equation system increases. Hence, the method is especially attractive for the solution of large-order systems. After the method is described, it is applied to a fifth-order problem from boundary-layer theory.

Solution of the mean spherical approximation for polydisperse multi-Yukawa hard-sphere fluid mixture using orthogonal polynomial expansions

NASA Astrophysics Data System (ADS)

Kalyuzhnyi, Yurij V.; Cummings, Peter T.

2006-03-01

The Blum-Høye [J. Stat. Phys. 19 317 (1978)] solution of the mean spherical approximation for a multicomponent multi-Yukawa hard-sphere fluid is extended to a polydisperse multi-Yukawa hard-sphere fluid. Our extension is based on the application of the orthogonal polynomial expansion method of Lado [Phys. Rev. E 54, 4411 (1996)]. Closed form analytical expressions for the structural and thermodynamic properties of the model are presented. They are given in terms of the parameters that follow directly from the solution. By way of illustration the method of solution is applied to describe the thermodynamic properties of the one- and two-Yukawa versions of the model.

Real-time monitoring of the solution concentration variation during the crystallization process of protein-lysozyme by using digital holographic interferometry.

PubMed

Zhang, Yanyan; Zhao, Jianlin; Di, Jianglei; Jiang, Hongzhen; Wang, Qian; Wang, Jun; Guo, Yunzhu; Yin, Dachuan

2012-07-30

We report a real-time measurement method of the solution concentration variation during the growth of protein-lysozyme crystals based on digital holographic interferometry. A series of holograms containing the information of the solution concentration variation in the whole crystallization process is recorded by CCD. Based on the principle of double-exposure holographic interferometry and the relationship between the phase difference of the reconstructed object wave and the solution concentration, the solution concentration variation with time for arbitrary point in the solution can be obtained, and then the two-dimensional concentration distribution of the solution during crystallization process can also be figured out under the precondition which the refractive index is constant through the light propagation direction. The experimental results turns out that it is feasible to in situ, full-field and real-time monitor the crystal growth process by using this method.

Piping benchmark problems. Volume 1. Dynamic analysis uniform support motion response spectrum method

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

Bezler, P.; Hartzman, M.; Reich, M.

1980-08-01

A set of benchmark problems and solutions have been developed for verifying the adequacy of computer programs used for dynamic analysis and design of nuclear piping systems by the Response Spectrum Method. The problems range from simple to complex configurations which are assumed to experience linear elastic behavior. The dynamic loading is represented by uniform support motion, assumed to be induced by seismic excitation in three spatial directions. The solutions consist of frequencies, participation factors, nodal displacement components and internal force and moment components. Solutions to associated anchor point motion static problems are not included.

A 3-D Coupled CFD-DSMC Solution Method With Application to the Mars Sample Return Orbiter

NASA Technical Reports Server (NTRS)

Glass, Christopher E.; Gnoffo, Peter A.

2000-01-01

A method to obtain coupled Computational Fluid Dynamics-Direct Simulation Monte Carlo (CFD-DSMC), 3-D flow field solutions for highly blunt bodies at low incidence is presented and applied to one concept of the Mars Sample Return Orbiter vehicle as a demonstration of the technique. CFD is used to solve the high-density blunt forebody flow defining an inflow boundary condition for a DSMC solution of the afterbody wake flow. By combining the two techniques in flow regions where most applicable, the entire mixed flow field is modeled in an appropriate manner.

Orientation of doubly rotated quartz plates.

PubMed

Sherman, J R

1989-01-01

A derivation from classical spherical trigonometry of equations to compute the orientation of doubly-rotated quartz blanks from Bragg X-ray data is discussed. These are usually derived by compact and efficient vector methods, which are reviewed briefly. They are solved by generating a quadratic equation with numerical coefficients. Two methods exist for performing the computation from measurements against two planes: a direct solution by a quadratic equation and a process of convergent iteration. Both have a spurious solution. Measurement against three lattice planes yields a set of three linear equations the solution of which is an unambiguous result.

A complete analytical solution for the inverse instantaneous kinematics of a spherical-revolute-spherical (7R) redundant manipulator

NASA Technical Reports Server (NTRS)

Podhorodeski, R. P.; Fenton, R. G.; Goldenberg, A. A.

1989-01-01

Using a method based upon resolving joint velocities using reciprocal screw quantities, compact analytical expressions are generated for the inverse solution of the joint rates of a seven revolute (spherical-revolute-spherical) manipulator. The method uses a sequential decomposition of screw coordinates to identify reciprocal screw quantities used in the resolution of a particular joint rate solution, and also to identify a Jacobian null-space basis used for the direct solution of optimal joint rates. The results of the screw decomposition are used to study special configurations of the manipulator, generating expressions for the inverse velocity solution for all non-singular configurations of the manipulator, and identifying singular configurations and their characteristics. Two functions are therefore served: a new general method for the solution of the inverse velocity problem is presented; and complete analytical expressions are derived for the resolution of the joint rates of a seven degree of freedom manipulator useful for telerobotic and industrial robotic application.

A numerical study of the 3-periodic wave solutions to KdV-type equations

NASA Astrophysics Data System (ADS)

Zhang, Yingnan; Hu, Xingbiao; Sun, Jianqing

2018-02-01

In this paper, by using the direct method of calculating periodic wave solutions proposed by Akira Nakamura, we present a numerical process to calculate the 3-periodic wave solutions to several KdV-type equations: the Korteweg-de Vries equation, the Sawada-Koterra equation, the Boussinesq equation, the Ito equation, the Hietarinta equation and the (2 + 1)-dimensional Kadomtsev-Petviashvili equation. Some detailed numerical examples are given to show the existence of the three-periodic wave solutions numerically.

Trajectory Optimization Using Adjoint Method and Chebyshev Polynomial Approximation for Minimizing Fuel Consumption During Climb

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.; Hornby, Gregory; Ishihara, Abe

2013-01-01

This paper describes two methods of trajectory optimization to obtain an optimal trajectory of minimum-fuel- to-climb for an aircraft. The first method is based on the adjoint method, and the second method is based on a direct trajectory optimization method using a Chebyshev polynomial approximation and cubic spine approximation. The approximate optimal trajectory will be compared with the adjoint-based optimal trajectory which is considered as the true optimal solution of the trajectory optimization problem. The adjoint-based optimization problem leads to a singular optimal control solution which results in a bang-singular-bang optimal control.

Quantifying the brush structure and assembly of mixed brush nanoparticles in solution

NASA Astrophysics Data System (ADS)

Koski, Jason; Frischknecht, Amalie

The arrangement of nanoparticles in a polymer melt or solution is critical to the resulting material properties. A common strategy to control the distribution of nanoparticles is to graft polymer chains onto the surface of the nanoparticles. An emerging strategy to further control the arrangement of nanoparticles is to graft polymer chains of different types and/or different lengths onto the surface of the nanoparticle, though this considerably increases the parameter space needed to describe the system. Theoretical models that are capable of predicting the assembly of nanoparticles in a melt or solution are thus desirable to guide experiments. In this talk, I will describe a recently developed non-equilibrium method that is appealing in its ability to tractably account for fluctuations and that can directly relate to experiments. To showcase the utility of this method, I apply it to mixed brush grafted nanoparticles in solution where fluctuations are prominent. Specifically, I investigate the role of experimentally relevant parameters on the structure of the brush and the corresponding effects on the assembly of the nanoparticles in solution. These results can be directly linked to experiments to help narrow the relevant parameter space for optimizing these materials.

Application of chiral critical clusters to assymetric synthesis

DOEpatents

Ferrieri, Richard A.

2002-01-01

Disclosed is a composition, a method of making and a method of using critical clusters for asymmetric synthesis using substantially optically-pure chiral solvent molecules in a supercritical fluid. The solvent molecules are capable of forming a multipoint hydrogen bonded solvate as they encage at least one solute molecule. The encaged solute molecule is capable of reacting to form an optically active chiral center. In another aspect, there is disclosed a method of directing the position of bonding between a solute molecule and a ligand involving encaging the solute molecule and the ligand with polar solvent molecules in a supercritical fluid under conditions of temperature and pressure sufficient to change electric charge distribution in the solute molecule. In yet another aspect, disclosed is a method of making pharmaceutical compounds involving encaging a solute molecule, which is capable of forming a chiral center, and a ligand with polar solvent molecules in a supercritical fluid under conditions of temperature and pressure sufficient to change electric charge distribution of the solute molecule. The solute molecule and ligand are then reacted whereby the ligand bonds to the solute molecule forming a chiral center. Also disclosed is a method for racemic resolution using critical clusters involving encaging racemic mixtures of solute molecules with substantially optically-pure chiral solvent molecules in a supercritical fluid under conditions of temperature and pressure sufficient to form critical clusters. The solvent molecules are capable of multipoint hydrogen bonding with the solute molecules. The encaged solute molecules are then nonenzymatically reacted to enhance the optical purity of the solute molecules.

Dynamic analysis of a magnetic bearing system with flux control

NASA Technical Reports Server (NTRS)

Knight, Josiah; Walsh, Thomas; Virgin, Lawrence

1994-01-01

Using measured values of two-dimensional forces in a magnetic actuator, equations of motion for an active magnetic bearing are presented. The presence of geometric coupling between coordinate directions causes the equations of motion to be nonlinear. Two methods are used to examine the unbalance response of the system: simulation by direct integration in time; and determination of approximate steady state solutions by harmonic balance. For relatively large values of the derivative control coefficient, the system behaves in an essentially linear manner, but for lower values of this parameter, or for higher values of the coupling coefficient, the response shows a split of amplitudes in the two principal directions. This bifurcation is sensitive to initial conditions. The harmonic balance solution shows that the separation of amplitudes actually corresponds to a change in stability of multiple coexisting solutions.

A combined direct/inverse three-dimensional transonic wing design method for vector computers

NASA Technical Reports Server (NTRS)

Weed, R. A.; Carlson, L. A.; Anderson, W. K.

1984-01-01

A three-dimensional transonic-wing design algorithm for vector computers is developed, and the results of sample computations are presented graphically. The method incorporates the direct/inverse scheme of Carlson (1975), a Cartesian grid system with boundary conditions applied at a mean plane, and a potential-flow solver based on the conservative form of the full potential equation and using the ZEBRA II vectorizable solution algorithm of South et al. (1980). The accuracy and consistency of the method with regard to direct and inverse analysis and trailing-edge closure are verified in the test computations.

On the wall-normal velocity of the compressible boundary-layer equations

NASA Technical Reports Server (NTRS)

Pruett, C. David

1991-01-01

Numerical methods for the compressible boundary-layer equations are facilitated by transformation from the physical (x,y) plane to a computational (xi,eta) plane in which the evolution of the flow is 'slow' in the time-like xi direction. The commonly used Levy-Lees transformation results in a computationally well-behaved problem for a wide class of non-similar boundary-layer flows, but it complicates interpretation of the solution in physical space. Specifically, the transformation is inherently nonlinear, and the physical wall-normal velocity is transformed out of the problem and is not readily recovered. In light of recent research which shows mean-flow non-parallelism to significantly influence the stability of high-speed compressible flows, the contribution of the wall-normal velocity in the analysis of stability should not be routinely neglected. Conventional methods extract the wall-normal velocity in physical space from the continuity equation, using finite-difference techniques and interpolation procedures. The present spectrally-accurate method extracts the wall-normal velocity directly from the transformation itself, without interpolation, leaving the continuity equation free as a check on the quality of the solution. The present method for recovering wall-normal velocity, when used in conjunction with a highly-accurate spectral collocation method for solving the compressible boundary-layer equations, results in a discrete solution which is extraordinarily smooth and accurate, and which satisfies the continuity equation nearly to machine precision. These qualities make the method well suited to the computation of the non-parallel mean flows needed by spatial direct numerical simulations (DNS) and parabolized stability equation (PSE) approaches to the analysis of stability.

Upscaling of Solute Transport in Heterogeneous Media with Non-uniform Flow and Dispersion Fields

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

Xu, Zhijie; Meakin, Paul

2013-10-01

An analytical and computational model for non-reactive solute transport in periodic heterogeneous media with arbitrary non-uniform flow and dispersion fields within the unit cell of length ε is described. The model lumps the effect of non-uniform flow and dispersion into an effective advection velocity Ve and an effective dispersion coefficient De. It is shown that both Ve and De are scale-dependent (dependent on the length scale of the microscopic heterogeneity, ε), dependent on the Péclet number Pe, and on a dimensionless parameter α that represents the effects of microscopic heterogeneity. The parameter α, confined to the range of [-0.5, 0.5]more » for the numerical example presented, depends on the flow direction and non-uniform flow and dispersion fields. Effective advection velocity Ve and dispersion coefficient De can be derived for any given flow and dispersion fields, and . Homogenized solutions describing the macroscopic variations can be obtained from the effective model. Solutions with sub-unit-cell accuracy can be constructed by homogenized solutions and its spatial derivatives. A numerical implementation of the model compared with direct numerical solutions using a fine grid, demonstrated that the new method was in good agreement with direct solutions, but with significant computational savings.« less

Microrheology with optical tweezers: measuring the relative viscosity of solutions 'at a glance'.

PubMed

Tassieri, Manlio; Del Giudice, Francesco; Robertson, Emma J; Jain, Neena; Fries, Bettina; Wilson, Rab; Glidle, Andrew; Greco, Francesco; Netti, Paolo Antonio; Maffettone, Pier Luca; Bicanic, Tihana; Cooper, Jonathan M

2015-03-06

We present a straightforward method for measuring the relative viscosity of fluids via a simple graphical analysis of the normalised position autocorrelation function of an optically trapped bead, without the need of embarking on laborious calculations. The advantages of the proposed microrheology method are evident when it is adopted for measurements of materials whose availability is limited, such as those involved in biological studies. The method has been validated by direct comparison with conventional bulk rheology methods, and has been applied both to characterise synthetic linear polyelectrolytes solutions and to study biomedical samples.

Microrheology with Optical Tweezers: Measuring the relative viscosity of solutions ‘at a glance'

PubMed Central

Tassieri, Manlio; Giudice, Francesco Del; Robertson, Emma J.; Jain, Neena; Fries, Bettina; Wilson, Rab; Glidle, Andrew; Greco, Francesco; Netti, Paolo Antonio; Maffettone, Pier Luca; Bicanic, Tihana; Cooper, Jonathan M.

2015-01-01

We present a straightforward method for measuring the relative viscosity of fluids via a simple graphical analysis of the normalised position autocorrelation function of an optically trapped bead, without the need of embarking on laborious calculations. The advantages of the proposed microrheology method are evident when it is adopted for measurements of materials whose availability is limited, such as those involved in biological studies. The method has been validated by direct comparison with conventional bulk rheology methods, and has been applied both to characterise synthetic linear polyelectrolytes solutions and to study biomedical samples. PMID:25743468

Finite element solution to passive scalar transport behind line sources under neutral and unstable stratification

NASA Astrophysics Data System (ADS)

Liu, Chun-Ho; Leung, Dennis Y. C.

2006-02-01

This study employed a direct numerical simulation (DNS) technique to contrast the plume behaviours and mixing of passive scalar emitted from line sources (aligned with the spanwise direction) in neutrally and unstably stratified open-channel flows. The DNS model was developed using the Galerkin finite element method (FEM) employing trilinear brick elements with equal-order interpolating polynomials that solved the momentum and continuity equations, together with conservation of energy and mass equations in incompressible flow. The second-order accurate fractional-step method was used to handle the implicit velocity-pressure coupling in incompressible flow. It also segregated the solution to the advection and diffusion terms, which were then integrated in time, respectively, by the explicit third-order accurate Runge-Kutta method and the implicit second-order accurate Crank-Nicolson method. The buoyancy term under unstable stratification was integrated in time explicitly by the first-order accurate Euler method. The DNS FEM model calculated the scalar-plume development and the mean plume path. In particular, it calculated the plume meandering in the wall-normal direction under unstable stratification that agreed well with the laboratory and field measurements, as well as previous modelling results available in literature.

Evaluations of cellulose accessibilities of lignocelluloses by solute exclusion and protein adsorption techniques

Treesearch

Q.Q. Wang; Z. He; Z. Zhu; Y.-H.P. Zhang; Y. Ni; X.L. Luo; J.Y. Zhu

2012-01-01

Cellulose accessibilities of a set of hornified lignocellulosic substrates derived by drying the never dried pretreated sample and a set of differently pretreated lodgepople pine substrates, were evaluated using solute exclusion and protein adsorption methods. Direct measurements of cellulase adsorption onto cellulose surface of the set of pretreated substrates were...

Joule Heating and Thermal Denaturation of Proteins in Nano-ESI Theta Tips

NASA Astrophysics Data System (ADS)

Zhao, Feifei; Matt, Sarah M.; Bu, Jiexun; Rehrauer, Owen G.; Ben-Amotz, Dor; McLuckey, Scott A.

2017-10-01

Electro-osmotically induced Joule heating in theta tips and its effect on protein denaturation were investigated. Myoglobin, equine cytochrome c, bovine cytochrome c, and carbonic anhydrase II solutions were subjected to electro-osmosis in a theta tip and all of the proteins were denatured during the process. The extent of protein denaturation was found to increase with the applied square wave voltage and electrolyte concentration. The solution temperature at the end of a theta tip was measured directly by Raman spectroscopy and shown to increase with the square wave voltage, thereby demonstrating the effect of Joule heating through an independent method. The electro-osmosis of a solution comprised of myoglobin, bovine cytochrome c, and ubiquitin demonstrated that the magnitude of Joule heating that causes protein denaturation is positively correlated with protein melting temperature. This allows for a quick determination of a protein's relative thermal stability. This work establishes a fast, novel method for protein conformation manipulation prior to MS analysis and provides a temperature-controllable platform for the study of processes that take place in solution with direct coupling to mass spectrometry. [Figure not available: see fulltext.

3D structure of individual nanocrystals in solution by electron microscopy

DOE PAGES

Park, Jungwok; Elmlund, Hans; Ercius, Peter; ...

2015-07-17

Here, knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unorderedmore » nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.« less

Nanoparticle imaging. 3D structure of individual nanocrystals in solution by electron microscopy.

PubMed

Park, Jungwon; Elmlund, Hans; Ercius, Peter; Yuk, Jong Min; Limmer, David T; Chen, Qian; Kim, Kwanpyo; Han, Sang Hoon; Weitz, David A; Zettl, A; Alivisatos, A Paul

2015-07-17

Knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unordered nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale. Copyright © 2015, American Association for the Advancement of Science.

3D structure of individual nanocrystals in solution by electron microscopy

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

Park, Jungwok; Elmlund, Hans; Ercius, Peter

Here, knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unorderedmore » nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.« less

A mathematical solution for the parameters of three interfering resonances

NASA Astrophysics Data System (ADS)

Han, X.; Shen, C. P.

2018-04-01

The multiple-solution problem in determining the parameters of three interfering resonances from a fit to an experimentally measured distribution is considered from a mathematical viewpoint. It is shown that there are four numerical solutions for a fit with three coherent Breit-Wigner functions. Although explicit analytical formulae cannot be derived in this case, we provide some constraint equations between the four solutions. For the cases of nonrelativistic and relativistic Breit-Wigner forms of amplitude functions, a numerical method is provided to derive the other solutions from that already obtained, based on the obtained constraint equations. In real experimental measurements with more complicated amplitude forms similar to Breit-Wigner functions, the same method can be deduced and performed to get numerical solutions. The good agreement between the solutions found using this mathematical method and those directly from the fit verifies the correctness of the constraint equations and mathematical methodology used. Supported by National Natural Science Foundation of China (NSFC) (11575017, 11761141009), the Ministry of Science and Technology of China (2015CB856701) and the CAS Center for Excellence in Particle Physics (CCEPP)

Direct Retrieval of Exterior Orientation Parameters Using A 2-D Projective Transformation

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

Seedahmed, Gamal H.

2006-09-01

Direct solutions are very attractive because they obviate the need for initial approximations associated with non-linear solutions. The Direct Linear Transformation (DLT) establishes itself as a method of choice for direct solutions in photogrammetry and other fields. The use of the DLT with coplanar object space points leads to a rank deficient model. This rank deficient model leaves the DLT defined up to a 2-D projective transformation, which makes the direct retrieval of the exterior orientation parameters (EOPs) a non-trivial task. This paper presents a novel direct algorithm to retrieve the EOPs from the 2-D projective transformation. It is basedmore » on a direct relationship between the 2-D projective transformation and the collinearity model using homogeneous coordinates representation. This representation offers a direct matrix correspondence between the 2-D projective transformation parameters and the collinearity model parameters. This correspondence lends itself to a direct matrix factorization to retrieve the EOPs. An important step in the proposed algorithm is a normalization process that provides the actual link between the 2-D projective transformation and the collinearity model. This paper explains the theoretical basis of the proposed algorithm as well as the necessary steps for its practical implementation. In addition, numerical examples are provided to demonstrate its validity.« less

Study of viscous flow about airfoils by the integro-differential method

NASA Technical Reports Server (NTRS)

Wu, J. C.; Sampath, S.

1975-01-01

An integro-differential method was used for numerically solving unsteady incompressible viscous flow problems. A computer program was prepared to solve the problem of an impulsively started 9% thick symmetric Joukowski airfoil at an angle of attack of 15 deg and a Reynolds number of 1000. Some of the results obtained for this problem were discussed and compared with related work completed previously. Two numerical procedures were used, an Alternating Direction Implicit (ADI) method and a Successive Line Relaxation (SLR) method. Generally, the ADI solution agrees well with the SLR solution and with previous results are stations away from the trailing edge. At the trailing edge station, the ADI solution differs substantially from previous results, while the vorticity profiles obtained from the SLR method there are in good qualitative agreement with previous results.

Flux-Based Deadbeat Control of Induction-Motor Torque

NASA Technical Reports Server (NTRS)

Kenny, Barbara H.; Lorenz, Robert D.

2003-01-01

An improved method and prior methods of deadbeat direct torque control involve the use of pulse-width modulation (PWM) of applied voltages. The prior methods are based on the use of stator flux and stator current as state variables, leading to mathematical solutions of control equations in forms that do not lend themselves to clear visualization of solution spaces. In contrast, the use of rotor and stator fluxes as the state variables in the present improved method lends itself to graphical representations that aid in understanding possible solutions under various operating conditions. In addition, the present improved method incorporates the superposition of high-frequency carrier signals for use in a motor-self-sensing technique for estimating the rotor shaft angle at any speed (including low or even zero speed) without need for additional shaft-angle-measuring sensors.

Efficient Optimization of Low-Thrust Spacecraft Trajectories

NASA Technical Reports Server (NTRS)

Lee, Seungwon; Fink, Wolfgang; Russell, Ryan; Terrile, Richard; Petropoulos, Anastassios; vonAllmen, Paul

2007-01-01

A paper describes a computationally efficient method of optimizing trajectories of spacecraft driven by propulsion systems that generate low thrusts and, hence, must be operated for long times. A common goal in trajectory-optimization problems is to find minimum-time, minimum-fuel, or Pareto-optimal trajectories (here, Pareto-optimality signifies that no other solutions are superior with respect to both flight time and fuel consumption). The present method utilizes genetic and simulated-annealing algorithms to search for globally Pareto-optimal solutions. These algorithms are implemented in parallel form to reduce computation time. These algorithms are coupled with either of two traditional trajectory- design approaches called "direct" and "indirect." In the direct approach, thrust control is discretized in either arc time or arc length, and the resulting discrete thrust vectors are optimized. The indirect approach involves the primer-vector theory (introduced in 1963), in which the thrust control problem is transformed into a co-state control problem and the initial values of the co-state vector are optimized. In application to two example orbit-transfer problems, this method was found to generate solutions comparable to those of other state-of-the-art trajectory-optimization methods while requiring much less computation time.

An approach for the regularization of a power flow solution around the maximum loading point

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

Kataoka, Y.

1992-08-01

In the conventional power flow solution, the boundary conditions are directly specified by active power and reactive power at each node, so that the singular point coincided with the maximum loading point. For this reason, the computations are often disturbed by ill-condition. This paper proposes a new method for getting the wide-range regularity by giving some modifications to the conventional power flow solution method, thereby eliminating the singular point or shifting it to the region with the voltage lower than that of the maximum loading point. Then, the continuous execution of V-P curves including maximum loading point is realized. Themore » efficiency and effectiveness of the method are tested in practical 598-nodes system in comparison with the conventional method.« less

Four methods of attitude determination for spin-stabilized spacecraft with applications and comparative results

NASA Technical Reports Server (NTRS)

Smith, G. A.

1975-01-01

The attitude of a spacecraft is determined by specifying independent parameters which relate the spacecraft axes to an inertial coordinate system. Sensors which measure angles between spin axis and other vectors directed to objects or fields external to the spacecraft are discussed. For the spin-stabilized spacecraft considered, the spin axis is constant over at least an orbit, but separate solutions based on sensor angle measurements are different due to propagation of errors. Sensor-angle solution methods are described which minimize the propagated errors by making use of least squares techniques over many sensor angle measurements and by solving explicitly (in closed form) for the spin axis coordinates. These methods are compared with star observation solutions to determine if satisfactory accuracy is obtained by each method.

Direct-Solve Image-Based Wavefront Sensing

NASA Technical Reports Server (NTRS)

Lyon, Richard G.

2009-01-01

A method of wavefront sensing (more precisely characterized as a method of determining the deviation of a wavefront from a nominal figure) has been invented as an improved means of assessing the performance of an optical system as affected by such imperfections as misalignments, design errors, and fabrication errors. The method is implemented by software running on a single-processor computer that is connected, via a suitable interface, to the image sensor (typically, a charge-coupled device) in the system under test. The software collects a digitized single image from the image sensor. The image is displayed on a computer monitor. The software directly solves for the wavefront in a time interval of a fraction of a second. A picture of the wavefront is displayed. The solution process involves, among other things, fast Fourier transforms. It has been reported to the effect that some measure of the wavefront is decomposed into modes of the optical system under test, but it has not been reported whether this decomposition is postprocessing of the solution or part of the solution process.

Interior-Point Methods for Linear Programming: A Challenge to the Simplex Method

DTIC Science & Technology

1988-07-01

subsequently found that the method was first proposed by Dikin in 1967 [6]. Search directions are generated by the same system (5). Any hint of quadratic...1982). Inexact Newton methods, SIAM Journal on Numerical Analysis 19, 400-408. [6] I. I. Dikin (1967). Iterative solution of problems of linear and

Ionization of Interstellar Hydrogen

NASA Astrophysics Data System (ADS)

Whang, Y. C.

1996-09-01

Interstellar hydrogen can penetrate through the heliopause, enter the heliosphere, and may become ionized by photoionization and by charge exchange with solar wind protons. A fluid model is introduced to study the flow of interstellar hydrogen in the heliosphere. The flow is governed by moment equations obtained from integration of the Boltzmann equation over the velocity space. Under the assumption that the flow is steady axisymmetric and the pressure is isotropic, we develop a method of solution for this fluid model. This model and the method of solution can be used to study the flow of neutral hydrogen with various forms of ionization rate β and boundary conditions for the flow on the upwind side. We study the solution of a special case in which the ionization rate β is inversely proportional to R2 and the interstellar hydrogen flow is uniform at infinity on the upwind side. We solve the moment equations directly for the normalized density NH/NN∞, bulk velocity VH/VN∞, and temperature TH/TN∞ of interstellar hydrogen as functions of r/λ and z/λ, where λ is the ionization scale length. The solution is compared with the kinetic theory solution of Lallement et al. The fluid solution is much less time-consuming than the kinetic theory solutions. Since the ionization rate for production of pickup protons is directly proportional to the local density of neutral hydrogen, the high-resolution solution of interstellar neutral hydrogen obtained here will be used to study the global distribution of pickup protons.

A two steps solution approach to solving large nonlinear models: application to a problem of conjunctive use.

PubMed

Vieira, J; Cunha, M C

2011-01-01

This article describes a solution method of solving large nonlinear problems in two steps. The two steps solution approach takes advantage of handling smaller and simpler models and having better starting points to improve solution efficiency. The set of nonlinear constraints (named as complicating constraints) which makes the solution of the model rather complex and time consuming is eliminated from step one. The complicating constraints are added only in the second step so that a solution of the complete model is then found. The solution method is applied to a large-scale problem of conjunctive use of surface water and groundwater resources. The results obtained are compared with solutions determined with the direct solve of the complete model in one single step. In all examples the two steps solution approach allowed a significant reduction of the computation time. This potential gain of efficiency of the two steps solution approach can be extremely important for work in progress and it can be particularly useful for cases where the computation time would be a critical factor for having an optimized solution in due time.

Comparison of viscous-shock-layer solutions by time-asymptotic and steady-state methods. [flow distribution around a Jupiter entry probe

NASA Technical Reports Server (NTRS)

Gupta, R. N.; Moss, J. N.; Simmonds, A. L.

1982-01-01

Two flow-field codes employing the time- and space-marching numerical techniques were evaluated. Both methods were used to analyze the flow field around a massively blown Jupiter entry probe under perfect-gas conditions. In order to obtain a direct point-by-point comparison, the computations were made by using identical grids and turbulence models. For the same degree of accuracy, the space-marching scheme takes much less time as compared to the time-marching method and would appear to provide accurate results for the problems with nonequilibrium chemistry, free from the effect of local differences in time on the final solution which is inherent in time-marching methods. With the time-marching method, however, the solutions are obtainable for the realistic entry probe shapes with massive or uniform surface blowing rates; whereas, with the space-marching technique, it is difficult to obtain converged solutions for such flow conditions. The choice of the numerical method is, therefore, problem dependent. Both methods give equally good results for the cases where results are compared with experimental data.

Saving time and energy with oversubscription and semi-direct Møller-Plesset second order perturbation methods.

PubMed

Fought, Ellie L; Sundriyal, Vaibhav; Sosonkina, Masha; Windus, Theresa L

2017-04-30

In this work, the effect of oversubscription is evaluated, via calling 2n, 3n, or 4n processes for n physical cores, on semi-direct MP2 energy and gradient calculations and RI-MP2 energy calculations with the cc-pVTZ basis using NWChem. Results indicate that on both Intel and AMD platforms, oversubscription reduces total time to solution on average for semi-direct MP2 energy calculations by 25-45% and reduces total energy consumed by the CPU and DRAM on average by 10-15% on the Intel platform. Semi-direct gradient time to solution is shortened on average by 8-15% and energy consumption is decreased by 5-10%. Linear regression analysis shows a strong correlation between time to solution and total energy consumed. Oversubscribing during RI-MP2 calculations results in performance degradations of 30-50% at the 4n level. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Plating Processes Utilizing High Intensity Acoustic Beams

NASA Technical Reports Server (NTRS)

Oeftering, Richard C. (Inventor); Denofrio, Charles (Inventor)

2002-01-01

A system and a method for selective plating processes are disclosed which use directed beams of high intensity acoustic waves to create non-linear effects that alter and improve the plating process. The directed beams are focused on the surface of an object, which in one embodiment is immersed in a plating solution, and in another embodiment is suspended above a plating solution. The plating processes provide precise control of the thickness of the layers of the plating, while at the same time, in at least some incidents, eliminates the need for masking.

Alternating Direction Implicit (ADI) schemes for a PDE-based image osmosis model

NASA Astrophysics Data System (ADS)

Calatroni, L.; Estatico, C.; Garibaldi, N.; Parisotto, S.

2017-10-01

We consider Alternating Direction Implicit (ADI) splitting schemes to compute efficiently the numerical solution of the PDE osmosis model considered by Weickert et al. in [10] for several imaging applications. The discretised scheme is shown to preserve analogous properties to the continuous model. The dimensional splitting strategy traduces numerically into the solution of simple tridiagonal systems for which standard matrix factorisation techniques can be used to improve upon the performance of classical implicit methods, even for large time steps. Applications to the shadow removal problem are presented.

An optimization-based approach for solving a time-harmonic multiphysical wave problem with higher-order schemes

NASA Astrophysics Data System (ADS)

Mönkölä, Sanna

2013-06-01

This study considers developing numerical solution techniques for the computer simulations of time-harmonic fluid-structure interaction between acoustic and elastic waves. The focus is on the efficiency of an iterative solution method based on a controllability approach and spectral elements. We concentrate on the model, in which the acoustic waves in the fluid domain are modeled by using the velocity potential and the elastic waves in the structure domain are modeled by using displacement. Traditionally, the complex-valued time-harmonic equations are used for solving the time-harmonic problems. Instead of that, we focus on finding periodic solutions without solving the time-harmonic problems directly. The time-dependent equations can be simulated with respect to time until a time-harmonic solution is reached, but the approach suffers from poor convergence. To overcome this challenge, we follow the approach first suggested and developed for the acoustic wave equations by Bristeau, Glowinski, and Périaux. Thus, we accelerate the convergence rate by employing a controllability method. The problem is formulated as a least-squares optimization problem, which is solved with the conjugate gradient (CG) algorithm. Computation of the gradient of the functional is done directly for the discretized problem. A graph-based multigrid method is used for preconditioning the CG algorithm.

Synthesis of nanosized sodium titanates

DOEpatents

Hobbs, David T.; Taylor-Pashow, Kathryn M. L.; Elvington, Mark C.

2015-09-29

Methods directed to the synthesis and peroxide-modification of nanosized monosodium titanate are described. Methods include combination of reactants at a low concentration to a solution including a nonionic surfactant. The nanosized monosodium titanate can exhibit high selectivity for sorbing various metallic ions.

A direct numerical method for predicting concentration profiles in a turbulent boundary layer over a flat plate. M.S. Thesis

NASA Technical Reports Server (NTRS)

Dow, J. W.

1972-01-01

A numerical solution of the turbulent mass transport equation utilizing the concept of eddy diffusivity is presented as an efficient method of investigating turbulent mass transport in boundary layer type flows. A FORTRAN computer program is used to study the two-dimensional diffusion of ammonia, from a line source on the surface, into a turbulent boundary layer over a flat plate. The results of the numerical solution are compared with experimental data to verify the results of the solution. Several other solutions to diffusion problems are presented to illustrate the versatility of the computer program and to provide some insight into the problem of mass diffusion as a whole.

Accurate determination of non-metallic impurities in high purity tetramethylammonium hydroxide using inductively coupled plasma tandem mass spectrometry

NASA Astrophysics Data System (ADS)

Fu, Liang; Xie, Hualin; Shi, Shuyun; Chen, Xiaoqing

2018-06-01

The content of non-metallic impurities in high-purity tetramethylammonium hydroxide (HPTMAH) aqueous solution has an important influence on the yield, electrical properties and reliability of the integrated circuit during the process of chip etching and cleaning. Therefore, an efficient analytical method to directly quantify the content of non-metallic impurities in HPTMAH aqueous solutions is necessary. The present study was aimed to develop a novel method that can accurately determine seven non-metallic impurities (B, Si, P, S, Cl, As, and Se) in an aqueous solution of HPTMAH by inductively coupled plasma tandem mass spectrometry (ICP-MS/MS). The samples were measured using a direct injection method. In the MS/MS mode, oxygen and hydrogen were used as reaction gases in the octopole reaction system (ORS) to eliminate mass spectral interferences during the analytical process. The detection limits of B, Si, P, S, Cl, As, and Se were 0.31, 0.48, 0.051, 0.27, 3.10, 0.008, and 0.005 μg L-1, respectively. The samples were analyzed by the developed method and the sector field inductively coupled plasma mass spectrometry (SF-ICP-MS) was used for contrastive analysis. The values of these seven elements measured using ICP-MS/MS were consistent with those measured by SF-ICP-MS. The proposed method can be utilized to analyze non-metallic impurities in HPTMAH aqueous solution. Table S2 Multiple potential interferences on the analytes. Table S3 Parameters of calibration curve and the detection limit (DL). Table S4 Results obtained for 25% concentration high-purity grade TMAH aqueous solution samples (μg L-1, mean ± standard deviation, n = 10).

Use of the maximum entropy method to retrieve the vertical atmospheric ozone profile and predict atmospheric ozone content

NASA Technical Reports Server (NTRS)

Turner, B. Curtis

1992-01-01

A method is developed for prediction of ozone levels in planetary atmospheres. This method is formulated in terms of error covariance matrices, and is associated with both direct measurements, a priori first guess profiles, and a weighting function matrix. This is described by the following linearized equation: y = A(matrix) x X + eta, where A is the weighting matrix and eta is noise. The problems to this approach are: (1) the A matrix is near singularity; (2) the number of unknowns in the profile exceeds the number of data points, therefore, the solution may not be unique; and (3) even if a unique solution exists, eta may cause the solution to be ill conditioned.

Evaluation of the effect of three innovative recyling methods on the shear bond strength of stainless steel brackets-an in vitro study.

PubMed

Gupta, Neeraj; Kumar, Dilip; Palla, Aparna

2017-04-01

Orthodontists are commonly faced with the decision of what to do with debonded or inaccurately positioned brackets. An economical option to this dilemma is to recycle the brackets. Many recycling methods have been proposed, but the optimal bond strength of these recycled brackets needs further evaluation. Objectives: To evaluate and compare the effect of three recycling methods: (i) Sandblasting (ii) Sandblasting / direct flaming (iii) Sandblasting /direct flaming /acid bath solution on shear bond strength (SBS) of stainless steel brackets. Eighty human premolars were bonded with premolar stainless steel brackets as per manufacturer's instructions. The teeth were divided into 4 groups (n=20): Recycling and initial debonding was not done in Control group (Group I). After initial bonding, the brackets in the rest of the three experimental groups were debonded and recycled by following methods: (i) Sandblasting (Group II) (ii) Sandblasting /direct flaming (Group III) (iii) Sandblasting /direct flaming /acid bath solution (Group IV). Further the recycled brackets were bonded. The specimens were then subjected to testing in a Universal machine. The evaluation of the variation of the shear bond strength (SBS) among test groups was done using one-way ANOVA test and inter-experimental group comparison was done by Newman-Keuls multiple post hoc procedure. Group I (8.6510±1.3943MPa) showed the highest bond strength followed by Group II (5.0185±0.9758MPa), Group IV (2.30±0.65MPa) and Group III (2.0455± 0.6196MPa). Statistically significant variations existed in the shear bond strength (SBS) in all groups analyzed except between Group III and Group IV. The following conclusions were drawn from the study: 1. Shear bond strength of new brackets is significantly higher than the recycled brackets. 2. Brackets sandblasted with 90µm aluminium oxide particle air-abrasion showed significantly higher shear bond strength compared to direct flaming/sandblasting and direct flaming/sandblasting/acid bath solution. 3. Sandblasting with 90µm aluminium oxide particle air-abrasion is the simplest, most efficient and hence, the preferred method of recycling debonded brackets. Key words: Orthodontic bracket, recycling, shear bond strength.

The Pursuit of K: Reflections on the Current State-of-the-Art in Stress Intensity Factor Solutions for Practical Aerospace Applications

NASA Technical Reports Server (NTRS)

CraigMcClung, R.; Lee, Yi-Der; Cardinal, Joseph W.; Guo, Yajun

2012-01-01

The elastic stress intensity factor (SIF, commonly denoted as K) is the foundation of practical fracture mechanics (FM) analysis for aircraft structures. This single parameter describes the first-order effects of stress magnitude and distribution as well as the geometry of both structure/component and crack. Hence, the calculation of K is often the most significant step in fatigue analysis based on FM. This presentation will provide several reflections on the current state-of-the-art in SIF solution methods used for practical aerospace applications, including a brief historical perspective, descriptions of some recent and ongoing advances, and comments on some remaining challenges. Newman and Raju made significant early contributions to practical structural analysis by developing closed-form SIF equations for surface and corner cracks in simplified geometries, often based on empirical fits of finite element (FE) solutions. Those solutions (and others like them) were sometimes revised as new analyses were conducted or limitations discovered. The foundational solutions have exhibited striking longevity, despite the relatively "coarse" FE models employed many decades ago. However, in recent years, the accumulation of different generations of solutions for the same nominal geometry has led to some confusion (which solution is correct?), and steady increases in computational capabilities have facilitated the discovery of inaccuracies in some (not all!) of the legacy solutions. Some examples of problems and solutions are presented and discussed, including the challenge of maintaining consistency with legacy design applications. As computational power has increased, the prospect of calculating large numbers of SIF solutions for specific complex geometries with advanced numerical methods has grown more attractive. Fawaz and Andersson, for example, have been generating literally millions of new SIF solutions for different combinations of multiple cracks under simplified loading schemes using p-version FE methods. These data are invaluable, but questions remain about their practical use, because the tabular databases of key results needed to support practical life analysis can occupy gigabytes of storage for only a few classes of geometries. The prospect of using such advanced numerical methods to calculate in real time only those K solutions actually needed to support a specific crack growth analysis is also tempting, but the stark reality is that the computational cost is still so high that the approach is not practical except for specific, critical application problems. Some thoughts are offered about alternative paradigms. Compounding approaches are some of the earliest building blocks of SIF development for more complex geometries. These approaches are especially attractive because of their very low computational cost and their conceptual robustness; they are, in some ways, an intriguing contrast and complement to the brute-force numerical methods. In recent years, researchers at NRC-Canada have published remarkable results showing how compounding approaches can be used to generate accurate solutions for very difficult problems. Examples are provided of some successes--and some limitations--using this approach. These closed-form, tabulated numerical, and compounding approaches have typically been used for simple remote loading with simple load paths to the crack. However, many significant cracks occur in complex stress gradient fields. This is a job for weight function (WF) methods, where the arbitrary stress distribution on the crack plane in the corresponding uncracked body (typically determined using FE methods) is used to determine K. Several significant recent advances in WF methods and solutions are highlighted here. Fueled by advanced 3D numerical methods, many new solutions have been generated for classic geometries such as surface and corner cracks with wide ranges of geometrical validity. A new WF formulation has also be developed for part-through cracks considering the arbitrary stress gradients in all directions in the crack plane (so-called bivariant solutions). Basic WF methods have recently been combined with analytical expressions for crack plane stresses to develop a large family of accurate SIF solutions for corner, surface, and through cracks at internal or external notches with very wide ranges of shapes, sizes, acuities, and offsets. Finally, WF solutions are much faster than FE or boundary element solutions, but can still be much slower than simple closed-form solutions, especially for bivariant solutions that can require 2D numerical integration. Novel pre-integration and dynamic tabular methods have been developed that substantially increase the speed of these advanced WF solutions. The practical utility of advanced SIF methods, including both WF and direct numerical methods, is greatly enhanced if the FM life analysis can be directly and efficiently linked with digital models of the actual structure or component (e.g., FE models for stress analysis). Two recent advances of this type will be described. One approach directly interfaces the FM life analysis with the FE model of the uncracked component (including stress results). Through a powerful graphical user interface, simplified FM life models can be constructed (and visualized) directly on the component model, with the computer collecting the geometry and stress gradient information needed for the life calculation. An even more powerful paradigm uses expert logic to automatically build an optimum simple fracture model at any and every desired location in the component model, perform the life calculation, and even generate fatigue crack growth life contour maps, all with minimal user intervention. This paradigm has also been extended to the automatic calculation of fracture risk, considering uncertainty or variability in key input parameters such as initial crack size or location. Another new integrated approach links the engineering life analysis, the component model, and a 3D numerical fracture analysis built with the same component model to generate a table of SIF values at a specific location that can then be employed efficiently to perform the life calculation. Some attention must be given to verification and validation (V&V) issues and challenges: how good are these SIF solutions, how good is good enough, and does anyone believe the life answer? It is important to think critically about the different sources of error or uncertainty and to perform V&V in a hierarchal, building-block manner. Some accuracy issues for SIF solutions, for example, may actually involve independent material behavior issues, such as constraint loss effects for crack fronts near component surfaces, and can be a source of confusion. Recommendations are proposed for improved V&V approaches. This presentation will briefly but critically survey the range of issues and advances mentioned above, with a particular view towards assembling an integrated approach that combines different methods to create practical tools for real-world design and analysis problems. Examples will be selectively drawn from the recent literature, from recent enhancements in the NASGRO and DARWIN computer codes, and from previously unpublished research

Dynamic analysis of flexible rotor-bearing systems using a modal approach

NASA Technical Reports Server (NTRS)

Choy, K. C.; Gunter, E. J.; Barrett, L. E.

1978-01-01

The generalized dynamic equations of motion were obtained by the direct stiffness method for multimass flexible rotor-bearing systems. The direct solution of the equations of motion is illustrated on a simple 3-mass system. For complex rotor-bearing systems, the direct solution of the equations becomes very difficult. The transformation of the equations of motion into modal coordinates can greatly simplify the computation for the solution. The use of undamped and damped system mode shapes in the transformation are discussed. A set of undamped critical speed modes is used to transform the equations of motion into a set of coupled modal equations of motion. A rapid procedure for computing stability, steady state unbalance response, and transient response of the rotor-bearing system is presented. Examples of the application of this modal approach are presented. The dynamics of the system is further investigated with frequency spectrum analysis of the transient response.

Effects of Space Environment on Flow and Concentration During Directional Solidification

NASA Technical Reports Server (NTRS)

Benjapiyaporn, C.; Timchenko, V.; Leonardi, E.; deVahlDavis, G.; deGroh, H. C., III

2000-01-01

A study of directional solidification of a weak binary alloy (specifically, Bi - 1 at% Sn) based on the fixed grid single domain approach is being undertaken. The enthalpy method is used to solve for the temperature field over the computational domain including both the solid and liquid phases; latent heat evolution is treated with the aid of an effective specific heat coefficient. A source term accounting for the release of solute into the liquid during solidification has been incorporated into the solute transport equation. The vorticity-stream function formulation is used to describe thermosolutal convection in the liquid region. In this paper we numerically investigate the effects of g-jitter on directional solidification. A background gravity of 1 micro-g has been assumed, and new results for the effects of periodic disturbances over a range of amplitudes and frequencies on solute field and segregation have been presented.

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

Sidler, Rolf, E-mail: rsidler@gmail.com; Carcione, José M.; Holliger, Klaus

We present a novel numerical approach for the comprehensive, flexible, and accurate simulation of poro-elastic wave propagation in 2D polar coordinates. An important application of this method and its extensions will be the modeling of complex seismic wave phenomena in fluid-filled boreholes, which represents a major, and as of yet largely unresolved, computational problem in exploration geophysics. In view of this, we consider a numerical mesh, which can be arbitrarily heterogeneous, consisting of two or more concentric rings representing the fluid in the center and the surrounding porous medium. The spatial discretization is based on a Chebyshev expansion in themore » radial direction and a Fourier expansion in the azimuthal direction and a Runge–Kutta integration scheme for the time evolution. A domain decomposition method is used to match the fluid–solid boundary conditions based on the method of characteristics. This multi-domain approach allows for significant reductions of the number of grid points in the azimuthal direction for the inner grid domain and thus for corresponding increases of the time step and enhancements of computational efficiency. The viability and accuracy of the proposed method has been rigorously tested and verified through comparisons with analytical solutions as well as with the results obtained with a corresponding, previously published, and independently benchmarked solution for 2D Cartesian coordinates. Finally, the proposed numerical solution also satisfies the reciprocity theorem, which indicates that the inherent singularity associated with the origin of the polar coordinate system is adequately handled.« less

Geophysical monitoring of solute transport in dual-domain environments through laboratory experiments, field-scale solute tracer tests, and numerical simulation

NASA Astrophysics Data System (ADS)

Swanson, Ryan David

The advection-dispersion equation (ADE) fails to describe non-Fickian solute transport breakthrough curves (BTCs) in saturated porous media in both laboratory and field experiments, necessitating the use of other models. The dual-domain mass transfer (DDMT) model partitions the total porosity into mobile and less-mobile domains with an exchange of mass between the two domains, and this model can reproduce better fits to BTCs in many systems than ADE-based models. However, direct experimental estimation of DDMT model parameters remains elusive and model parameters are often calculated a posteriori by an optimization procedure. Here, we investigate the use of geophysical tools (direct-current resistivity, nuclear magnetic resonance, and complex conductivity) to estimate these model parameters directly. We use two different samples of the zeolite clinoptilolite, a material shown to demonstrate solute mass transfer due to a significant internal porosity, and provide the first evidence that direct-current electrical methods can track solute movement into and out of a less-mobile pore space in controlled laboratory experiments. We quantify the effects of assuming single-rate DDMT for multirate mass transfer systems. We analyze pore structures using material characterization methods (mercury porosimetry, scanning electron microscopy, and X-ray computer tomography), and compare these observations to geophysical measurements. Nuclear magnetic resonance in conjunction with direct-current resistivity measurements can constrain mobile and less-mobile porosities, but complex conductivity may have little value in relation to mass transfer despite the hypothesis that mass transfer and complex conductivity lengths scales are related. Finally, we conduct a geoelectrical monitored tracer test at the Macrodispersion Experiment (MADE) site in Columbus, MS. We relate hydraulic and electrical conductivity measurements to generate a 3D hydraulic conductivity field, and compare to hydraulic conductivity fields estimated through ordinary kriging and sequential Gaussian simulation. Time-lapse electrical measurements are used to verify or dismiss aspects of breakthrough curves for different hydraulic conductivity fields. Our results quantify the potential for geophysical measurements to infer on single-rate DDMT parameters, show site-specific relations between hydraulic and electrical conductivity, and track solute exchange into and out of less-mobile domains.

Determination of the absolute configuration of two estrogenic nonylphenols in solution by chiroptical methods

NASA Astrophysics Data System (ADS)

Reinscheid, Uwe M.

2009-01-01

The absolute configurations of two estrogenic nonylphenols were determined in solution. Both nonylphenols, NP35 and NP112 could not be crystallized so that only solution methods are able to solve directly the question of absolute configuration. The conclusion based on experimental and calculated optical rotation and VCD data for the nonylphenol NP35 was independently confirmed by another study using a camphanoyl derivative and X-ray analysis of the obtained crystals. In case of NP112, the experimental rotation data are inconclusive. However, the comparison between experimental and calculated VCD data allowed the determination of the absolute configuration.

An exterior Poisson solver using fast direct methods and boundary integral equations with applications to nonlinear potential flow

NASA Technical Reports Server (NTRS)

Young, D. P.; Woo, A. C.; Bussoletti, J. E.; Johnson, F. T.

1986-01-01

A general method is developed combining fast direct methods and boundary integral equation methods to solve Poisson's equation on irregular exterior regions. The method requires O(N log N) operations where N is the number of grid points. Error estimates are given that hold for regions with corners and other boundary irregularities. Computational results are given in the context of computational aerodynamics for a two-dimensional lifting airfoil. Solutions of boundary integral equations for lifting and nonlifting aerodynamic configurations using preconditioned conjugate gradient are examined for varying degrees of thinness.

Direction dependence of displacement time for two-fluid electroosmotic flow.

PubMed

Lim, Chun Yee; Lam, Yee Cheong

2012-03-01

Electroosmotic flow that involves one fluid displacing another fluid is commonly encountered in various microfludic applications and experiments, for example, current monitoring technique to determine zeta potential of microchannel. There is experimentally observed anomaly in such flow, namely, the displacement time is flow direction dependent, i.e., it depends if it is a high concentration fluid displacing a low concentration fluid, or vice versa. Thus, this investigation focuses on the displacement flow of two fluids with various concentration differences. The displacement time was determined experimentally with current monitoring method. It is concluded that the time required for a high concentration solution to displace a low concentration solution is smaller than the time required for a low concentration solution to displace a high concentration solution. The percentage displacement time difference increases with increasing concentration difference and independent of the length or width of the channel and the voltage applied. Hitherto, no theoretical analysis or numerical simulation has been conducted to explain this phenomenon. A numerical model based on finite element method was developed to explain the experimental observations. Simulations showed that the velocity profile and ion distribution deviate significantly from a single fluid electroosmotic flow. The distortion of ion distribution near the electrical double layer is responsible for the displacement time difference for the two different flow directions. The trends obtained from simulations agree with the experimental findings.

Direction dependence of displacement time for two-fluid electroosmotic flow

PubMed Central

Lim, Chun Yee; Lam, Yee Cheong

2012-01-01

Electroosmotic flow that involves one fluid displacing another fluid is commonly encountered in various microfludic applications and experiments, for example, current monitoring technique to determine zeta potential of microchannel. There is experimentally observed anomaly in such flow, namely, the displacement time is flow direction dependent, i.e., it depends if it is a high concentration fluid displacing a low concentration fluid, or vice versa. Thus, this investigation focuses on the displacement flow of two fluids with various concentration differences. The displacement time was determined experimentally with current monitoring method. It is concluded that the time required for a high concentration solution to displace a low concentration solution is smaller than the time required for a low concentration solution to displace a high concentration solution. The percentage displacement time difference increases with increasing concentration difference and independent of the length or width of the channel and the voltage applied. Hitherto, no theoretical analysis or numerical simulation has been conducted to explain this phenomenon. A numerical model based on finite element method was developed to explain the experimental observations. Simulations showed that the velocity profile and ion distribution deviate significantly from a single fluid electroosmotic flow. The distortion of ion distribution near the electrical double layer is responsible for the displacement time difference for the two different flow directions. The trends obtained from simulations agree with the experimental findings. PMID:22662083

The method of A-harmonic approximation and optimal interior partial regularity for nonlinear elliptic systems under the controllable growth condition

NASA Astrophysics Data System (ADS)

Chen, Shuhong; Tan, Zhong

2007-11-01

In this paper, we consider the nonlinear elliptic systems under controllable growth condition. We use a new method introduced by Duzaar and Grotowski, for proving partial regularity for weak solutions, based on a generalization of the technique of harmonic approximation. We extend previous partial regularity results under the natural growth condition to the case of the controllable growth condition, and directly establishing the optimal Hölder exponent for the derivative of a weak solution.

Automatic photometric titrations of calcium and magnesium in carbonate rocks

USGS Publications Warehouse

Shapiro, L.; Brannock, W.W.

1955-01-01

Rapid nonsubjective methods have been developed for the determination of calcium and magnesium in carbonate rocks. From a single solution of the sample, calcium is titrated directly, and magnesium is titrated after a rapid removal of R2O3 and precipitation of calcium as the tungstate. A concentrated and a dilute solution of disodium ethylenediamine tetraacetate are used as titrants. The concentrated solution is added almost to the end point, then the weak solution is added in an automatic titrator to determine the end point precisely.

Modification of a method-of-characteristics solute-transport model to incorporate decay and equilibrium-controlled sorption or ion exchange

USGS Publications Warehouse

Goode, D.J.; Konikow, Leonard F.

1989-01-01

The U.S. Geological Survey computer model of two-dimensional solute transport and dispersion in ground water (Konikow and Bredehoeft, 1978) has been modified to incorporate the following types of chemical reactions: (1) first-order irreversible rate-reaction, such as radioactive decay; (2) reversible equilibrium-controlled sorption with linear, Freundlich, or Langmuir isotherms; and (3) reversible equilibrium-controlled ion exchange for monovalent or divalent ions. Numerical procedures are developed to incorporate these processes in the general solution scheme that uses method-of- characteristics with particle tracking for advection and finite-difference methods for dispersion. The first type of reaction is accounted for by an exponential decay term applied directly to the particle concentration. The second and third types of reactions are incorporated through a retardation factor, which is a function of concentration for nonlinear cases. The model is evaluated and verified by comparison with analytical solutions for linear sorption and decay, and by comparison with other numerical solutions for nonlinear sorption and ion exchange.

Fast sweeping method for the factored eikonal equation

NASA Astrophysics Data System (ADS)

Fomel, Sergey; Luo, Songting; Zhao, Hongkai

2009-09-01

We develop a fast sweeping method for the factored eikonal equation. By decomposing the solution of a general eikonal equation as the product of two factors: the first factor is the solution to a simple eikonal equation (such as distance) or a previously computed solution to an approximate eikonal equation. The second factor is a necessary modification/correction. Appropriate discretization and a fast sweeping strategy are designed for the equation of the correction part. The key idea is to enforce the causality of the original eikonal equation during the Gauss-Seidel iterations. Using extensive numerical examples we demonstrate that (1) the convergence behavior of the fast sweeping method for the factored eikonal equation is the same as for the original eikonal equation, i.e., the number of iterations for the Gauss-Seidel iterations is independent of the mesh size, (2) the numerical solution from the factored eikonal equation is more accurate than the numerical solution directly computed from the original eikonal equation, especially for point sources.

New solitary wave solutions of (3 + 1)-dimensional nonlinear extended Zakharov-Kuznetsov and modified KdV-Zakharov-Kuznetsov equations and their applications

NASA Astrophysics Data System (ADS)

Lu, Dianchen; Seadawy, A. R.; Arshad, M.; Wang, Jun

In this paper, new exact solitary wave, soliton and elliptic function solutions are constructed in various forms of three dimensional nonlinear partial differential equations (PDEs) in mathematical physics by utilizing modified extended direct algebraic method. Soliton solutions in different forms such as bell and anti-bell periodic, dark soliton, bright soliton, bright and dark solitary wave in periodic form etc are obtained, which have large applications in different branches of physics and other areas of applied sciences. The obtained solutions are also presented graphically. Furthermore, many other nonlinear evolution equations arising in mathematical physics and engineering can also be solved by this powerful, reliable and capable method. The nonlinear three dimensional extended Zakharov-Kuznetsov dynamica equation and (3 + 1)-dimensional modified KdV-Zakharov-Kuznetsov equation are selected to show the reliability and effectiveness of the current method.

Using a derivative-free optimization method for multiple solutions of inverse transport problems

DOE PAGES

Armstrong, Jerawan C.; Favorite, Jeffrey A.

2016-01-14

Identifying unknown components of an object that emits radiation is an important problem for national and global security. Radiation signatures measured from an object of interest can be used to infer object parameter values that are not known. This problem is called an inverse transport problem. An inverse transport problem may have multiple solutions and the most widely used approach for its solution is an iterative optimization method. This paper proposes a stochastic derivative-free global optimization algorithm to find multiple solutions of inverse transport problems. The algorithm is an extension of a multilevel single linkage (MLSL) method where a meshmore » adaptive direct search (MADS) algorithm is incorporated into the local phase. Furthermore, numerical test cases using uncollided fluxes of discrete gamma-ray lines are presented to show the performance of this new algorithm.« less

Shooting method for solution of boundary-layer flows with massive blowing

NASA Technical Reports Server (NTRS)

Liu, T.-M.; Nachtsheim, P. R.

1973-01-01

A modified, bidirectional shooting method is presented for solving boundary-layer equations under conditions of massive blowing. Unlike the conventional shooting method, which is unstable when the blowing rate increases, the proposed method avoids the unstable direction and is capable of solving complex boundary-layer problems involving mass and energy balance on the surface.

Rapid analysis of fertilizers by the direct-reading thermometric method.

PubMed

Sajó, I; Sipos, B

1972-05-01

The authors have developed rapid methods for the determination of the main components of fertilizers, namely phosphate, potassium and nitrogen fixed in various forms. In the absence of magnesium ions phosphate is precipitated with magnesia mixture; in the presence of magnesium ions ammonium phosphomolybdate is precipitated and the excess of molybdate is reacted with hydrogen peroxide. Potassium is determined by precipitation with silico-fluoride. For nitrogen fixed as ammonium salts the ammonium ions are condensed in a basic solution with formalin to hexamethylenetetramine; for nitrogen fixed as carbamide the latter is decomposed with sodium nitrite; for nitrogen fixed as nitrate the latter is reduced with titanium(III). In each case the temperature change of the test solution is measured. Practically all essential components of fertilizers may be determined by direct-reading thermometry; with this method and special apparatus the time of analysis is reduced to at most about 15 min for any determination.

Symplectic partitioned Runge-Kutta scheme for Maxwell's equations

NASA Astrophysics Data System (ADS)

Huang, Zhi-Xiang; Wu, Xian-Liang

Using the symplectic partitioned Runge-Kutta (PRK) method, we construct a new scheme for approximating the solution to infinite dimensional nonseparable Hamiltonian systems of Maxwell's equations for the first time. The scheme is obtained by discretizing the Maxwell's equations in the time direction based on symplectic PRK method, and then evaluating the equation in the spatial direction with a suitable finite difference approximation. Several numerical examples are presented to verify the efficiency of the scheme.

Direct perturbation theory for the dark soliton solution to the nonlinear Schroedinger equation with normal dispersion

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

Yu Jialu; Yang Chunnuan; Cai Hao

2007-04-15

After finding the basic solutions of the linearized nonlinear Schroedinger equation by the method of separation of variables, the perturbation theory for the dark soliton solution is constructed by linear Green's function theory. In application to the self-induced Raman scattering, the adiabatic corrections to the soliton's parameters are obtained and the remaining correction term is given as a pure integral with respect to the continuous spectral parameter.

Managing Written Directives: A Software Solution to Streamline Workflow.

PubMed

Wagner, Robert H; Savir-Baruch, Bital; Gabriel, Medhat S; Halama, James R; Bova, Davide

2017-06-01

A written directive is required by the U.S. Nuclear Regulatory Commission for any use of 131 I above 1.11 MBq (30 μCi) and for patients receiving radiopharmaceutical therapy. This requirement has also been adopted and must be enforced by the agreement states. As the introduction of new radiopharmaceuticals increases therapeutic options in nuclear medicine, time spent on regulatory paperwork also increases. The pressure of managing these time-consuming regulatory requirements may heighten the potential for inaccurate or incomplete directive data and subsequent regulatory violations. To improve on the paper-trail method of directive management, we created a software tool using a Health Insurance Portability and Accountability Act (HIPAA)-compliant database. This software allows for secure data-sharing among physicians, technologists, and managers while saving time, reducing errors, and eliminating the possibility of loss and duplication. Methods: The software tool was developed using Visual Basic, which is part of the Visual Studio development environment for the Windows platform. Patient data are deposited in an Access database on a local HIPAA-compliant secure server or hard disk. Once a working version had been developed, it was installed at our institution and used to manage directives. Updates and modifications of the software were released regularly until no more significant problems were found with its operation. Results: The software has been used at our institution for over 2 y and has reliably kept track of all directives. All physicians and technologists use the software daily and find it superior to paper directives. They can retrieve active directives at any stage of completion, as well as completed directives. Conclusion: We have developed a software solution for the management of written directives that streamlines and structures the departmental workflow. This solution saves time, centralizes the information for all staff to share, and decreases confusion about the creation, completion, filing, and retrieval of directives. © 2017 by the Society of Nuclear Medicine and Molecular Imaging.

Methodology in the Assessment of Construction and Development Investment Projects, Including the Graphic Multi-Criteria Analysis - a Systemic Approach

NASA Astrophysics Data System (ADS)

Szafranko, Elżbieta

2017-10-01

Assessment of variant solutions developed for a building investment project needs to be made at the stage of planning. While considering alternative solutions, the investor defines various criteria, but a direct evaluation of the degree of their fulfilment by developed variant solutions can be very difficult. In practice, there are different methods which enable the user to include a large number of parameters into an analysis, but their implementation can be challenging. Some methods require advanced mathematical computations, preceded by complicating input data processing, and the generated results may not lend themselves easily to interpretation. Hence, during her research, the author has developed a systemic approach, which involves several methods and whose goal is to compare their outcome. The final stage of the proposed method consists of graphic interpretation of results. The method has been tested on a variety of building and development projects.

Stress waves in transversely isotropic media: The homogeneous problem

NASA Technical Reports Server (NTRS)

Marques, E. R. C.; Williams, J. H., Jr.

1986-01-01

The homogeneous problem of stress wave propagation in unbounded transversely isotropic media is analyzed. By adopting plane wave solutions, the conditions for the existence of the solution are established in terms of phase velocities and directions of particle displacements. Dispersion relations and group velocities are derived from the phase velocity expressions. The deviation angles (e.g., angles between the normals to the adopted plane waves and the actual directions of their propagation) are numerically determined for a specific fiber-glass epoxy composite. A graphical method is introduced for the construction of the wave surfaces using magnitudes of phase velocities and deviation angles. The results for the case of isotropic media are shown to be contained in the solutions for the transversely isotropic media.

An ansatz for solving nonlinear partial differential equations in mathematical physics.

PubMed

Akbar, M Ali; Ali, Norhashidah Hj Mohd

2016-01-01

In this article, we introduce an ansatz involving exact traveling wave solutions to nonlinear partial differential equations. To obtain wave solutions using direct method, the choice of an appropriate ansatz is of great importance. We apply this ansatz to examine new and further general traveling wave solutions to the (1+1)-dimensional modified Benjamin-Bona-Mahony equation. Abundant traveling wave solutions are derived including solitons, singular solitons, periodic solutions and general solitary wave solutions. The solutions emphasize the nobility of this ansatz in providing distinct solutions to various tangible phenomena in nonlinear science and engineering. The ansatz could be more efficient tool to deal with higher dimensional nonlinear evolution equations which frequently arise in many real world physical problems.

A GPU-accelerated semi-implicit fractional step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2017-11-01

Utility of the computational power of modern Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. Due to its serial and bandwidth-bound nature, the present choice of numerical methods is considered to be a good candidate for evaluating the potential of GPUs for solving Navier-Stokes equations using non-explicit time integration. An efficient algorithm is presented for GPU acceleration of the Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution method used in the semi-implicit fractional-step method. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while Navier-Stokes equations are computed on a GPU. Extension to multiple NVIDIA GPUs is implemented using NVLink supported by the Pascal architecture. Performance of the present method is experimented on multiple Tesla P100 GPUs compared with a single-core Xeon E5-2650 v4 CPU in simulations of boundary-layer flow over a flat plate. Supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (Ministry of Science, ICT and Future Planning NRF-2016R1E1A2A01939553, NRF-2014R1A2A1A11049599, and Ministry of Trade, Industry and Energy 201611101000230).

Study of a two-dimension transient heat propagation in cylindrical coordinates by means of two finite difference methods

NASA Astrophysics Data System (ADS)

Dumencu, A.; Horbaniuc, B.; Dumitraşcu, G.

2016-08-01

The analytical approach of unsteady conduction heat transfer under actual conditions represent a very difficult (if not insurmountable) problem due to the issues related to finding analytical solutions for the conduction heat transfer equation. Various techniques have been developed in order to overcome these difficulties, among which the alternate directions method and the decomposition method. Both of them are particularly suited for two-dimension heat propagation. The paper deals with both techniques in order to verify whether the results provided are in good accordance. The studied case consists of a long hollow cylinder, and considers that the time-dependent temperature field varies both in the radial and the axial directions. The implicit technique is used in both methods and involves the simultaneous solving of a set of equations for all of the nodes for each time step successively for each of the two directions. Gauss elimination is used to obtain the solution of the set, representing the nodal temperatures. After using the two techniques the results show a very good agreement, and since the decomposition is easier to use in terms of computer code and running time, this technique seems to be more recommendable.

Application of Newton's method to the postbuckling of rings under pressure loadings

NASA Technical Reports Server (NTRS)

Thurston, Gaylen A.

1989-01-01

The postbuckling response of circular rings (or long cylinders) is examined. The rings are subjected to four types of external pressure loadings; each type of pressure is defined by its magnitude and direction at points on the buckled ring. Newton's method is applied to the nonlinear differential equations of the exact inextensional theory for the ring problem. A zeroth approximation for the solution of the nonlinear equations, based on the mode shape corresponding to the first buckling pressure, is derived in closed form for each of the four types of pressure. The zeroth approximation is used to start the iteration cycle in Newton's method to compute numerical solutions of the nonlinear equations. The zeroth approximations for the postbuckling pressure-deflection curves are compared with the converged solutions from Newton's method and with similar results reported in the literature.

Subsurface solute transport with one-, two-, and three-dimensional arbitrary shape sources

NASA Astrophysics Data System (ADS)

Chen, Kewei; Zhan, Hongbin; Zhou, Renjie

2016-07-01

Solutions with one-, two-, and three-dimensional arbitrary shape source geometries will be very helpful tools for investigating a variety of contaminant transport problems in the geological media. This study proposed a general method to develop new solutions for solute transport in a saturated, homogeneous aquifer (confined or unconfined) with a constant, unilateral groundwater flow velocity. Several typical source geometries, such as arbitrary line sources, vertical and horizontal patch sources, circular and volumetric sources, were considered. The sources can sit on the upper or lower aquifer boundary to simulate light non-aqueous-phase-liquids (LNAPLs) or dense non-aqueous-phase-liquids (DNAPLs), respectively, or can be located anywhere inside the aquifer. The developed new solutions were tested against previous benchmark solutions under special circumstances and were shown to be robust and accurate. Such solutions can also be used as a starting point for the inverse problem of source zone and source geometry identification in the future. The following findings can be obtained from analyzing the solutions. The source geometry, including shape and orientation, generally played an important role for the concentration profile through the entire transport process. When comparing the inclined line sources with the horizontal line sources, the concentration contours expanded considerably along the vertical direction, and shrank considerably along the groundwater flow direction. A planar source sitting on the upper aquifer boundary (such as a LNAPL pool) would lead to significantly different concentration profiles compared to a planar source positioned in a vertical plane perpendicular to the flow direction. For a volumetric source, its dimension along the groundwater flow direction became less important compared to its other two dimensions.

Interior Fluid Dynamics of Liquid-Filled Projectiles

DTIC Science & Technology

1989-12-01

the Sandia code. The previous codes are primarily based on finite-difference approximations with relatively coarse grid and were designed without...exploits Chorin’s method of artificial compressibility. The steady solution at 11 X 24 X 21 grid points in r, 0, z-direction is obtained by integrating...differences in radial and axial direction and pseudoepectral differencing in the azimuthal direction. Nonuniform grids are introduced for increased

A Lagrange multiplier and Hopfield-type barrier function method for the traveling salesman problem.

PubMed

Dang, Chuangyin; Xu, Lei

2002-02-01

A Lagrange multiplier and Hopfield-type barrier function method is proposed for approximating a solution of the traveling salesman problem. The method is derived from applications of Lagrange multipliers and a Hopfield-type barrier function and attempts to produce a solution of high quality by generating a minimum point of a barrier problem for a sequence of descending values of the barrier parameter. For any given value of the barrier parameter, the method searches for a minimum point of the barrier problem in a feasible descent direction, which has a desired property that lower and upper bounds on variables are always satisfied automatically if the step length is a number between zero and one. At each iteration, the feasible descent direction is found by updating Lagrange multipliers with a globally convergent iterative procedure. For any given value of the barrier parameter, the method converges to a stationary point of the barrier problem without any condition on the objective function. Theoretical and numerical results show that the method seems more effective and efficient than the softassign algorithm.

A forward-advancing wave expansion method for numerical solution of large-scale sound propagation problems

NASA Astrophysics Data System (ADS)

Rolla, L. Barrera; Rice, H. J.

2006-09-01

In this paper a "forward-advancing" field discretization method suitable for solving the Helmholtz equation in large-scale problems is proposed. The forward wave expansion method (FWEM) is derived from a highly efficient discretization procedure based on interpolation of wave functions known as the wave expansion method (WEM). The FWEM computes the propagated sound field by means of an exclusively forward advancing solution, neglecting the backscattered field. It is thus analogous to methods such as the (one way) parabolic equation method (PEM) (usually discretized using standard finite difference or finite element methods). These techniques do not require the inversion of large system matrices and thus enable the solution of large-scale acoustic problems where backscatter is not of interest. Calculations using FWEM are presented for two propagation problems and comparisons to data computed with analytical and theoretical solutions and show this forward approximation to be highly accurate. Examples of sound propagation over a screen in upwind and downwind refracting atmospheric conditions at low nodal spacings (0.2 per wavelength in the propagation direction) are also included to demonstrate the flexibility and efficiency of the method.

Ab initio solution of macromolecular crystal structures without direct methods.

PubMed

McCoy, Airlie J; Oeffner, Robert D; Wrobel, Antoni G; Ojala, Juha R M; Tryggvason, Karl; Lohkamp, Bernhard; Read, Randy J

2017-04-04

The majority of macromolecular crystal structures are determined using the method of molecular replacement, in which known related structures are rotated and translated to provide an initial atomic model for the new structure. A theoretical understanding of the signal-to-noise ratio in likelihood-based molecular replacement searches has been developed to account for the influence of model quality and completeness, as well as the resolution of the diffraction data. Here we show that, contrary to current belief, molecular replacement need not be restricted to the use of models comprising a substantial fraction of the unknown structure. Instead, likelihood-based methods allow a continuum of applications depending predictably on the quality of the model and the resolution of the data. Unexpectedly, our understanding of the signal-to-noise ratio in molecular replacement leads to the finding that, with data to sufficiently high resolution, fragments as small as single atoms of elements usually found in proteins can yield ab initio solutions of macromolecular structures, including some that elude traditional direct methods.

Invisibility problem in acoustics, electromagnetism and heat transfer. Inverse design method

NASA Astrophysics Data System (ADS)

Alekseev, G.; Tokhtina, A.; Soboleva, O.

2017-10-01

Two approaches (direct design and inverse design methods) for solving problems of designing devices providing invisibility of material bodies of detection using different physical fields - electromagnetic, acoustic and static are discussed. The second method is applied for solving problems of designing cloaking devices for the 3D stationary thermal scattering model. Based on this method the design problems under study are reduced to respective control problems. The material parameters (radial and tangential heat conductivities) of the inhomogeneous anisotropic medium filling the thermal cloak and the density of auxiliary heat sources play the role of controls. A unique solvability of direct thermal scattering problem in the Sobolev space is proved and the new estimates of solutions are established. Using these results, the solvability of control problem is proved and the optimality system is derived. Based on analysis of optimality system, the stability estimates of optimal solutions are established and numerical algorithms for solving particular thermal cloaking problem are proposed.

Third order maximum-principle-satisfying direct discontinuous Galerkin methods for time dependent convection diffusion equations on unstructured triangular meshes

DOE PAGES

Chen, Zheng; Huang, Hongying; Yan, Jue

2015-12-21

We develop 3rd order maximum-principle-satisfying direct discontinuous Galerkin methods [8], [9], [19] and [21] for convection diffusion equations on unstructured triangular mesh. We carefully calculate the normal derivative numerical flux across element edges and prove that, with proper choice of parameter pair (β 0,β 1) in the numerical flux formula, the quadratic polynomial solution satisfies strict maximum principle. The polynomial solution is bounded within the given range and third order accuracy is maintained. There is no geometric restriction on the meshes and obtuse triangles are allowed in the partition. As a result, a sequence of numerical examples are carried outmore » to demonstrate the accuracy and capability of the maximum-principle-satisfying limiter.« less

A direct method for the solution of unsteady two-dimensional incompressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Ghia, K. N.; Osswald, G. A.; Ghia, U.

1983-01-01

The unsteady incompressible Navier-Stokes equations are formulated in terms of vorticity and stream function in generalized curvilinear orthogonal coordinates to facilitiate analysis of flow configurations with general geometries. The numerical method developed solves the conservative form of the transport equation using the alternating-direction implicit method, whereas the stream-function equation is solved by direct block Gaussian elimination. The method is applied to a model problem of flow over a back-step in a doubly infinite channel, using clustered conformal coordinates. One-dimensional stretching functions, dependent on the Reynolds number and the asymptotic behavior of the flow, are used to provide suitable grid distribution in the separation and reattachment regions, as well as in the inflow and outflow regions. The optimum grid distribution selected attempts to honor the multiple length scales of the separated-flow model problem. The asymptotic behavior of the finite-differenced transport equation near infinity is examined and the numerical method is carefully developed so as to lead to spatially second-order accurate wiggle-free solutions, i.e., with minimum dispersive error. Results have been obtained in the entire laminar range for the backstep channel and are in good agreement with the available experimental data for this flow problem.

An incremental strategy for calculating consistent discrete CFD sensitivity derivatives

NASA Technical Reports Server (NTRS)

Korivi, Vamshi Mohan; Taylor, Arthur C., III; Newman, Perry A.; Hou, Gene W.; Jones, Henry E.

1992-01-01

In this preliminary study involving advanced computational fluid dynamic (CFD) codes, an incremental formulation, also known as the 'delta' or 'correction' form, is presented for solving the very large sparse systems of linear equations which are associated with aerodynamic sensitivity analysis. For typical problems in 2D, a direct solution method can be applied to these linear equations which are associated with aerodynamic sensitivity analysis. For typical problems in 2D, a direct solution method can be applied to these linear equations in either the standard or the incremental form, in which case the two are equivalent. Iterative methods appear to be needed for future 3D applications; however, because direct solver methods require much more computer memory than is currently available. Iterative methods for solving these equations in the standard form result in certain difficulties, such as ill-conditioning of the coefficient matrix, which can be overcome when these equations are cast in the incremental form; these and other benefits are discussed. The methodology is successfully implemented and tested in 2D using an upwind, cell-centered, finite volume formulation applied to the thin-layer Navier-Stokes equations. Results are presented for two laminar sample problems: (1) transonic flow through a double-throat nozzle; and (2) flow over an isolated airfoil.

Evaluation of the effect of three innovative recyling methods on the shear bond strength of stainless steel brackets-an in vitro study

PubMed Central

Kumar, Dilip; Palla, Aparna

2017-01-01

Background Orthodontists are commonly faced with the decision of what to do with debonded or inaccurately positioned brackets. An economical option to this dilemma is to recycle the brackets. Many recycling methods have been proposed, but the optimal bond strength of these recycled brackets needs further evaluation. Objectives: To evaluate and compare the effect of three recycling methods: (i) Sandblasting (ii) Sandblasting / direct flaming (iii) Sandblasting /direct flaming /acid bath solution on shear bond strength (SBS) of stainless steel brackets. Material and Methods Eighty human premolars were bonded with premolar stainless steel brackets as per manufacturer’s instructions. The teeth were divided into 4 groups (n=20): Recycling and initial debonding was not done in Control group (Group I). After initial bonding, the brackets in the rest of the three experimental groups were debonded and recycled by following methods: (i) Sandblasting (Group II) (ii) Sandblasting /direct flaming (Group III) (iii) Sandblasting /direct flaming /acid bath solution (Group IV). Further the recycled brackets were bonded. The specimens were then subjected to testing in a Universal machine. The evaluation of the variation of the shear bond strength (SBS) among test groups was done using one-way ANOVA test and inter-experimental group comparison was done by Newman-Keuls multiple post hoc procedure. Results Group I (8.6510±1.3943MPa) showed the highest bond strength followed by Group II (5.0185±0.9758MPa), Group IV (2.30±0.65MPa) and Group III (2.0455± 0.6196MPa). Statistically significant variations existed in the shear bond strength (SBS) in all groups analyzed except between Group III and Group IV. Conclusions The following conclusions were drawn from the study: 1. Shear bond strength of new brackets is significantly higher than the recycled brackets. 2. Brackets sandblasted with 90µm aluminium oxide particle air-abrasion showed significantly higher shear bond strength compared to direct flaming/sandblasting and direct flaming/sandblasting/acid bath solution. 3. Sandblasting with 90µm aluminium oxide particle air-abrasion is the simplest, most efficient and hence, the preferred method of recycling debonded brackets. Key words:Orthodontic bracket, recycling, shear bond strength. PMID:28469821

Identification of the connections in biologically inspired neural networks

NASA Technical Reports Server (NTRS)

Demuth, H.; Leung, K.; Beale, M.; Hicklin, J.

1990-01-01

We developed an identification method to find the strength of the connections between neurons from their behavior in small biologically-inspired artificial neural networks. That is, given the network external inputs and the temporal firing pattern of the neurons, we can calculate a solution for the strengths of the connections between neurons and the initial neuron activations if a solution exists. The method determines directly if there is a solution to a particular neural network problem. No training of the network is required. It should be noted that this is a first pass at the solution of a difficult problem. The neuron and network models chosen are related to biology but do not contain all of its complexities, some of which we hope to add to the model in future work. A variety of new results have been obtained. First, the method has been tailored to produce connection weight matrix solutions for networks with important features of biological neural (bioneural) networks. Second, a computationally efficient method of finding a robust central solution has been developed. This later method also enables us to find the most consistent solution in the presence of noisy data. Prospects of applying our method to identify bioneural network connections are exciting because such connections are almost impossible to measure in the laboratory. Knowledge of such connections would facilitate an understanding of bioneural networks and would allow the construction of the electronic counterparts of bioneural networks on very large scale integrated (VLSI) circuits.

A stationary phase solution for mountain waves with application to mesospheric mountain waves generated by Auckland Island

NASA Astrophysics Data System (ADS)

Broutman, Dave; Eckermann, Stephen D.; Knight, Harold; Ma, Jun

2017-01-01

A relatively general stationary phase solution is derived for mountain waves from localized topography. It applies to hydrostatic, nonhydrostatic, or anelastic dispersion relations, to arbitrary localized topography, and to arbitrary smooth vertically varying background temperature and vector wind profiles. A simple method is introduced to compute the ray Jacobian that quantifies the effects of horizontal geometrical spreading in the stationary phase solution. The stationary phase solution is applied to mesospheric mountain waves generated by Auckland Island during the Deep Propagating Gravity Wave Experiment. The results are compared to a Fourier solution. The emphasis is on interpretations involving horizontal geometrical spreading. The results show larger horizontal geometrical spreading for nonhydrostatic waves than for hydrostatic waves in the region directly above the island; the dominant effect of horizontal geometrical spreading in the lower ˜30 km of the atmosphere, compared to the effects of refraction and background density variation; and the enhanced geometrical spreading due to directional wind in the approach to a critical layer in the mesosphere.

Process modelling for space station experiments

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Alexander, J. Iwan D.

1988-01-01

The work performed during the first year 1 Oct. 1987 to 30 Sept. 1988 involved analyses of crystal growth from the melt and from solution. The particular melt growth technique under investigation is directional solidification by the Bridgman-Stockbarger method. Two types of solution growth systems are also being studied. One involves growth from solution in a closed container, the other concerns growth of protein crystals by the hanging drop method. Following discussions with Dr. R. J. Naumann of the Low Gravity Science Division at MSFC it was decided to tackle the analysis of crystal growth from the melt earlier than originally proposed. Rapid progress was made in this area. Work is on schedule and full calculations were underway for some time. Progress was also made in the formulation of the two solution growth models.

An improved semi-implicit method for structural dynamics analysis

NASA Technical Reports Server (NTRS)

Park, K. C.

1982-01-01

A semi-implicit algorithm is presented for direct time integration of the structural dynamics equations. The algorithm avoids the factoring of the implicit difference solution matrix and mitigates the unacceptable accuracy losses which plagued previous semi-implicit algorithms. This substantial accuracy improvement is achieved by augmenting the solution matrix with two simple diagonal matrices of the order of the integration truncation error.

Direct estimation of mass flow and diffusion of nitrogen compounds in solution and soil.

PubMed

Oyewole, Olusegun Ayodeji; Inselsbacher, Erich; Näsholm, Torgny

2014-02-01

Plant nutrient uptake from soil is mainly governed by diffusion and transpirationally induced mass flow, but the current methods for assessing the relative importance of these processes are indirect. We developed a microdialysis method using solutions of different osmotic potentials as perfusates to simulate diffusion and mass flow processes, and assessed how induced mass flow affected fluxes of nitrogen (N) compounds in solution and in boreal forest soil. Varying the osmotic potential of perfusates induced vertical fluxes in the direction of the dialysis membranes at rates of between 1 × 10(-8) and 3 × 10(-7)  m s(-1) , thus covering the estimated range of water velocities perpendicular to root surfaces and induced by transpiration. Mass flow increased N fluxes in solution but even more so in soil. This effect was explained by an indirect effect of mass flow on rates of diffusive fluxes, possibly caused by the formation of steeper gradients in concentrations of N compounds from membrane surfaces out in the soil. Our results suggest that transpiration may be an essential driver of plant N acquisition. © 2013 The Authors. New Phytologist © 2013 New Phytologist Trust.

STUDIES ON THE FORMATION AND IONIZATION OF THE COMPOUNDS OF CASEIN WITH ALKALI

PubMed Central

Greenberg, David M.; Schmidt, Carl L. A.

1924-01-01

1. The deposition of casein on a platinum anode which takes place on the passage of a direct current through solutions of alkali caseinates was quantitatively studied, and it was found that: (a) the amount of casein which is deposited is directly proportional to the current, i.e. it obeys Faraday's law; (b) the amount of casein deposited is inversely proportional (within the limits studied) to the amount of alkali which is combined with the casein. 2. A method of determining the transport numbers of proteins insoluble at their isoelectric point has been developed. 3. A titration method for determining the amount of alkali in a casein solution is given. 4. Data from the results of transference experiments on sodium caseinate, potassium caseinate, cesium caseinate, and rubidium caseinate solutions are given. It is shown that the data are best explained on the assumption that in these solutions the carriers of the current are alkali metal cations and casein anions. 5. On the basis of our transference results an explanation is given of the results which were obtained by Robertson and by Haas in their migration experiments. PMID:19872135

Spatial derivatives of flow quantities behind curved shocks of all strengths

NASA Technical Reports Server (NTRS)

Darden, C. M.

1984-01-01

Explicit formulas in terms of shock curvature are developed for spatial derivatives of flow quantities behind a curved shock for two-dimensional inviscid steady flow. Factors which yield the equations indeterminate as the shock strength approaches 0 have been cancelled analytically so that formulas are valid for shocks of any strength. An application for the method is shown in the solution of shock coalescence when nonaxisymmetric effects are felt through derivatives in the circumferential direction. The solution of this problem requires flow derivatives behind the shock in both the axial and radial direction.

A 1D radiative transfer benchmark with polarization via doubling and adding

NASA Astrophysics Data System (ADS)

Ganapol, B. D.

2017-11-01

Highly precise numerical solutions to the radiative transfer equation with polarization present a special challenge. Here, we establish a precise numerical solution to the radiative transfer equation with combined Rayleigh and isotropic scattering in a 1D-slab medium with simple polarization. The 2-Stokes vector solution for the fully discretized radiative transfer equation in space and direction derives from the method of doubling and adding enhanced through convergence acceleration. Updates to benchmark solutions found in the literature to seven places for reflectance and transmittance as well as for angular flux follow. Finally, we conclude with the numerical solution in a partially randomly absorbing heterogeneous medium.

Method of making a light weight battery plaque

NASA Technical Reports Server (NTRS)

Reid, M. A.; Post, R. E.; Soltis, D. G. (Inventor)

1984-01-01

A nickel plaque which may be coated with a suitable metal or compound to make an electrode for a fuel cell or battery is fabricated by directing nickel sensitizer, catalyst and plating solutions through a porous plastic substrate in the order named and at prescribed temperatures and flow rates. A boride compound dissolved in the plating solution decreases the electrical resistance of the plaque. Certain substrates may require treatment in an alkali solution to dissolve filler materials thereby increasing porosity to a required 65%.

Direct perturbation theory for the dark soliton solution to the nonlinear Schrödinger equation with normal dispersion.

PubMed

Yu, Jia-Lu; Yang, Chun-Nuan; Cai, Hao; Huang, Nian-Ning

2007-04-01

After finding the basic solutions of the linearized nonlinear Schrödinger equation by the method of separation of variables, the perturbation theory for the dark soliton solution is constructed by linear Green's function theory. In application to the self-induced Raman scattering, the adiabatic corrections to the soliton's parameters are obtained and the remaining correction term is given as a pure integral with respect to the continuous spectral parameter.

Computer programs for the solution of systems of linear algebraic equations

NASA Technical Reports Server (NTRS)

Sequi, W. T.

1973-01-01

FORTRAN subprograms for the solution of systems of linear algebraic equations are described, listed, and evaluated in this report. Procedures considered are direct solution, iteration, and matrix inversion. Both incore methods and those which utilize auxiliary data storage devices are considered. Some of the subroutines evaluated require the entire coefficient matrix to be in core, whereas others account for banding or sparceness of the system. General recommendations relative to equation solving are made, and on the basis of tests, specific subprograms are recommended.

Nonlinear Analysis of Bonded Composite Tubular Lap Joints

NASA Technical Reports Server (NTRS)

Oterkus, E.; Madenci, E.; Smeltzer, S. S., III; Ambur, D. R.

2005-01-01

The present study describes a semi-analytical solution method for predicting the geometrically nonlinear response of a bonded composite tubular single-lap joint subjected to general loading conditions. The transverse shear and normal stresses in the adhesive as well as membrane stress resultants and bending moments in the adherends are determined using this method. The method utilizes the principle of virtual work in conjunction with nonlinear thin-shell theory to model the adherends and a cylindrical shear lag model to represent the kinematics of the thin adhesive layer between the adherends. The kinematic boundary conditions are imposed by employing the Lagrange multiplier method. In the solution procedure, the displacement components for the tubular joint are approximated in terms of non-periodic and periodic B-Spline functions in the longitudinal and circumferential directions, respectively. The approach presented herein represents a rapid-solution alternative to the finite element method. The solution method was validated by comparison against a previously considered tubular single-lap joint. The steep variation of both peeling and shearing stresses near the adhesive edges was successfully captured. The applicability of the present method was also demonstrated by considering tubular bonded lap-joints subjected to pure bending and torsion.

Electrodeposition of reduced graphene oxide with chitosan based on the coordination deposition method

PubMed Central

Liu, Mingyang; Qin, Chaoran; Zhang, Zheng; Ma, Shuai; Cai, Xiuru; Li, Xueqian

2018-01-01

The electrodeposition of graphene has drawn considerable attention due to its appealing applications for sensors, supercapacitors and lithium-ion batteries. However, there are still some limitations in the current electrodeposition methods for graphene. Here, we present a novel electrodeposition method for the direct deposition of reduced graphene oxide (rGO) with chitosan. In this method, a 2-hydroxypropyltrimethylammonium chloride-based chitosan-modified rGO material was prepared. This material disperses homogenously in the chitosan solution, forming a deposition solution with good dispersion stability. Subsequently, the modified rGO material was deposited on an electrode through codeposition with chitosan, based on the coordination deposition method. After electrodeposition, the homogeneous, deposited rGO/chitosan films can be generated on copper or silver electrodes or substrates. The electrodeposition method allows for the convenient and controlled creation of rGO/chitosan nanocomposite coatings and films of different shapes and thickness. It also introduces a new method of creating films, as they can be peeled completely from the electrodes. Moreover, this method allows for a rGO/chitosan film to be deposited directly onto an electrode, which can then be used for electrochemical detection. PMID:29765797

Development of a GC-MS-SPME Method for the Determination of Amines in Meteorites

NASA Astrophysics Data System (ADS)

Hilts, R. W.; Skelhorne, A. W.; Simkus, D.; Herd, C. D. K.

2016-08-01

A GC-MS-SPME analytical method for the direct determination of amines in aqueous solution has been developed. The key step in the procedure is the conversion of the amines into their non-volatile ammonium salts by protonation with HCl.

A fast iterative convolution weighting approach for gridding-based direct Fourier three-dimensional reconstruction with correction for the contrast transfer function.

PubMed

Abrishami, V; Bilbao-Castro, J R; Vargas, J; Marabini, R; Carazo, J M; Sorzano, C O S

2015-10-01

We describe a fast and accurate method for the reconstruction of macromolecular complexes from a set of projections. Direct Fourier inversion (in which the Fourier Slice Theorem plays a central role) is a solution for dealing with this inverse problem. Unfortunately, the set of projections provides a non-equidistantly sampled version of the macromolecule Fourier transform in the single particle field (and, therefore, a direct Fourier inversion) may not be an optimal solution. In this paper, we introduce a gridding-based direct Fourier method for the three-dimensional reconstruction approach that uses a weighting technique to compute a uniform sampled Fourier transform. Moreover, the contrast transfer function of the microscope, which is a limiting factor in pursuing a high resolution reconstruction, is corrected by the algorithm. Parallelization of this algorithm, both on threads and on multiple CPU's, makes the process of three-dimensional reconstruction even faster. The experimental results show that our proposed gridding-based direct Fourier reconstruction is slightly more accurate than similar existing methods and presents a lower computational complexity both in terms of time and memory, thereby allowing its use on larger volumes. The algorithm is fully implemented in the open-source Xmipp package and is downloadable from http://xmipp.cnb.csic.es. Copyright © 2015 Elsevier B.V. All rights reserved.

Systems and methods for laser assisted sample transfer to solution for chemical analysis

DOEpatents

Van Berkel, Gary J.; Kertesz, Vilmos; Ovchinnikova, Olga S.

2014-06-03

Systems and methods are described for laser ablation of an analyte from a specimen and capturing of the analyte in a dispensed solvent to form a testing solution. A solvent dispensing and extraction system can form a liquid microjunction with the specimen. The solvent dispensing and extraction system can include a surface sampling probe. The laser beam can be directed through the surface sampling probe. The surface sampling probe can also serve as an atomic force microscopy probe. The surface sampling probe can form a seal with the specimen. The testing solution including the analyte can then be analyzed using an analytical instrument or undergo further processing.

Systems and methods for laser assisted sample transfer to solution for chemical analysis

DOEpatents

Van Berkel, Gary J.; Kertesz, Vilmos; Ovchinnikova, Olga S.

2015-09-29

Systems and methods are described for laser ablation of an analyte from a specimen and capturing of the analyte in a dispensed solvent to form a testing solution. A solvent dispensing and extraction system can form a liquid microjunction with the specimen. The solvent dispensing and extraction system can include a surface sampling probe. The laser beam can be directed through the surface sampling probe. The surface sampling probe can also serve as an atomic force microscopy probe. The surface sampling probe can form a seal with the specimen. The testing solution including the analyte can then be analyzed using an analytical instrument or undergo further processing.

Systems and methods for laser assisted sample transfer to solution for chemical analysis

DOEpatents

Van Berkel, Gary J; Kertesz, Vilmos; Ovchinnikova, Olga S

2013-08-27

Systems and methods are described for laser ablation of an analyte from a specimen and capturing of the analyte in a dispensed solvent to form a testing solution. A solvent dispensing and extraction system can form a liquid microjunction with the specimen. The solvent dispensing and extraction system can include a surface sampling probe. The laser beam can be directed through the surface sampling probe. The surface sampling probe can also serve as an atomic force microscopy probe. The surface sampling probe can form a seal with the specimen. The testing solution including the analyte can then be analyzed using an analytical instrument or undergo further processing.

Nested Krylov methods and preserving the orthogonality

NASA Technical Reports Server (NTRS)

Desturler, Eric; Fokkema, Diederik R.

1993-01-01

Recently the GMRESR inner-outer iteraction scheme for the solution of linear systems of equations was proposed by Van der Vorst and Vuik. Similar methods have been proposed by Axelsson and Vassilevski and Saad (FGMRES). The outer iteration is GCR, which minimizes the residual over a given set of direction vectors. The inner iteration is GMRES, which at each step computes a new direction vector by approximately solving the residual equation. However, the optimality of the approximation over the space of outer search directions is ignored in the inner GMRES iteration. This leads to suboptimal corrections to the solution in the outer iteration, as components of the outer iteration directions may reenter in the inner iteration process. Therefore we propose to preserve the orthogonality relations of GCR in the inner GMRES iteration. This gives optimal corrections; however, it involves working with a singular, non-symmetric operator. We will discuss some important properties, and we will show by experiments that, in terms of matrix vector products, this modification (almost) always leads to better convergence. However, because we do more orthogonalizations, it does not always give an improved performance in CPU-time. Furthermore, we will discuss efficient implementations as well as the truncation possibilities of the outer GCR process. The experimental results indicate that for such methods it is advantageous to preserve the orthogonality in the inner iteration. Of course we can also use iteration schemes other than GMRES as the inner method; methods with short recurrences like GICGSTAB are of interest.

Third Structure Determination by Powder Diffractometery Round Robin (SDPDRR-3)

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

Le Bail, A.; Cranswick, L; Adil, K

2009-01-01

The results from a third structure determination by powder diffractometry (SDPD) round robin are discussed. From the 175 potential participants having downloaded the powder data, nine sent a total of 12 solutions (8 and 4 for samples 1 and 2, respectively, a tetrahydrated calcium tartrate and a lanthanum tungstate). Participants used seven different computer programs for structure solution (ESPOIR, EXPO, FOX, PSSP, SHELXS, SUPERFLIP, and TOPAS), applying Patterson, direct methods, direct space methods, and charge flipping approach. It is concluded that solving a structure from powder data remains a challenge, at least one order of magnitude more difficult than solvingmore » a problem with similar complexity from single-crystal data. Nevertheless, a few more steps in the direction of increasing the SDPD rate of success were accomplished since the two previous round robins: this time, not only the computer program developers were successful but also some users. No result was obtained from crystal structure prediction experts.« less

Sensitivity analysis of dynamic biological systems with time-delays.

PubMed

Wu, Wu Hsiung; Wang, Feng Sheng; Chang, Maw Shang

2010-10-15

Mathematical modeling has been applied to the study and analysis of complex biological systems for a long time. Some processes in biological systems, such as the gene expression and feedback control in signal transduction networks, involve a time delay. These systems are represented as delay differential equation (DDE) models. Numerical sensitivity analysis of a DDE model by the direct method requires the solutions of model and sensitivity equations with time-delays. The major effort is the computation of Jacobian matrix when computing the solution of sensitivity equations. The computation of partial derivatives of complex equations either by the analytic method or by symbolic manipulation is time consuming, inconvenient, and prone to introduce human errors. To address this problem, an automatic approach to obtain the derivatives of complex functions efficiently and accurately is necessary. We have proposed an efficient algorithm with an adaptive step size control to compute the solution and dynamic sensitivities of biological systems described by ordinal differential equations (ODEs). The adaptive direct-decoupled algorithm is extended to solve the solution and dynamic sensitivities of time-delay systems describing by DDEs. To save the human effort and avoid the human errors in the computation of partial derivatives, an automatic differentiation technique is embedded in the extended algorithm to evaluate the Jacobian matrix. The extended algorithm is implemented and applied to two realistic models with time-delays: the cardiovascular control system and the TNF-α signal transduction network. The results show that the extended algorithm is a good tool for dynamic sensitivity analysis on DDE models with less user intervention. By comparing with direct-coupled methods in theory, the extended algorithm is efficient, accurate, and easy to use for end users without programming background to do dynamic sensitivity analysis on complex biological systems with time-delays.

Simulation of 2D rarefied gas flows based on the numerical solution of the Boltzmann equation

NASA Astrophysics Data System (ADS)

Poleshkin, Sergey O.; Malkov, Ewgenij A.; Kudryavtsev, Alexey N.; Shershnev, Anton A.; Bondar, Yevgeniy A.; Kohanchik, A. A.

2017-10-01

There are various methods for calculating rarefied gas flows, in particular, statistical methods and deterministic methods based on the finite-difference solutions of the Boltzmann nonlinear kinetic equation and on the solutions of model kinetic equations. There is no universal method; each has its disadvantages in terms of efficiency or accuracy. The choice of the method depends on the problem to be solved and on parameters of calculated flows. Qualitative theoretical arguments help to determine the range of parameters of effectively solved problems for each method; however, it is advisable to perform comparative tests of calculations of the classical problems performed by different methods and with different parameters to have quantitative confirmation of this reasoning. The paper provides the results of the calculations performed by the authors with the help of the Direct Simulation Monte Carlo method and finite-difference methods of solving the Boltzmann equation and model kinetic equations. Based on this comparison, conclusions are made on selecting a particular method for flow simulations in various ranges of flow parameters.

Computing group cardinality constraint solutions for logistic regression problems.

PubMed

Zhang, Yong; Kwon, Dongjin; Pohl, Kilian M

2017-01-01

We derive an algorithm to directly solve logistic regression based on cardinality constraint, group sparsity and use it to classify intra-subject MRI sequences (e.g. cine MRIs) of healthy from diseased subjects. Group cardinality constraint models are often applied to medical images in order to avoid overfitting of the classifier to the training data. Solutions within these models are generally determined by relaxing the cardinality constraint to a weighted feature selection scheme. However, these solutions relate to the original sparse problem only under specific assumptions, which generally do not hold for medical image applications. In addition, inferring clinical meaning from features weighted by a classifier is an ongoing topic of discussion. Avoiding weighing features, we propose to directly solve the group cardinality constraint logistic regression problem by generalizing the Penalty Decomposition method. To do so, we assume that an intra-subject series of images represents repeated samples of the same disease patterns. We model this assumption by combining series of measurements created by a feature across time into a single group. Our algorithm then derives a solution within that model by decoupling the minimization of the logistic regression function from enforcing the group sparsity constraint. The minimum to the smooth and convex logistic regression problem is determined via gradient descent while we derive a closed form solution for finding a sparse approximation of that minimum. We apply our method to cine MRI of 38 healthy controls and 44 adult patients that received reconstructive surgery of Tetralogy of Fallot (TOF) during infancy. Our method correctly identifies regions impacted by TOF and generally obtains statistically significant higher classification accuracy than alternative solutions to this model, i.e., ones relaxing group cardinality constraints. Copyright © 2016 Elsevier B.V. All rights reserved.

Power series solutions of ordinary differential equations in MACSYMA

NASA Technical Reports Server (NTRS)

Lafferty, E. L.

1977-01-01

A program is described which extends the differential equation solving capability of MACSYMA to power series solutions and is available via the SHARE library. The program is directed toward those classes of equations with variable coefficients (in particular, those with singularities) and uses the method of Frobenius. Probably the most important distinction between this package and others currently available or being developed is that, wherever possible, this program will attempt to provide a complete solution to the equation rather than an approximation, i.e., a finite number of terms. This solution will take the form of a sum of infinite series.

EVALUATION OF IODINE BASED IMPINGER SOLUTIONS FOR THE EFFICIENT CAPTURE OF HG USING DIRECT INJECTION NEBULIZATION INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRY (DIN-ICP/MS) ANALYSIS

EPA Science Inventory

Currently there are no EPA reference sampling methods that have been promulgated for measuring stack emissions of Hg from coal combustion sources, however, EPA Method 29 is most commonly applied. The draft ASTM Ontario Hydro Method for measuring oxidized, elemental, particulate-b...

Synthesis of silicon containing materials using liquid hydrosilane compositions through direct injection

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

Srinivasan, Guruvenket; Sailer, Robert A.; Hoey, Justin

An apparatus and a non-vapor-pressure dependent method of chemical vapor deposition of Si based materials using direct injection of liquid hydrosilane(s) are presented. Liquid silane precursor solutions may also include metal, non-metal or metalloid dopants, nanomaterials and solvents. An illustrative apparatus has a precursor solution and carrier gas system, atomizer and deposit head with interior chamber and a hot plate supporting the substrate. Atomized liquid silane precursor solutions and carrier gas moves through a confined reaction zone that may be heated and the aerosol and vapor are deposited on a substrate to form a thin film. The substrate may bemore » heated prior to deposition. The deposited film may be processed further with thermal or laser processing.« less

Catalyst inks and method of application for direct methanol fuel cells

DOEpatents

Zelenay, Piotr; Davey, John; Ren, Xiaoming; Gottesfeld, Shimshon; Thomas, Sharon C.

2004-02-24

Inks are formulated for forming anode and cathode catalyst layers and applied to anode and cathode sides of a membrane for a direct methanol fuel cell. The inks comprise a Pt catalyst for the cathode and a Pt--Ru catalyst for the anode, purified water in an amount 4 to 20 times that of the catalyst by weight, and a perfluorosulfonic acid ionomer in an amount effective to provide an ionomer content in the anode and cathode surfaces of 20% to 80% by volume. The inks are prepared in a two-step process while cooling and agitating the solutions. The final solution is placed in a cooler and continuously agitated while spraying the solution over the anode or cathode surface of the membrane as determined by the catalyst content.

Optimum data weighting and error calibration for estimation of gravitational parameters

NASA Technical Reports Server (NTRS)

Lerch, Francis J.

1989-01-01

A new technique was developed for the weighting of data from satellite tracking systems in order to obtain an optimum least-squares solution and an error calibration for the solution parameters. Data sets from optical, electronic, and laser systems on 17 satellites in GEM-T1 Goddard Earth Model-T1 (GEM-T1) were employed toward application of this technique for gravity field parameters. Also GEM-T2 (31 satellites) was recently computed as a direct application of the method and is summarized. The method employs subset solutions of the data associated with the complete solution to agree with their error estimates. With the adjusted weights the process provides for an automatic calibration of the error estimates for the solution parameters. The data weights derived are generally much smaller than corresponding weights obtained from nominal values of observation accuracy or residuals. Independent tests show significant improvement for solutions with optimal weighting. The technique is general and may be applied to orbit parameters, station coordinates, or other parameters than the gravity model.

Mean, covariance, and effective dimension of stochastic distributed delay dynamics

NASA Astrophysics Data System (ADS)

René, Alexandre; Longtin, André

2017-11-01

Dynamical models are often required to incorporate both delays and noise. However, the inherently infinite-dimensional nature of delay equations makes formal solutions to stochastic delay differential equations (SDDEs) challenging. Here, we present an approach, similar in spirit to the analysis of functional differential equations, but based on finite-dimensional matrix operators. This results in a method for obtaining both transient and stationary solutions that is directly amenable to computation, and applicable to first order differential systems with either discrete or distributed delays. With fewer assumptions on the system's parameters than other current solution methods and no need to be near a bifurcation, we decompose the solution to a linear SDDE with arbitrary distributed delays into natural modes, in effect the eigenfunctions of the differential operator, and show that relatively few modes can suffice to approximate the probability density of solutions. Thus, we are led to conclude that noise makes these SDDEs effectively low dimensional, which opens the possibility of practical definitions of probability densities over their solution space.

Perturbation-iteration theory for analyzing microwave striplines

NASA Technical Reports Server (NTRS)

Kretch, B. E.

1985-01-01

A perturbation-iteration technique is presented for determining the propagation constant and characteristic impedance of an unshielded microstrip transmission line. The method converges to the correct solution with a few iterations at each frequency and is equivalent to a full wave analysis. The perturbation-iteration method gives a direct solution for the propagation constant without having to find the roots of a transcendental dispersion equation. The theory is presented in detail along with numerical results for the effective dielectric constant and characteristic impedance for a wide range of substrate dielectric constants, stripline dimensions, and frequencies.

Method for rapidly determining a pulp kappa number using spectrophotometry

DOEpatents

Chai, Xin-Sheng; Zhu, Jun Yong

2002-01-01

A system and method for rapidly determining the pulp kappa number through direct measurement of the potassium permanganate concentration in a pulp-permanganate solution using spectrophotometry. Specifically, the present invention uses strong acidification to carry out the pulp-permanganate oxidation reaction in the pulp-permanganate solution to prevent the precipitation of manganese dioxide (MnO.sub.2). Consequently, spectral interference from the precipitated MnO.sub.2 is eliminated and the oxidation reaction becomes dominant. The spectral intensity of the oxidation reaction is then analyzed to determine the pulp kappa number.

A New Method for 3D Radiative Transfer with Adaptive Grids

NASA Astrophysics Data System (ADS)

Folini, D.; Walder, R.; Psarros, M.; Desboeufs, A.

2003-01-01

We present a new method for 3D NLTE radiative transfer in moving media, including an adaptive grid, along with some test examples and first applications. The central features of our approach we briefly outline in the following. For the solution of the radiative transfer equation, we make use of a generalized mean intensity approach. In this approach, the transfer eqation is solved directly, instead of using the moments of the transfer equation, thus avoiding the associated closure problem. In a first step, a system of equations for the transfer of each directed intensity is set up, using short characteristics. Next, the entity of systems of equations for each directed intensity is re-formulated in the form of one system of equations for the angle-integrated mean intensity. This system then is solved by a modern, fast BiCGStab iterative solver. An additional advantage of this procedure is that convergence rates barely depend on the spatial discretization. For the solution of the rate equations we use Housholder transformations. Lines are treated by a 3D generalization of the well-known Sobolev-approximation. The two parts, solution of the transfer equation and solution of the rate equations, are iteratively coupled. We recently have implemented an adaptive grid, which allows for recursive refinement on a cell-by-cell basis. The spatial resolution, which is always a problematic issue in 3D simulations, we can thus locally reduce or augment, depending on the problem to be solved.

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

Zhang, Yijian; Hong, Mingyi; Dall'Anese, Emiliano

This paper considers power distribution systems featuring renewable energy sources (RESs), and develops a distributed optimization method to steer the RES output powers to solutions of AC optimal power flow (OPF) problems. The design of the proposed method leverages suitable linear approximations of the AC-power flow equations, and is based on the Alternating Direction Method of Multipliers (ADMM). Convergence of the RES-inverter output powers to solutions of the OPF problem is established under suitable conditions on the stepsize as well as mismatches between the commanded setpoints and actual RES output powers. In a broad sense, the methods and results proposedmore » here are also applicable to other distributed optimization problem setups with ADMM and inexact dual updates.« less

Analytical solutions for determining residual stresses in two-dimensional domains using the contour method

PubMed Central

Kartal, Mehmet E.

2013-01-01

The contour method is one of the most prevalent destructive techniques for residual stress measurement. Up to now, the method has involved the use of the finite-element (FE) method to determine the residual stresses from the experimental measurements. This paper presents analytical solutions, obtained for a semi-infinite strip and a finite rectangle, which can be used to calculate the residual stresses directly from the measured data; thereby, eliminating the need for an FE approach. The technique is then used to determine the residual stresses in a variable-polarity plasma-arc welded plate and the results show good agreement with independent neutron diffraction measurements. PMID:24204187

Dynamic Architecture. New Style Forming Aspects

NASA Astrophysics Data System (ADS)

Belyaeva, T. V.

2017-11-01

The article deals with the methods of buildings and structures transformation in the light of modern solutions in dynamic architecture. The mechanism for the formation of a modern object is proposed. Such design methods are becoming rather relevant in view of today’s trends while the priority of dynamic architecture directions keeps increasing.

Spiral-bevel geometry and gear train precision

NASA Technical Reports Server (NTRS)

Litvin, F. L.; Coy, J. J.

1983-01-01

A new aproach to the solution of determination of surface principal curvatures and directions is proposed. Direct relationships between the principal curvatures and directions of the tool surface and those of the principal curvatures and directions of generated gear surface are obtained. The principal curvatures and directions of geartooth surface are obtained without using the complicated equations of these surfaces. A general theory of the train kinematical errors exerted by manufacturing and assembly errors is discussed. Two methods for the determination of the train kinematical errors can be worked out: (1) with aid of a computer, and (2) with a approximate method. Results from noise and vibration measurement conducted on a helicopter transmission are used to illustrate the principals contained in the theory of kinematic errors.

A spectral dynamic stiffness method for free vibration analysis of plane elastodynamic problems

NASA Astrophysics Data System (ADS)

Liu, X.; Banerjee, J. R.

2017-03-01

A highly efficient and accurate analytical spectral dynamic stiffness (SDS) method for modal analysis of plane elastodynamic problems based on both plane stress and plane strain assumptions is presented in this paper. First, the general solution satisfying the governing differential equation exactly is derived by applying two types of one-dimensional modified Fourier series. Then the SDS matrix for an element is formulated symbolically using the general solution. The SDS matrices are assembled directly in a similar way to that of the finite element method, demonstrating the method's capability to model complex structures. Any arbitrary boundary conditions are represented accurately in the form of the modified Fourier series. The Wittrick-Williams algorithm is then used as the solution technique where the mode count problem (J0) of a fully-clamped element is resolved. The proposed method gives highly accurate solutions with remarkable computational efficiency, covering low, medium and high frequency ranges. The method is applied to both plane stress and plane strain problems with simple as well as complex geometries. All results from the theory in this paper are accurate up to the last figures quoted to serve as benchmarks.

A simulation study of homogeneous ice nucleation in supercooled salty water

NASA Astrophysics Data System (ADS)

Soria, Guiomar D.; Espinosa, Jorge R.; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

2018-06-01

We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

A simulation study of homogeneous ice nucleation in supercooled salty water.

PubMed

Soria, Guiomar D; Espinosa, Jorge R; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

2018-06-14

We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

A proof of the DBRF-MEGN method, an algorithm for deducing minimum equivalent gene networks

PubMed Central

2011-01-01

Background We previously developed the DBRF-MEGN (difference-based regulation finding-minimum equivalent gene network) method, which deduces the most parsimonious signed directed graphs (SDGs) consistent with expression profiles of single-gene deletion mutants. However, until the present study, we have not presented the details of the method's algorithm or a proof of the algorithm. Results We describe in detail the algorithm of the DBRF-MEGN method and prove that the algorithm deduces all of the exact solutions of the most parsimonious SDGs consistent with expression profiles of gene deletion mutants. Conclusions The DBRF-MEGN method provides all of the exact solutions of the most parsimonious SDGs consistent with expression profiles of gene deletion mutants. PMID:21699737

A variational theorem for creep with applications to plates and columns

NASA Technical Reports Server (NTRS)

Sanders, J Lyell, Jr; Mccomb, Harvey G , Jr; Schlechte, Floyd R

1958-01-01

A variational theorem is presented for a body undergoing creep. Solutions to problems of the creep behavior of plates, columns, beams, and shells can be obtained by means of the direct methods of the calculus of variations in conjunction with the stated theorem. The application of the theorem is illustrated for plates and columns by the solution of two sample problems.

Patterned forests of vertically-aligned multiwalled carbon nanotubes using metal salt catalyst solutions.

PubMed

Garrett, David J; Flavel, Benjamin S; Baronian, Keith H R; Downard, Alison J

2013-01-01

A simple method for producing patterned forests of multiwalled carbon nanotubes (MWCNTs) is described. An aqueous metal salt solution is spin-coated onto a substrate patterned with photoresist by standard methods. The photoresist is removed by acetone washing leaving the acetone-insoluble catalyst pattern on the substrate. Dense forests of vertically aligned (VA) MWCNTs are grown on the patterned catalyst layers by chemical vapour deposition. The procedures have been demonstrated by growing MWCNT forests on two substrates: silicon and conducting graphitic carbon films. The forests adhere strongly to the substrates and when grown directly on carbon film, offer a simple method of preparing MWCNT electrodes.

The SPAR thermal analyzer: Present and future

NASA Astrophysics Data System (ADS)

Marlowe, M. B.; Whetstone, W. D.; Robinson, J. C.

The SPAR thermal analyzer, a system of finite-element processors for performing steady-state and transient thermal analyses, is described. The processors communicate with each other through the SPAR random access data base. As each processor is executed, all pertinent source data is extracted from the data base and results are stored in the data base. Steady state temperature distributions are determined by a direct solution method for linear problems and a modified Newton-Raphson method for nonlinear problems. An explicit and several implicit methods are available for the solution of transient heat transfer problems. Finite element plotting capability is available for model checkout and verification.

The SPAR thermal analyzer: Present and future

NASA Technical Reports Server (NTRS)

Marlowe, M. B.; Whetstone, W. D.; Robinson, J. C.

1982-01-01

The SPAR thermal analyzer, a system of finite-element processors for performing steady-state and transient thermal analyses, is described. The processors communicate with each other through the SPAR random access data base. As each processor is executed, all pertinent source data is extracted from the data base and results are stored in the data base. Steady state temperature distributions are determined by a direct solution method for linear problems and a modified Newton-Raphson method for nonlinear problems. An explicit and several implicit methods are available for the solution of transient heat transfer problems. Finite element plotting capability is available for model checkout and verification.

Model Order Reduction for the fast solution of 3D Stokes problems and its application in geophysical inversion

NASA Astrophysics Data System (ADS)

Ortega Gelabert, Olga; Zlotnik, Sergio; Afonso, Juan Carlos; Díez, Pedro

2017-04-01

The determination of the present-day physical state of the thermal and compositional structure of the Earth's lithosphere and sub-lithospheric mantle is one of the main goals in modern lithospheric research. All this data is essential to build Earth's evolution models and to reproduce many geophysical observables (e.g. elevation, gravity anomalies, travel time data, heat flow, etc) together with understanding the relationship between them. Determining the lithospheric state involves the solution of high-resolution inverse problems and, consequently, the solution of many direct models is required. The main objective of this work is to contribute to the existing inversion techniques in terms of improving the estimation of the elevation (topography) by including a dynamic component arising from sub-lithospheric mantle flow. In order to do so, we implement an efficient Reduced Order Method (ROM) built upon classic Finite Elements. ROM allows to reduce significantly the computational cost of solving a family of problems, for example all the direct models that are required in the solution of the inverse problem. The strategy of the method consists in creating a (reduced) basis of solutions, so that when a new problem has to be solved, its solution is sought within the basis instead of attempting to solve the problem itself. In order to check the Reduced Basis approach, we implemented the method in a 3D domain reproducing a portion of Earth that covers up to 400 km depth. Within the domain the Stokes equation is solved with realistic viscosities and densities. The different realizations (the family of problems) is created by varying viscosities and densities in a similar way as it would happen in an inversion problem. The Reduced Basis method is shown to be an extremely efficiently solver for the Stokes equation in this context.

Transitions of stationary to pulsating solutions in the complex cubic-quintic Ginzburg-Landau equation under the influence of nonlinear gain and higher-order effects

NASA Astrophysics Data System (ADS)

Uzunov, Ivan M.; Georgiev, Zhivko D.; Arabadzhiev, Todor N.

2018-05-01

In this paper we study the transitions of stationary to pulsating solutions in the complex cubic-quintic Ginzburg-Landau equation (CCQGLE) under the influence of nonlinear gain, its saturation, and higher-order effects: self-steepening, third-order of dispersion, and intrapulse Raman scattering in the anomalous dispersion region. The variation method and the method of moments are applied in order to obtain the dynamic models with finite degrees of freedom for the description of stationary and pulsating solutions. Having applied the first model and its bifurcation analysis we have discovered the existence of families of subcritical Poincaré-Andronov-Hopf bifurcations due to the intrapulse Raman scattering, as well as some small nonlinear gain and the saturation of the nonlinear gain. A phenomenon of nonlinear stability has been studied and it has been shown that long living pulsating solutions with relatively small fluctuations of amplitude and frequencies exist at the bifurcation point. The numerical analysis of the second model has revealed the existence of Poincaré-Andronov-Hopf bifurcations of Raman dissipative soliton under the influence of the self-steepening effect and large nonlinear gain. All our theoretical predictions have been confirmed by the direct numerical solution of the full perturbed CCQGLE. The detailed comparison between the results obtained by both dynamic models and the direct numerical solution of the perturbed CCQGLE has proved the applicability of the proposed models in the investigation of the solutions of the perturbed CCQGLE.

Method of Forming a Hot Film Sensor System on a Model

NASA Technical Reports Server (NTRS)

Tran, Sang Q. (Inventor)

1998-01-01

A method of forming a hot film sensor directly on a model is provided. A polyimide solution is sprayed onto the model. The model so sprayed is then heated in air. The steps of spraying and heating are repeated until a polyimide film of desired thickness is achieved on the model. The model with the polyimide film thereon is then thoroughly dried in air. One or more hot film sensors and corresponding electrical conducting leads are then applied directly onto the polyimide film.

Symmetry Reductions, Integrability and Solitary Wave Solutions to High-Order Modified Boussinesq Equations with Damping Term

NASA Astrophysics Data System (ADS)

Yan, Zhen-Ya; Xie, Fu-Ding; Zhang, Hong-Qing

2001-07-01

Both the direct method due to Clarkson and Kruskal and the improved direct method due to Lou are extended to reduce the high-order modified Boussinesq equation with the damping term (HMBEDT) arising in the general Fermi-Pasta-Ulam model. As a result, several types of similarity reductions are obtained. It is easy to show that the nonlinear wave equation is not integrable under the sense of Ablowitz's conjecture from the reduction results obtained. In addition, kink-shaped solitary wave solutions, which are of important physical significance, are found for HMBEDT based on the obtained reduction equation. The project supported by National Natural Science Foundation of China under Grant No. 19572022, the National Key Basic Research Development Project Program of China under Grant No. G1998030600 and Doctoral Foundation of China under Grant No. 98014119

A survey on the geographic scope of textual documents

NASA Astrophysics Data System (ADS)

Monteiro, Bruno R.; Davis, Clodoveu A.; Fonseca, Fred

2016-11-01

Recognizing references to places in texts is needed in many applications, such as search engines, location-based social media and document classification. In this paper we present a survey of methods and techniques for the recognition and identification of places referenced in texts. We discuss concepts and terminology, and propose a classification of the solutions given in the literature. We introduce a definition of the Geographic Scope Resolution (GSR) problem, dividing it in three steps: geoparsing, reference resolution, and grounding references. Solutions to the first two steps are organized according to the method used, and solutions to the third step are organized according to the type of output produced. We found that it is difficult to compare existing solutions directly to one another, because they often create their own benchmarking data, targeted to their own problem.

A GPU-accelerated semi-implicit fractional-step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2018-01-01

Utility of the computational power of Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. The Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution methods used in the semi-implicit fractional-step method take advantage of multiple tridiagonal matrices whose inversion is known as the major bottleneck for acceleration on a typical multi-core machine. A novel implementation of the semi-implicit fractional-step method designed for GPU acceleration of the incompressible Navier-Stokes equations is presented. Aspects of the programing model of Compute Unified Device Architecture (CUDA), which are critical to the bandwidth-bound nature of the present method are discussed in detail. A data layout for efficient use of CUDA libraries is proposed for acceleration of tridiagonal matrix inversion and fast Fourier transform. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while the Navier-Stokes equations are computed on a GPU. Performance of the present method using CUDA is assessed by comparing the speed of solving three tridiagonal matrices using ADI with the speed of solving one heptadiagonal matrix using a conjugate gradient method. An overall speedup of 20 times is achieved using a Tesla K40 GPU in comparison with a single-core Xeon E5-2660 v3 CPU in simulations of turbulent boundary-layer flow over a flat plate conducted on over 134 million grids. Enhanced performance of 48 times speedup is reached for the same problem using a Tesla P100 GPU.

A zonal method for modeling powered-lift aircraft flow fields

NASA Technical Reports Server (NTRS)

Roberts, D. W.

1989-01-01

A zonal method for modeling powered-lift aircraft flow fields is based on the coupling of a three-dimensional Navier-Stokes code to a potential flow code. By minimizing the extent of the viscous Navier-Stokes zones the zonal method can be a cost effective flow analysis tool. The successful coupling of the zonal solutions provides the viscous/inviscid interations that are necessary to achieve convergent and unique overall solutions. The feasibility of coupling the two vastly different codes is demonstrated. The interzone boundaries were overlapped to facilitate the passing of boundary condition information between the codes. Routines were developed to extract the normal velocity boundary conditions for the potential flow zone from the viscous zone solution. Similarly, the velocity vector direction along with the total conditions were obtained from the potential flow solution to provide boundary conditions for the Navier-Stokes solution. Studies were conducted to determine the influence of the overlap of the interzone boundaries and the convergence of the zonal solutions on the convergence of the overall solution. The zonal method was applied to a jet impingement problem to model the suckdown effect that results from the entrainment of the inviscid zone flow by the viscous zone jet. The resultant potential flow solution created a lower pressure on the base of the vehicle which produces the suckdown load. The feasibility of the zonal method was demonstrated. By enhancing the Navier-Stokes code for powered-lift flow fields and optimizing the convergence of the coupled analysis a practical flow analysis tool will result.

ALARA: The next link in a chain of activation codes

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

Wilson, P.P.H.; Henderson, D.L.

1996-12-31

The Adaptive Laplace and Analytic Radioactivity Analysis [ALARA] code has been developed as the next link in the chain of DKR radioactivity codes. Its methods address the criticisms of DKR while retaining its best features. While DKR ignored loops in the transmutation/decay scheme to preserve the exactness of the mathematical solution, ALARA incorporates new computational approaches without jeopardizing the most important features of DKR`s physical modelling and mathematical methods. The physical model uses `straightened-loop, linear chains` to achieve the same accuracy in the loop solutions as is demanded in the rest of the scheme. In cases where a chain hasmore » no loops, the exact DKR solution is used. Otherwise, ALARA adaptively chooses between a direct Laplace inversion technique and a Laplace expansion inversion technique to optimize the accuracy and speed of the solution. All of these methods result in matrix solutions which allow the fastest and most accurate solution of exact pulsing histories. Since the entire history is solved for each chain as it is created, ALARA achieves the optimum combination of high accuracy, high speed and low memory usage. 8 refs., 2 figs.« less

International Conference on Numerical Methods in Fluid Dynamics, 7th, Stanford University, Stanford and Moffett Field, CA, June 23-27, 1980, Proceedings

NASA Technical Reports Server (NTRS)

Reynolds, W. C. (Editor); Maccormack, R. W.

1981-01-01

Topics discussed include polygon transformations in fluid mechanics, computation of three-dimensional horseshoe vortex flow using the Navier-Stokes equations, an improved surface velocity method for transonic finite-volume solutions, transonic flow calculations with higher order finite elements, the numerical calculation of transonic axial turbomachinery flows, and the simultaneous solutions of inviscid flow and boundary layer at transonic speeds. Also considered are analytical solutions for the reflection of unsteady shock waves and relevant numerical tests, reformulation of the method of characteristics for multidimensional flows, direct numerical simulations of turbulent shear flows, the stability and separation of freely interacting boundary layers, computational models of convective motions at fluid interfaces, viscous transonic flow over airfoils, and mixed spectral/finite difference approximations for slightly viscous flows.

Chemical passivation as a method of improving the electrochemical corrosion resistance of Co-Cr-based dental alloy.

PubMed

Rylska, Dorota; Sokołowski, Grzegorz; Sokołowski, Jerzy; Łukomska-Szymańska, Monika

2017-01-01

The purpose of the study was to evaluate corrosion resistance of Wirobond C® alloy after chemical passivation treatment. The alloy surface undergone chemical passivation treatment in four different media. Corrosion studies were carried out by means of electrochemical methods in saline solution. Corrosion effects were determined using SEM. The greatest increase in the alloy polarization resistance was observed for passive layer produced in Na2SO4 solution with graphite. The same layer caused the highest increase in corrosion current. Generally speaking, the alloy passivation in Na2SO4 solution with graphite caused a substantial improvement of the corrosion resistance. The sample after passivation in Na2SO4 solution without graphite, contrary to others, lost its protective properties along with successive anodic polarization cycles. The alloy passivation in Na3PO4 solution with graphite was the only one that caused a decrease in the alloy corrosion properties. The SEM studies of all samples after chemical passivation revealed no pit corrosion - in contrast to the sample without any modification. Every successive polarization cycle in anodic direction of pure Wirobond C® alloy enhances corrosion resistance shifting corrosion potential in the positive direction and decreasing corrosion current value. The chemical passivation in solutions with low pH values decreases susceptibility to electrochemical corrosion of Co-Cr dental alloy. The best protection against corrosion was obtained after chemical passivation of Wirobond C® in Na2SO4 solution with graphite. Passivation with Na2SO4 in solution of high pH does not cause an increase in corrosion resistance of WIROBOND C. Passivation process increases alloy resistance to pit corrosion.

Modeling ultrasonic transient scattering from biological tissues including their dispersive properties directly in the time domain.

PubMed

Norton, G V; Novarini, J C

2007-06-01

Ultrasonic imaging in medical applications involves propagation and scattering of acoustic waves within and by biological tissues that are intrinsically dispersive. Analytical approaches for modeling propagation and scattering in inhomogeneous media are difficult and often require extremely simplifying approximations in order to achieve a solution. To avoid such approximations, the direct numerical solution of the wave equation via the method of finite differences offers the most direct tool, which takes into account diffraction and refraction. It also allows for detailed modeling of the real anatomic structure and combination/layering of tissues. In all cases the correct inclusion of the dispersive properties of the tissues can make the difference in the interpretation of the results. However, the inclusion of dispersion directly in the time domain proved until recently to be an elusive problem. In order to model the transient signal a convolution operator that takes into account the dispersive characteristics of the medium is introduced to the linear wave equation. To test the ability of this operator to handle scattering from localized scatterers, in this work, two-dimensional numerical modeling of scattering from an infinite cylinder with physical properties associated with biological tissue is calculated. The numerical solutions are compared with the exact solution synthesized from the frequency domain for a variety of tissues having distinct dispersive properties. It is shown that in all cases, the use of the convolutional propagation operator leads to the correct solution for the scattered field.

Ranked solutions to a class of combinatorial optimizations - with applications in mass spectrometry based peptide sequencing

NASA Astrophysics Data System (ADS)

Doerr, Timothy; Alves, Gelio; Yu, Yi-Kuo

2006-03-01

Typical combinatorial optimizations are NP-hard; however, for a particular class of cost functions the corresponding combinatorial optimizations can be solved in polynomial time. This suggests a way to efficiently find approximate solutions - - find a transformation that makes the cost function as similar as possible to that of the solvable class. After keeping many high-ranking solutions using the approximate cost function, one may then re-assess these solutions with the full cost function to find the best approximate solution. Under this approach, it is important to be able to assess the quality of the solutions obtained, e.g., by finding the true ranking of kth best approximate solution when all possible solutions are considered exhaustively. To tackle this statistical issue, we provide a systematic method starting with a scaling function generated from the fininte number of high- ranking solutions followed by a convergent iterative mapping. This method, useful in a variant of the directed paths in random media problem proposed here, can also provide a statistical significance assessment for one of the most important proteomic tasks - - peptide sequencing using tandem mass spectrometry data.

Research perspectives in the field of ground penetrating radars in Armenia

NASA Astrophysics Data System (ADS)

Baghdasaryan, Hovik; Knyazyan, Tamara; Hovhannisyan, Tamara

2014-05-01

Armenia is a country located in a very complicated region from geophysical point of view. It is situated on a cross of several tectonic plates and a lot of dormant volcanoes. The main danger is earthquakes and the last big disaster was in 1988 in the northwest part of contemporary Armenia. As a consequence, the main direction of geophysical research is directed towards monitoring and data analysis of seismic activity. National Academy of Sciences of Armenia is conducting these activities in the Institute of Geological Sciences and in the Institute of Geophysics and Engineering Seismology. Research in the field of ground penetrating radars is considered in Armenia as an advanced and perspective complement to the already exploiting research tools. The previous achievements of Armenia in the fields of radiophysics, antenna measurements, laser physics and existing relevant research would permit to initiate new promising area of research in the direction of theory and experiments of ground penetrating radars. One of the key problems in the operation of ground penetrating radars is correct analysis of peculiarities of electromagnetic wave interaction with different layers of the earth. For this, the well-known methods of electromagnetic boundary problem solutions are applied. In addition to the existing methods our research group of Fiber Optics Communication Laboratory at the State Engineering University of Armenia declares its interest in exploring the possibilities of new non-traditional method of boundary problems solution for electromagnetic wave interaction with the ground. This new method for solving boundary problems of electrodynamics is called the method of single expression (MSE) [1-3]. The distinctive feature of this method is denial from the presentation of wave equation's solution in the form of counter-propagating waves, i.e. denial from the superposition principal application. This permits to solve linear and nonlinear (field intensity-dependent) problems with the same exactness, without any approximations. It is favourable also since in solution of boundary problems in the MSE there is no necessity in applying absorbing boundary conditions at the model edges by terminating the computational domain. In the MSE the computational process starts from the rear side of any multilayer structure that ensures the uniqueness of problem solution without application of any artificial absorbing boundary conditions. Previous success of the MSE application in optical domain gives us confidence in successful extension of this method's use for solution of different problems related to electromagnetic wave interaction with the layers of the earth and buried objects in the ground. This work benefited from networking activities carried out within the EU funded COST Action TU1208 "Civil Engineering Applications of Ground Penetrating Radar." 1. H.V. Baghdasaryan, T.M. Knyazyan, 'Problem of Plane EM Wave Self-action in Multilayer Structure: an Exact Solution', Optical and Quantum Electronics, vol. 31, 1999, pp.1059-1072. 2. H.V. Baghdasaryan, T.M. Knyazyan, 'Modelling of strongly nonlinear sinusoidal Bragg gratings by the Method of Single Expression', Optical and Quantum Electronics, vol. 32, 2000, pp. 869-883. 3. H.V. Baghdasaryan, 'Basics of the Method of Single Expression: New Approach for Solving Boundary Problems in Classical Electrodynamics', Yerevan, Chartaraget, 2013.

Aqueous Plasma Pharmacy: Preparation Methods, Chemistry, and Therapeutic Applications

PubMed Central

Joslin, Jessica M.; McCall, James R.; Bzdek, Justin P.; Johnson, Derek C.; Hybertson, Brooks M.

2017-01-01

Plasma pharmacy is a subset of the broader field of plasma medicine. Although not strictly defined, the term aqueous plasma pharmacy (APP) is used to refer to the generation and distribution of reactive plasma-generated species in an aqueous solution followed by subsequent administration for therapeutic benefits. APP attempts to harness the therapeutic effects of plasma-generated oxidant species within aqueous solution in various applications, such as disinfectant solutions, cell proliferation related to wound healing, and cancer treatment. The subsequent use of plasma-generated solutions in the APP approach facilitates the delivery of reactive plasma species to internal locations within the body. Although significant efforts in the field of plasma medicine have concentrated on employing direct plasma plume exposure to cells or tissues, here we focus specifically on plasma discharge in aqueous solution to render the solution biologically active for subsequent application. Methods of plasma discharge in solution are reviewed, along with aqueous plasma chemistry and the applications for APP. The future of the field also is discussed regarding necessary research efforts that will enable commercialization for clinical deployment. PMID:28428835

Iterative methods for 3D implicit finite-difference migration using the complex Padé approximation

NASA Astrophysics Data System (ADS)

Costa, Carlos A. N.; Campos, Itamara S.; Costa, Jessé C.; Neto, Francisco A.; Schleicher, Jörg; Novais, Amélia

2013-08-01

Conventional implementations of 3D finite-difference (FD) migration use splitting techniques to accelerate performance and save computational cost. However, such techniques are plagued with numerical anisotropy that jeopardises the correct positioning of dipping reflectors in the directions not used for the operator splitting. We implement 3D downward continuation FD migration without splitting using a complex Padé approximation. In this way, the numerical anisotropy is eliminated at the expense of a computationally more intensive solution of a large-band linear system. We compare the performance of the iterative stabilized biconjugate gradient (BICGSTAB) and that of the multifrontal massively parallel direct solver (MUMPS). It turns out that the use of the complex Padé approximation not only stabilizes the solution, but also acts as an effective preconditioner for the BICGSTAB algorithm, reducing the number of iterations as compared to the implementation using the real Padé expansion. As a consequence, the iterative BICGSTAB method is more efficient than the direct MUMPS method when solving a single term in the Padé expansion. The results of both algorithms, here evaluated by computing the migration impulse response in the SEG/EAGE salt model, are of comparable quality.

A simple and rapid method for direct determination of Al(III) based on the enhanced resonance Rayleigh scattering of hemin-functionalized graphene-Al(III) system

NASA Astrophysics Data System (ADS)

Ling, Yu; Chen, Ling Xiao; Dong, Jiang Xue; Li, Nian Bing; Luo, Hong Qun

2016-03-01

A novel method for direct determination of Al(III) by using hemin-functionalized graphene (H-GO) has been established based on the enhancement of resonance Rayleigh scattering (RRS) intensity. The characteristics of RRS spectra, the optimum reaction conditions, and the reaction mechanism have been investigated. In this experiment, the Al(III) would exist in sol-gel Al(OH)3 species under the condition of pH 5.9 in aqueous solutions. When H-GO existed in the solution, the sol-gel Al(OH)3 would react with H-GO and result in enhancement of RRS intensity, owing to the enhanced hydrophobicity of H-GO surface. Therefore, a simple and rapid sensor for Al(III) was developed. The increased intensity of RRS is directly proportional to the concentration of Al(III) in the range of 10 nM-6 μM, along with a detection limit of 0.87 nM. Moreover, the sensor has been applied to determination of Al(III) concentration in real water and aspirin tablet samples with satisfactory results. Therefore, the proposed method is promising as an effective means for selective and sensitive determination of Al(III).

A symmetric version of the generalized alternating direction method of multipliers for two-block separable convex programming.

PubMed

Liu, Jing; Duan, Yongrui; Sun, Min

2017-01-01

This paper introduces a symmetric version of the generalized alternating direction method of multipliers for two-block separable convex programming with linear equality constraints, which inherits the superiorities of the classical alternating direction method of multipliers (ADMM), and which extends the feasible set of the relaxation factor α of the generalized ADMM to the infinite interval [Formula: see text]. Under the conditions that the objective function is convex and the solution set is nonempty, we establish the convergence results of the proposed method, including the global convergence, the worst-case [Formula: see text] convergence rate in both the ergodic and the non-ergodic senses, where k denotes the iteration counter. Numerical experiments to decode a sparse signal arising in compressed sensing are included to illustrate the efficiency of the new method.

A modular finite-element model (MODFE) for areal and axisymmetric ground-water-flow problems, Part 2: Derivation of finite-element equations and comparisons with analytical solutions

USGS Publications Warehouse

Cooley, Richard L.

1992-01-01

MODFE, a modular finite-element model for simulating steady- or unsteady-state, area1 or axisymmetric flow of ground water in a heterogeneous anisotropic aquifer is documented in a three-part series of reports. In this report, part 2, the finite-element equations are derived by minimizing a functional of the difference between the true and approximate hydraulic head, which produces equations that are equivalent to those obtained by either classical variational or Galerkin techniques. Spatial finite elements are triangular with linear basis functions, and temporal finite elements are one dimensional with linear basis functions. Physical processes that can be represented by the model include (1) confined flow, unconfined flow (using the Dupuit approximation), or a combination of both; (2) leakage through either rigid or elastic confining units; (3) specified recharge or discharge at points, along lines, or areally; (4) flow across specified-flow, specified-head, or head-dependent boundaries; (5) decrease of aquifer thickness to zero under extreme water-table decline and increase of aquifer thickness from zero as the water table rises; and (6) head-dependent fluxes from springs, drainage wells, leakage across riverbeds or confining units combined with aquifer dewatering, and evapotranspiration. The matrix equations produced by the finite-element method are solved by the direct symmetric-Doolittle method or the iterative modified incomplete-Cholesky conjugate-gradient method. The direct method can be efficient for small- to medium-sized problems (less than about 500 nodes), and the iterative method is generally more efficient for larger-sized problems. Comparison of finite-element solutions with analytical solutions for five example problems demonstrates that the finite-element model can yield accurate solutions to ground-water flow problems.

Exact solutions of magnetohydrodynamics for describing different structural disturbances in solar wind

NASA Astrophysics Data System (ADS)

Grib, S. A.; Leora, S. N.

2016-03-01

We use analytical methods of magnetohydrodynamics to describe the behavior of cosmic plasma. This approach makes it possible to describe different structural fields of disturbances in solar wind: shock waves, direction discontinuities, magnetic clouds and magnetic holes, and their interaction with each other and with the Earth's magnetosphere. We note that the wave problems of solar-terrestrial physics can be efficiently solved by the methods designed for solving classical problems of mathematical physics. We find that the generalized Riemann solution particularly simplifies the consideration of secondary waves in the magnetosheath and makes it possible to describe in detail the classical solutions of boundary value problems. We consider the appearance of a fast compression wave in the Earth's magnetosheath, which is reflected from the magnetosphere and can nonlinearly overturn to generate a back shock wave. We propose a new mechanism for the formation of a plateau with protons of increased density and a magnetic field trough in the magnetosheath due to slow secondary shock waves. Most of our findings are confirmed by direct observations conducted on spacecrafts (WIND, ACE, Geotail, Voyager-2, SDO and others).

Description of Panel Method Code ANTARES

NASA Technical Reports Server (NTRS)

Ulbrich, Norbert; George, Mike (Technical Monitor)

2000-01-01

Panel method code ANTARES was developed to compute wall interference corrections in a rectangular wind tunnel. The code uses point doublets to represent blockage effects and line doublets to represent lifting effects of a wind tunnel model. Subsonic compressibility effects are modeled by applying the Prandtl-Glauert transformation. The closed wall, open jet, or perforated wall boundary condition may be assigned to a wall panel centroid. The tunnel walls can be represented by using up to 8000 panels. The accuracy of panel method code ANTARES was successfully investigated by comparing solutions for the closed wall and open jet boundary condition with corresponding Method of Images solutions. Fourier transform solutions of a two-dimensional wind tunnel flow field were used to check the application of the perforated wall boundary condition. Studies showed that the accuracy of panel method code ANTARES can be improved by increasing the total number of wall panels in the circumferential direction. It was also shown that the accuracy decreases with increasing free-stream Mach number of the wind tunnel flow field.

An upwind method for the solution of the 3D Euler and Navier-Stokes equations on adaptively refined meshes

NASA Astrophysics Data System (ADS)

Aftosmis, Michael J.

1992-10-01

A new node based upwind scheme for the solution of the 3D Navier-Stokes equations on adaptively refined meshes is presented. The method uses a second-order upwind TVD scheme to integrate the convective terms, and discretizes the viscous terms with a new compact central difference technique. Grid adaptation is achieved through directional division of hexahedral cells in response to evolving features as the solution converges. The method is advanced in time with a multistage Runge-Kutta time stepping scheme. Two- and three-dimensional examples establish the accuracy of the inviscid and viscous discretization. These investigations highlight the ability of the method to produce crisp shocks, while accurately and economically resolving viscous layers. The representation of these and other structures is shown to be comparable to that obtained by structured methods. Further 3D examples demonstrate the ability of the adaptive algorithm to effectively locate and resolve multiple scale features in complex 3D flows with many interacting, viscous, and inviscid structures.

Effects of solar radiation pressure torque on the rotational motion of an artificial satellite

NASA Technical Reports Server (NTRS)

Zanardi, Maria Cecilia F. P. S.; Vilhenademoraes, Rodolpho

1992-01-01

The motion of an artificial satellite about its center of mass is studied considering torques due to the gravity gradient and direct solar radiation pressure. A model for direct solar radiation torque is derived for a circular cylindrical satellite. An analytical solution is obtained by the method of variation of the parameters. This solution shows that the angular variables have secular variation but that the modulus of the rotational angular momentum, the projection of rotational angular momentum on the z axis of the moment of inertia and inertial axis z, suffer only periodic variations. Considering a hypothetical artificial satellite, a numerical application is demonstrated.

Microencapsulated Bioactive Agents and Method of Making

NASA Technical Reports Server (NTRS)

Morrison, Dennis R. (Inventor); Mosier, Benjamin (Inventor)

2003-01-01

The invention is directed to microcapsules encapsulating an aqueous solution of a protein, drug or other bioactive substance inside a semi-permeable membrane. The microcapsules are formed by interfacial coacervation where shear forces are limited to 0-100 dynes per square centimeter. The resulting uniform microcapsules can then be subjected to dewatering in order to cause the internal solution to become supersaturated with the dissolved substance. This dewatering allows controlled nucleation and crystallization of the dissolved substance. The crystal-filled microcapsules can be stored, keeping the encapsulated crystals in good condition for further direct use in x-ray crystallography or as injectable formulations of the dissolved drug, protein or other bioactive substance.

Electrochemical method for synthesizing metal-containing particles and other objects

DOEpatents

Rondinone, Adam Justin; Ivanov, Ilia N.; Smith, Sean Campbell; Liang, Chengdu; Hensley, Dale K.; Moon, Ji-Won; Phelps, Tommy Joe

2017-05-02

The invention is directed to a method for producing metal-containing (e.g., non-oxide, oxide, or elemental) nano-objects, which may be nanoparticles or nanowires, the method comprising contacting an aqueous solution comprising a metal salt and water with an electrically powered electrode to form said metal-containing nano-objects dislodged from the electrode, wherein said electrode possesses a nanotextured surface that functions to confine the particle growth process to form said metal-containing nano-objects. The invention is also directed to the resulting metal-containing compositions as well as devices in which they are incorporated.

Numerical method for predicting flow characteristics and performance of nonaxisymmetric nozzles, theory

NASA Technical Reports Server (NTRS)

Thomas, P. D.

1979-01-01

The theoretical foundation and formulation of a numerical method for predicting the viscous flowfield in and about isolated three dimensional nozzles of geometrically complex configuration are presented. High Reynolds number turbulent flows are of primary interest for any combination of subsonic, transonic, and supersonic flow conditions inside or outside the nozzle. An alternating-direction implicit (ADI) numerical technique is employed to integrate the unsteady Navier-Stokes equations until an asymptotic steady-state solution is reached. Boundary conditions are computed with an implicit technique compatible with the ADI technique employed at interior points of the flow region. The equations are formulated and solved in a boundary-conforming curvilinear coordinate system. The curvilinear coordinate system and computational grid is generated numerically as the solution to an elliptic boundary value problem. A method is developed that automatically adjusts the elliptic system so that the interior grid spacing is controlled directly by the a priori selection of the grid spacing on the boundaries of the flow region.

About problematic peculiarities of Fault Tolerance digital regulation organization

NASA Astrophysics Data System (ADS)

Rakov, V. I.; Zakharova, O. V.

2018-05-01

The solution of problems concerning estimation of working capacity of regulation chains and possibilities of preventing situations of its violation in three directions are offered. The first direction is working out (creating) the methods of representing the regulation loop (circuit) by means of uniting (combining) diffuse components and forming algorithmic tooling for building predicates of serviceability assessment separately for the components and the for regulation loops (circuits, contours) in general. The second direction is creating methods of Fault Tolerance redundancy in the process of complex assessment of current values of control actions, closure errors and their regulated parameters. The third direction is creating methods of comparing the processes of alteration (change) of control actions, errors of closure and regulating parameters with their standard models or their surroundings. This direction allows one to develop methods and algorithmic tool means, aimed at preventing loss of serviceability and effectiveness of not only a separate digital regulator, but also the whole complex of Fault Tolerance regulation.

Genetic algorithms as global random search methods

NASA Technical Reports Server (NTRS)

Peck, Charles C.; Dhawan, Atam P.

1995-01-01

Genetic algorithm behavior is described in terms of the construction and evolution of the sampling distributions over the space of candidate solutions. This novel perspective is motivated by analysis indicating that the schema theory is inadequate for completely and properly explaining genetic algorithm behavior. Based on the proposed theory, it is argued that the similarities of candidate solutions should be exploited directly, rather than encoding candidate solutions and then exploiting their similarities. Proportional selection is characterized as a global search operator, and recombination is characterized as the search process that exploits similarities. Sequential algorithms and many deletion methods are also analyzed. It is shown that by properly constraining the search breadth of recombination operators, convergence of genetic algorithms to a global optimum can be ensured.

Method for dispersing catalyst onto particulate material and product thereof

DOEpatents

Utz, Bruce R.; Cugini, Anthony V.

1992-01-01

A method for dispersing finely divided catalyst precursors onto the surface of coal or other particulate material includes the steps of forming a wet paste mixture of the particulate material and a liquid solution containing a dissolved transition metal salt, for instance a solution of ferric nitrate. The wet paste mixture is in a state of incipient wetness with all of this solution adsorbed onto the surfaces of the particulate material without the presence of free moisture. On adding a precipitating agent such as ammonia, a catalyst precursor such as hydrated iron oxide is deposited on the surfaces of the coal. The catalyst is activated by converting it to the sulfide form for the hydrogenation or direct liquefaction of the coal.

Method for dispersing catalyst onto particulate material

DOEpatents

Utz, Bruce R.; Cugini, Anthony V.

1992-01-01

A method for dispersing finely divided catalyst precursors onto the surface of coal or other particulate material includes the steps of forming a wet paste mixture of the particulate material and a liquid solution containing a dissolved transition metal salt, for instance a solution of ferric nitrate. The wet paste mixture is in a state of incipient wetness with all of this solution adsorbed onto the surfaces of the particulate material without the presence of free moisture. On adding a precipitating agent such as ammonia, a catalyst precursor such as hydrated iron oxide is deposited on the surfaces of the coal. The catalyst is activated by converting it to the sulfide form for the hydrogenation or direct liquefaction of the coal.

Genetic algorithms as global random search methods

NASA Technical Reports Server (NTRS)

Peck, Charles C.; Dhawan, Atam P.

1995-01-01

Genetic algorithm behavior is described in terms of the construction and evolution of the sampling distributions over the space of candidate solutions. This novel perspective is motivated by analysis indicating that that schema theory is inadequate for completely and properly explaining genetic algorithm behavior. Based on the proposed theory, it is argued that the similarities of candidate solutions should be exploited directly, rather than encoding candidate solution and then exploiting their similarities. Proportional selection is characterized as a global search operator, and recombination is characterized as the search process that exploits similarities. Sequential algorithms and many deletion methods are also analyzed. It is shown that by properly constraining the search breadth of recombination operators, convergence of genetic algorithms to a global optimum can be ensured.

Direct microscopic observation of forward osmosis membrane fouling.

PubMed

Wang, Yining; Wicaksana, Filicia; Tang, Chuyang Y; Fane, Anthony G

2010-09-15

This study describes the application of a noninvasive direct microscopic observation method for characterizing fouling of a forward osmosis (FO) membrane. The effect of the draw solution concentration, membrane orientation, and feed spacer on FO fouling was systematically investigated in a cross-flow setup using latex particles as model foulant in the feedwater. Higher draw solution (DS) concentrations (and thus increased flux levels) resulted in dramatic increase in the surface coverage by latex particles, suggesting that the critical flux concept might be applicable even for the osmotically driven FO process. Under identical draw solution concentrations, the active-layer-facing-the-feed-solution orientation (AL-FS) experienced significantly less fouling compared to the alternative orientation. This may be explained by the lower water flux in AL-FS, which is consistent with the critical flux concept. The use of a feed spacer not only dramatically enhanced the initial flux of the FO membrane, but also significantly improved the flux stability during FO fouling. Despite such beneficial effects of using the feed spacer, a significant amount of particle accumulation was found near the spacer filament, suggesting further opportunities for improved spacer design. To the best of the authors' knowledge, this is the first direct microscopic observation study on FO fouling.

Business intelligence and information systems in hospitals--distribution and usage of BI and HIS in German hospitals.

PubMed

Bartsch, Patrick; Lux, Thomas; Wagner, Alexander; Gabriel, Roland

2013-01-01

This paper shows the results of a short survey taken place in February 2013 within German Hospitals. The present studies view is bottom-up and the interviews are done directly with the hospitals CIOs. There are some effects like the G-DRG implementation in Germany that are evident in the results. The survey indicates also the different methods of adapting the solutions, either by having an all-in-one solution by a single provider or by using a modular solution from multiple providers.

Solutions of the epidemic of EIAV infection by HPM

NASA Astrophysics Data System (ADS)

Balamuralitharan, S.; Geethamalini, S.

2018-04-01

In this article, Homotopy Perturbation Method (HPM) is to process of estimate to the arrangements to a model for Equine Infectious Anemia Virus (EIAV) disease. This technique allows a direct scheme for solving the problem. MATLAB is operated to complete the computations. Graphical results are displayed and discussed quantitatively and simplicity of the method.

An overview of self-consistent methods for fiber-reinforced composites

NASA Technical Reports Server (NTRS)

Gramoll, Kurt C.; Freed, Alan D.; Walker, Kevin P.

1991-01-01

The Walker et al. (1989) self-consistent method to predict both the elastic and the inelastic effective material properties of composites is examined and compared with the results of other self-consistent and elastically based solutions. The elastic part of their method is shown to be identical to other self-consistent methods for non-dilute reinforced composite materials; they are the Hill (1965), Budiansky (1965), and Nemat-Nasser et al. (1982) derivations. A simplified form of the non-dilute self-consistent method is also derived. The predicted, elastic, effective material properties for fiber reinforced material using the Walker method was found to deviate from the elasticity solution for the v sub 31, K sub 12, and mu sub 31 material properties (fiber is in the 3 direction) especially at the larger volume fractions. Also, the prediction for the transverse shear modulus, mu sub 12, exceeds one of the accepted Hashin bounds. Only the longitudinal elastic modulus E sub 33 agrees with the elasticity solution. The differences between the Walker and the elasticity solutions are primarily due to the assumption used in the derivation of the self-consistent method, i.e., the strain fields in the inclusions and the matrix are assumed to remain constant, which is not a correct assumption for a high concentration of inclusions.

Direct fluorescent antibody technique for the detection of bacterial kidney disease in paraffin-embedded tissues

USGS Publications Warehouse

Ochiai, T.; Yasutake, W.T.; Gould, R.W.

1985-01-01

The direct fluorescent antibody technique (FAT) was successfully used to detect the causative agent of bacterial kidney disease (BKD), Renibacterium salmoninarum, in Bouin's solution flexed and paraffinembedded egg and tissue sections. This method is superior to gram stain and may be particularly useful in detecting the BKD organism in fish with low-grade infection.

Application of Patterson-function direct methods to materials characterization.

PubMed

Rius, Jordi

2014-09-01

The aim of this article is a general description of the so-called Patterson-function direct methods (PFDM), from their origin to their present state. It covers a 20-year period of methodological contributions to crystal structure solution, most of them published in Acta Crystallographica Section A. The common feature of these variants of direct methods is the introduction of the experimental intensities in the form of the Fourier coefficients of origin-free Patterson-type functions, which allows the active use of both strong and weak reflections. The different optimization algorithms are discussed and their performances compared. This review focuses not only on those PFDM applications related to powder diffraction data but also on some recent results obtained with electron diffraction tomography data.

Analytical and numerical construction of vertical periodic orbits about triangular libration points based on polynomial expansion relations among directions

NASA Astrophysics Data System (ADS)

Qian, Ying-Jing; Yang, Xiao-Dong; Zhai, Guan-Qiao; Zhang, Wei

2017-08-01

Innovated by the nonlinear modes concept in the vibrational dynamics, the vertical periodic orbits around the triangular libration points are revisited for the Circular Restricted Three-body Problem. The ζ -component motion is treated as the dominant motion and the ξ and η -component motions are treated as the slave motions. The slave motions are in nature related to the dominant motion through the approximate nonlinear polynomial expansions with respect to the ζ -position and ζ -velocity during the one of the periodic orbital motions. By employing the relations among the three directions, the three-dimensional system can be transferred into one-dimensional problem. Then the approximate three-dimensional vertical periodic solution can be analytically obtained by solving the dominant motion only on ζ -direction. To demonstrate the effectiveness of the proposed method, an accuracy study was carried out to validate the polynomial expansion (PE) method. As one of the applications, the invariant nonlinear relations in polynomial expansion form are used as constraints to obtain numerical solutions by differential correction. The nonlinear relations among the directions provide an alternative point of view to explore the overall dynamics of periodic orbits around libration points with general rules.

Novel double-confined polymeric ionic liquids as sorbents for solid-phase microextraction with enhanced stability and durability in high-ionic-strength solution.

PubMed

Feng, Juanjuan; Sun, Min; Xu, Lili; Wang, Shuai; Liu, Xia; Jiang, Shengxiang

2012-12-14

Because of the occurrence of ion exchange between high-ionic-strength solution and anions of polymeric ionic liquids (PILs), PILs based solid-phase microextraction (SPME) fibers were rarely used in direct immersion mode to high-salt-added samples. In this work, a novel double-confined PIL sorbent was prepared by co-polymerization of cation and anion of 1-vinyl-3-octylimidzaolium p-styrenesulfonate (VOIm(+)SS(-)). The poly(VOIm(+)-SS(-)) was chemically bonded onto functionalized stainless steel wire via surface radical chain-transfer reaction. Stability of poly(VOIm(+)-SS(-)) in high-ionic-strength solution was investigated and compared with that of poly(1-vinyl-3-octylimidzaolium benzenesulfonate) (poly(VOIm(+)BS(-))) by elemental analysis of sulfur element, and results turned out that the poly(VOIm(+)-SS(-)) was more stable. Coupled to gas chromatography (GC), the poly(VOIm(+)-SS(-)) fiber was used to extract three sorts of compounds including anilines, phenols and phthalate esters in aqueous solution. The as-established method showed good linearity, low detection limits, and acceptable repeatability. The direct immersion SPME-GC method was applied to determine the model phthalate esters in bottled mineral water. The determination results were satisfactory. Copyright © 2012 Elsevier B.V. All rights reserved.

An Allosteric Coagonist Model for Propofol Effects on α1β2γ2L γ-Aminobutyric Acid Type A Receptors

PubMed Central

Ruesch, Dirk; Neumann, Elena; Wulf, Hinnerk; Forman, Stuart A.

2011-01-01

Background Propofol produces its major actions via γ-aminobutyric acid type A (GABAA) receptors. At low concentrations, propofol enhances agonist-stimulated GABAA receptor activity, and high propofol concentrations directly activate receptors. Etomidate produces similar effects, and there is convincing evidence that a single class of etomidate sites mediate both agonist modulation and direct GABAA receptor activation. It is unknown if the propofol binding site(s) on GABAA receptors that modulate agonist-induced activity also mediate direct activation. Methods GABAA α1β2γ2L receptors were heterologously expressed in Xenopus oocytes and activity was quantified using voltage clamp electrophysiology. We tested whether propofol and etomidate display the same linkage between agonist modulation and direct activation of GABAA receptors by identifying equi-efficacious drug solutions for direct activation. We then determined whether these drug solutions produce equal modulation of GABA-induced receptor activity. We also measured propofol-dependent direct activation and modulation of low GABA responses. Allosteric coagonist models similar to that established for etomidate, but with variable numbers of propofol sites, were fitted to combined data. Results Solutions of 19 μM propofol and 10 μM etomidate were found to equally activate GABAA receptors. These two drug solutions also produced indistinguishable modulation of GABA-induced receptor activity. Combined electrophysiological data behaved in a manner consistent with allosteric co-agonist models with more than one propofol site. The best fit was observed when the model assumed three equivalent propofol sites. Conclusions Our results support the hypothesis that propofol, like etomidate, acts at GABAA receptor sites mediating both GABA modulation and direct activation. PMID:22104494

A simple modification of the Baermann method for diagnosis of strongyloidiasis.

PubMed

Hernández-Chavarría, F; Avendaño, L

2001-08-01

The diagnosis of Strongyloides stercoralis infections is routinely made by microscopic observation of larvae in stool samples, a low sensitivity method, or by other, most effective methods, such as the Baermann or agar culture plate methods. We propose in this paper a practical modification of Baermann method. One hundred and six stool samples from alcoholic patients were analyzed using the direct smear test, agar culture plate method, the standard Baermann method, and its proposed modification. For this modification the funnel used in the original version of the method is substituted by a test tube with a rubber stopper, perforated to allow insertion of a pipette tip. The tube with a fecal suspension is inverted over another tube containing 6 ml of saline solution and incubated at 37 degrees C for at least 2 h. The saline solution from the second tube is centrifuged and the pellet is observed microscopically. Larva of S. stercoralis were detected in six samples (5.7%) by the two versions of the Baermann method. Five samples were positive using the agar culture plate method, and only in two samples the larva were observed using direct microscopic observation of fecal smears. Cysts of Endolimax nana and Entamoeba histolytica/dyspar were also detected in the modification of Baermann method. Data obtained by the modified Baermann method suggest that this methodology may helps concentrate larvae of S. stercoralis as efficiently as the original method.

Theoretical aspects for estimating anisotropic saturated hydraulic conductivity from in-well or direct-push probe injection tests in uniform media

NASA Astrophysics Data System (ADS)

Klammler, Harald; Layton, Leif; Nemer, Bassel; Hatfield, Kirk; Mohseni, Ana

2017-06-01

Hydraulic conductivity and its anisotropy are fundamental aquifer properties for groundwater flow and transport modeling. Current in-well or direct-push field measurement techniques allow for relatively quick determination of general conductivity profiles with depth. However, capabilities for identifying local scale conductivities in the horizontal and vertical directions are very limited. Here, we develop the theoretical basis for estimating horizontal and vertical conductivities from different types of steady-state single-well/probe injection tests under saturated conditions and in the absence of a well skin. We explore existing solutions and a recent semi-analytical solution approach to the flow problem under the assumption that the aquifer is locally homogeneous. The methods are based on the collection of an additional piece of information in the form of a second injection (or recirculation) test at a same location, or in the form of an additional head or flow observation along the well/probe. Results are represented in dimensionless charts for partial validation against approximate solutions and for practical application to test interpretation. The charts further allow for optimization of a test configuration to maximize sensitivity to anisotropy ratio. The two methods most sensitive to anisotropy are found to be (1) subsequent injection from a lateral screen and from the bottom of an otherwise cased borehole, and (2) single injection from a lateral screen with an additional head observation along the casing. Results may also be relevant for attributing consistent divergences in conductivity measurements from different testing methods applied at a same site or location to the potential effects of anisotropy. Some practical aspects are discussed and references are made to existing methods, which appear easily compatible with the proposed procedures.

Lightning Radio Source Retrieval Using Advanced Lightning Direction Finder (ALDF) Networks

NASA Technical Reports Server (NTRS)

Koshak, William J.; Blakeslee, Richard J.; Bailey, J. C.

1998-01-01

A linear algebraic solution is provided for the problem of retrieving the location and time of occurrence of lightning ground strikes from an Advanced Lightning Direction Finder (ALDF) network. The ALDF network measures field strength, magnetic bearing and arrival time of lightning radio emissions. Solutions for the plane (i.e., no Earth curvature) are provided that implement all of tile measurements mentioned above. Tests of the retrieval method are provided using computer-simulated data sets. We also introduce a quadratic planar solution that is useful when only three arrival time measurements are available. The algebra of the quadratic root results are examined in detail to clarify what portions of the analysis region lead to fundamental ambiguities in source location. Complex root results are shown to be associated with the presence of measurement errors when the lightning source lies near an outer sensor baseline of the ALDF network. In the absence of measurement errors, quadratic root degeneracy (no source location ambiguity) is shown to exist exactly on the outer sensor baselines for arbitrary non-collinear network geometries. The accuracy of the quadratic planar method is tested with computer generated data sets. The results are generally better than those obtained from the three station linear planar method when bearing errors are about 2 deg. We also note some of the advantages and disadvantages of these methods over the nonlinear method of chi(sup 2) minimization employed by the National Lightning Detection Network (NLDN) and discussed in Cummins et al.(1993, 1995, 1998).

Interactive program for analysis and design problems in advanced composites technology

NASA Technical Reports Server (NTRS)

Cruse, T. A.; Swedlow, J. L.

1971-01-01

During the past year an experimental program in the fracture of advanced fiber composites has been completed. The experimental program has given direction to additional experimental and theoretical work. A synthesis program for designing low weight multifastener joints in composites is proposed, based on extensive analytical background. A number of failed joints have been thoroughly analyzed to evaluate the failure hypothesis used in the synthesis procedure. Finally, a new solution is reported for isotropic and anisotropic laminates using the boundary-integral method. The solution method offers significant savings of computer core and time for important problems.

Adjoint Sensitivity Analysis of Orbital Mechanics: Application to Computations of Observables' Partials with Respect to Harmonics of the Planetary Gravity Fields

NASA Technical Reports Server (NTRS)

Ustinov, Eugene A.; Sunseri, Richard F.

2005-01-01

An approach is presented to the inversion of gravity fields based on evaluation of partials of observables with respect to gravity harmonics using the solution of adjoint problem of orbital dynamics of the spacecraft. Corresponding adjoint operator is derived directly from the linear operator of the linearized forward problem of orbital dynamics. The resulting adjoint problem is similar to the forward problem and can be solved by the same methods. For given highest degree N of gravity harmonics desired, this method involves integration of N adjoint solutions as compared to integration of N2 partials of the forward solution with respect to gravity harmonics in the conventional approach. Thus, for higher resolution gravity models, this approach becomes increasingly more effective in terms of computer resources as compared to the approach based on the solution of the forward problem of orbital dynamics.

An Exact Dual Adjoint Solution Method for Turbulent Flows on Unstructured Grids

NASA Technical Reports Server (NTRS)

Nielsen, Eric J.; Lu, James; Park, Michael A.; Darmofal, David L.

2003-01-01

An algorithm for solving the discrete adjoint system based on an unstructured-grid discretization of the Navier-Stokes equations is presented. The method is constructed such that an adjoint solution exactly dual to a direct differentiation approach is recovered at each time step, yielding a convergence rate which is asymptotically equivalent to that of the primal system. The new approach is implemented within a three-dimensional unstructured-grid framework and results are presented for inviscid, laminar, and turbulent flows. Improvements to the baseline solution algorithm, such as line-implicit relaxation and a tight coupling of the turbulence model, are also presented. By storing nearest-neighbor terms in the residual computation, the dual scheme is computationally efficient, while requiring twice the memory of the flow solution. The scheme is expected to have a broad impact on computational problems related to design optimization as well as error estimation and grid adaptation efforts.

An unsteady aerodynamic formulation for efficient rotor tonal noise prediction

NASA Astrophysics Data System (ADS)

Gennaretti, M.; Testa, C.; Bernardini, G.

2013-12-01

An aerodynamic/aeroacoustic solution methodology for predction of tonal noise emitted by helicopter rotors and propellers is presented. It is particularly suited for configurations dominated by localized, high-frequency inflow velocity fields as those generated by blade-vortex interactions. The unsteady pressure distributions are determined by the sectional, frequency-domain Küssner-Schwarz formulation, with downwash including the wake inflow velocity predicted by a three-dimensional, unsteady, panel-method formulation suited for the analysis of rotors operating in complex aerodynamic environments. The radiated noise is predicted through solution of the Ffowcs Williams-Hawkings equation. The proposed approach yields a computationally efficient solution procedure that may be particularly useful in preliminary design/multidisciplinary optimization applications. It is validated through comparisons with solutions that apply the airloads directly evaluated by the time-marching, panel-method formulation. The results are provided in terms of blade loads, noise signatures and sound pressure level contours. An estimation of the computational efficiency of the proposed solution process is also presented.

Development of indirect EFBEM for radiating noise analysis including underwater problems

NASA Astrophysics Data System (ADS)

Kwon, Hyun-Wung; Hong, Suk-Yoon; Song, Jee-Hun

2013-09-01

For the analysis of radiating noise problems in medium-to-high frequency ranges, the Energy Flow Boundary Element Method (EFBEM) was developed. EFBEM is the analysis technique that applies the Boundary Element Method (BEM) to Energy Flow Analysis (EFA). The fundamental solutions representing spherical wave property for radiating noise problems in open field and considering the free surface effect in underwater are developed. Also the directivity factor is developed to express wave's directivity patterns in medium-to-high frequency ranges. Indirect EFBEM by using fundamental solutions and fictitious source was applied to open field and underwater noise problems successfully. Through numerical applications, the acoustic energy density distributions due to vibration of a simple plate model and a sphere model were compared with those of commercial code, and the comparison showed good agreement in the level and pattern of the energy density distributions.

Rapid determination of molar mass in modified Archibald experiments using direct fitting of the Lamm equation.

PubMed

Schuck, P; Millar, D B

1998-05-15

A new method is described that allows measurement of the molar mass of the solute within 15 to 30 min after start of a conventional long-column sedimentation equilibrium experiment. A series of scans of the concentration distribution in close vicinity of the meniscus, taken in rapid succession after the start of the centrifuge run, is analyzed by direct fitting using the Lamm equation and the Svedberg equation. In case of a single solute, this analysis of the initial depletion at the meniscus reveals its buoyant molar mass and sedimentation coefficient with an accuracy of approximately 10% and provides gross information about sample heterogeneity. This method can be used to study macromolecules that do not possess the prolonged stability needed in conventional sedimentation equilibrium experiments and it can increase the efficiency of sedimentation equilibrium experiments of previously uncharacterized samples.

Inverse atmospheric radiative transfer problems - A nonlinear minimization search method of solution. [aerosol pollution monitoring

NASA Technical Reports Server (NTRS)

Fymat, A. L.

1976-01-01

The paper studies the inversion of the radiative transfer equation describing the interaction of electromagnetic radiation with atmospheric aerosols. The interaction can be considered as the propagation in the aerosol medium of two light beams: the direct beam in the line-of-sight attenuated by absorption and scattering, and the diffuse beam arising from scattering into the viewing direction, which propagates more or less in random fashion. The latter beam has single scattering and multiple scattering contributions. In the former case and for single scattering, the problem is reducible to first-kind Fredholm equations, while for multiple scattering it is necessary to invert partial integrodifferential equations. A nonlinear minimization search method, applicable to the solution of both types of problems has been developed, and is applied here to the problem of monitoring aerosol pollution, namely the complex refractive index and size distribution of aerosol particles.

Integrability: mathematical methods for studying solitary waves theory

NASA Astrophysics Data System (ADS)

Wazwaz, Abdul-Majid

2014-03-01

In recent decades, substantial experimental research efforts have been devoted to linear and nonlinear physical phenomena. In particular, studies of integrable nonlinear equations in solitary waves theory have attracted intensive interest from mathematicians, with the principal goal of fostering the development of new methods, and physicists, who are seeking solutions that represent physical phenomena and to form a bridge between mathematical results and scientific structures. The aim for both groups is to build up our current understanding and facilitate future developments, develop more creative results and create new trends in the rapidly developing field of solitary waves. The notion of the integrability of certain partial differential equations occupies an important role in current and future trends, but a unified rigorous definition of the integrability of differential equations still does not exist. For example, an integrable model in the Painlevé sense may not be integrable in the Lax sense. The Painlevé sense indicates that the solution can be represented as a Laurent series in powers of some function that vanishes on an arbitrary surface with the possibility of truncating the Laurent series at finite powers of this function. The concept of Lax pairs introduces another meaning of the notion of integrability. The Lax pair formulates the integrability of nonlinear equation as the compatibility condition of two linear equations. However, it was shown by many researchers that the necessary integrability conditions are the existence of an infinite series of generalized symmetries or conservation laws for the given equation. The existence of multiple soliton solutions often indicates the integrability of the equation but other tests, such as the Painlevé test or the Lax pair, are necessary to confirm the integrability for any equation. In the context of completely integrable equations, studies are flourishing because these equations are able to describe the real features in a variety of vital areas in science, technology and engineering. In recognition of the importance of solitary waves theory and the underlying concept of integrable equations, a variety of powerful methods have been developed to carry out the required analysis. Examples of such methods which have been advanced are the inverse scattering method, the Hirota bilinear method, the simplified Hirota method, the Bäcklund transformation method, the Darboux transformation, the Pfaffian technique, the Painlevé analysis, the generalized symmetry method, the subsidiary ordinary differential equation method, the coupled amplitude-phase formulation, the sine-cosine method, the sech-tanh method, the mapping and deformation approach and many new other methods. The inverse scattering method, viewed as a nonlinear analogue of the Fourier transform method, is a powerful approach that demonstrates the existence of soliton solutions through intensive computations. At the center of the theory of integrable equations lies the bilinear forms and Hirota's direct method, which can be used to obtain soliton solutions by using exponentials. The Bäcklund transformation method is a useful invariant transformation that transforms one solution into another of a differential equation. The Darboux transformation method is a well known tool in the theory of integrable systems. It is believed that there is a connection between the Bäcklund transformation and the Darboux transformation, but it is as yet not known. Archetypes of integrable equations are the Korteweg-de Vries (KdV) equation, the modified KdV equation, the sine-Gordon equation, the Schrödinger equation, the Vakhnenko equation, the KdV6 equation, the Burgers equation, the fifth-order Lax equation and many others. These equations yield soliton solutions, multiple soliton solutions, breather solutions, quasi-periodic solutions, kink solutions, homo-clinic solutions and other solutions as well. The couplings of linear and nonlinear equations were recently discovered and subsequently received considerable attention. The concept of couplings forms a new direction for developing innovative construction methods. The recently obtained results in solitary waves theory highlight new approaches for additional creative ideas, promising further achievements and increased progress in this field. We are grateful to all of the authors who accepted our invitation to contribute to this comment section.

Trace elemental analysis of glass and paint samples of forensic interest by ICP-MS using laser ablation solid sample introduction

NASA Astrophysics Data System (ADS)

Almirall, Jose R.; Trejos, Tatiana; Hobbs, Andria; Furton, Kenneth G.

2003-09-01

The importance of small amounts of glass and paint evidence as a means to associate a crime event to a suspect or a suspect to another individual has been demonstrated in many cases. Glass is a fragile material that is often found at the scenes of crimes such as burglaries, hit-and-run accidents and violent crime offenses. Previous work has demonstrated the utility of elemental analysis by solution ICP-MS of small amounts of glass for the comparison between a fragment found at a crime scene to a possible source of the glass. The multi-element capability and the sensitivity of ICP-MS combined with the simplified sample introduction of laser ablation prior to ion detection provides for an excellent and relatively non-destructive technique for elemental analysis of glass fragments. The direct solid sample introduction technique of laser ablation (LA) is reported as an alternative to the solution method. Direct solid sampling provides several advantages over solution methods and shows great potential for a number of solid sample analyses in forensic science. The advantages of laser ablation include the simplification of sample preparation, thereby reducing the time and complexity of the analysis, the elimination of handling acid dissolution reagents such as HF and the reduction of sources of interferences in the ionization plasma. Direct sampling also provides for essentially "non-destructive" sampling due to the removal of very small amounts of sample needed for analysis. The discrimination potential of LA-ICP-MS is compared with previously reported solution ICP-MS methods using external calibration with internal standardization and a newly reported solution isotope dilution (ID) method. A total of ninety-one different glass samples were used for the comparison study using the techniques mentioned. One set consisted of forty-five headlamps taken from a variety of automobiles representing a range of twenty years of manufacturing dates. A second set consisted of forty-six automotive glasses (side windows and windshields) representing casework glass from different vehicle manufacturers over several years was also characterized by RI and elemental composition analysis. The solution sample introduction techniques (external calibration and isotope dilution) provide for excellent sensitivity and precision but have the disadvantages of destroying the sample and also involve complex sample preparation. The laser ablation method was simpler, faster and produced comparable discrimination to the EC-ICP-MS and ID-ICP-MS. LA-ICP-MS can provide for an excellent alternative to solution analysis of glass in forensic casework samples. Paints and coatings are frequently encountered as trace evidence samples submitted to forensic science laboratories. A LA-ICP-MS method has been developed to complement the commonly used techniques in forensic laboratories in order to better characterize these samples for forensic purposes. Time-resolved plots of each sample can be compared to associate samples to each other or to discriminate between samples. Additionally, the concentration of lead and the ratios of other elements have been determined in various automotive paints by the reported method. A sample set of eighteen (18) survey automotive paint samples have been analyzed with the developed method in order to determine the utility of LA-ICP-MS and to compare the method to the more commonly used scanning electron microscopy (SEM) method for elemental characterization of paint layers in forensic casework.

Evaluation of solution procedures for material and/or geometrically nonlinear structural analysis by the direct stiffness method.

NASA Technical Reports Server (NTRS)

Stricklin, J. A.; Haisler, W. E.; Von Riesemann, W. A.

1972-01-01

This paper presents an assessment of the solution procedures available for the analysis of inelastic and/or large deflection structural behavior. A literature survey is given which summarized the contribution of other researchers in the analysis of structural problems exhibiting material nonlinearities and combined geometric-material nonlinearities. Attention is focused at evaluating the available computation and solution techniques. Each of the solution techniques is developed from a common equation of equilibrium in terms of pseudo forces. The solution procedures are applied to circular plates and shells of revolution in an attempt to compare and evaluate each with respect to computational accuracy, economy, and efficiency. Based on the numerical studies, observations and comments are made with regard to the accuracy and economy of each solution technique.

Direct determination of surface albedos from satellite imagery

NASA Technical Reports Server (NTRS)

Mekler, Y.; Joseph, J. H.

1983-01-01

An empirical method to measure the spectral surface albedo of surfaces from Landsat imagery is presented and analyzed. The empiricism in the method is due only to the fact that three parameters of the solution must be determined for each spectral photograph of an image on the basis of independently known albedos at three points. The approach is otherwise based on exact solutions of the radiative transfer equation for upwelling intensity. Application of the method allows the routine construction of spectral albedo maps from satelite imagery, without requiring detailed knowledge of the atmospheric aerosol content, as long as the optical depth is less than 0.75, and of the calibration of the satellite sensor.

Aerodynamic optimization studies on advanced architecture computers

NASA Technical Reports Server (NTRS)

Chawla, Kalpana

1995-01-01

The approach to carrying out multi-discipline aerospace design studies in the future, especially in massively parallel computing environments, comprises of choosing (1) suitable solvers to compute solutions to equations characterizing a discipline, and (2) efficient optimization methods. In addition, for aerodynamic optimization problems, (3) smart methodologies must be selected to modify the surface shape. In this research effort, a 'direct' optimization method is implemented on the Cray C-90 to improve aerodynamic design. It is coupled with an existing implicit Navier-Stokes solver, OVERFLOW, to compute flow solutions. The optimization method is chosen such that it can accomodate multi-discipline optimization in future computations. In the work , however, only single discipline aerodynamic optimization will be included.

Solution of Poisson equations for 3-dimensional grid generations. [computations of a flow field over a thin delta wing

NASA Technical Reports Server (NTRS)

Fujii, K.

1983-01-01

A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

A fast approach to designing airfoils from given pressure distribution in compressible flows

NASA Technical Reports Server (NTRS)

Daripa, Prabir

1987-01-01

A new inverse method for aerodynamic design of airfols is presented for subcritical flows. The pressure distribution in this method can be prescribed as a function of the arc length of the as-yet unknown body. This inverse problem is shown to be mathematically equivalent to solving only one nonlinear boundary value problem subject to known Dirichlet data on the boundary. The solution to this problem determines the airfoil, the freestream Mach number, and the upstream flow direction. The existence of a solution to a given pressure distribution is discussed. The method is easy to implement and extremely efficient. A series of results for which comparisons are made with the known airfoils is presented.

ACCURATE CHEMICAL MASTER EQUATION SOLUTION USING MULTI-FINITE BUFFERS

PubMed Central

Cao, Youfang; Terebus, Anna; Liang, Jie

2016-01-01

The discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multi-scale nature of many networks where reaction rates have large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the Accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multi-finite buffers for reducing the state space by O(n!), exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes, and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be pre-computed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multi-scale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks. PMID:27761104

Analysis of periodically excited non-linear systems by a parametric continuation technique

NASA Astrophysics Data System (ADS)

Padmanabhan, C.; Singh, R.

1995-07-01

The dynamic behavior and frequency response of harmonically excited piecewise linear and/or non-linear systems has been the subject of several recent investigations. Most of the prior studies employed harmonic balance or Galerkin schemes, piecewise linear techniques, analog simulation and/or direct numerical integration (digital simulation). Such techniques are somewhat limited in their ability to predict all of the dynamic characteristics, including bifurcations leading to the occurrence of unstable, subharmonic, quasi-periodic and/or chaotic solutions. To overcome this problem, a parametric continuation scheme, based on the shooting method, is applied specifically to a periodically excited piecewise linear/non-linear system, in order to improve understanding as well as to obtain the complete dynamic response. Parameter regions exhibiting bifurcations to harmonic, subharmonic or quasi-periodic solutions are obtained quite efficiently and systematically. Unlike other techniques, the proposed scheme can follow period-doubling bifurcations, and with some modifications obtain stable quasi-periodic solutions and their bifurcations. This knowledge is essential in establishing conditions for the occurrence of chaotic oscillations in any non-linear system. The method is first validated through the Duffing oscillator example, the solutions to which are also obtained by conventional one-term harmonic balance and perturbation methods. The second example deals with a clearance non-linearity problem for both harmonic and periodic excitations. Predictions from the proposed scheme match well with available analog simulation data as well as with multi-term harmonic balance results. Potential savings in computational time over direct numerical integration is demonstrated for some of the example cases. Also, this work has filled in some of the solution regimes for an impact pair, which were missed previously in the literature. Finally, one main limitation associated with the proposed procedure is discussed.

Krylov-Subspace Recycling via the POD-Augmented Conjugate-Gradient Method

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

Carlberg, Kevin; Forstall, Virginia; Tuminaro, Ray

This paper presents a new Krylov-subspace-recycling method for efficiently solving sequences of linear systems of equations characterized by varying right-hand sides and symmetric-positive-definite matrices. As opposed to typical truncation strategies used in recycling such as deflation, we propose a truncation method inspired by goal-oriented proper orthogonal decomposition (POD) from model reduction. This idea is based on the observation that model reduction aims to compute a low-dimensional subspace that contains an accurate solution; as such, we expect the proposed method to generate a low-dimensional subspace that is well suited for computing solutions that can satisfy inexact tolerances. In particular, we proposemore » specific goal-oriented POD `ingredients' that align the optimality properties of POD with the objective of Krylov-subspace recycling. To compute solutions in the resulting 'augmented' POD subspace, we propose a hybrid direct/iterative three-stage method that leverages 1) the optimal ordering of POD basis vectors, and 2) well-conditioned reduced matrices. Numerical experiments performed on solid-mechanics problems highlight the benefits of the proposed method over existing approaches for Krylov-subspace recycling.« less

Krylov-Subspace Recycling via the POD-Augmented Conjugate-Gradient Method

DOE PAGES

Carlberg, Kevin; Forstall, Virginia; Tuminaro, Ray

2016-01-01

This paper presents a new Krylov-subspace-recycling method for efficiently solving sequences of linear systems of equations characterized by varying right-hand sides and symmetric-positive-definite matrices. As opposed to typical truncation strategies used in recycling such as deflation, we propose a truncation method inspired by goal-oriented proper orthogonal decomposition (POD) from model reduction. This idea is based on the observation that model reduction aims to compute a low-dimensional subspace that contains an accurate solution; as such, we expect the proposed method to generate a low-dimensional subspace that is well suited for computing solutions that can satisfy inexact tolerances. In particular, we proposemore » specific goal-oriented POD `ingredients' that align the optimality properties of POD with the objective of Krylov-subspace recycling. To compute solutions in the resulting 'augmented' POD subspace, we propose a hybrid direct/iterative three-stage method that leverages 1) the optimal ordering of POD basis vectors, and 2) well-conditioned reduced matrices. Numerical experiments performed on solid-mechanics problems highlight the benefits of the proposed method over existing approaches for Krylov-subspace recycling.« less

Analytically-derived sensitivities in one-dimensional models of solute transport in porous media

USGS Publications Warehouse

Knopman, D.S.

1987-01-01

Analytically-derived sensitivities are presented for parameters in one-dimensional models of solute transport in porous media. Sensitivities were derived by direct differentiation of closed form solutions for each of the odel, and by a time integral method for two of the models. Models are based on the advection-dispersion equation and include adsorption and first-order chemical decay. Boundary conditions considered are: a constant step input of solute, constant flux input of solute, and exponentially decaying input of solute at the upstream boundary. A zero flux is assumed at the downstream boundary. Initial conditions include a constant and spatially varying distribution of solute. One model simulates the mixing of solute in an observation well from individual layers in a multilayer aquifer system. Computer programs produce output files compatible with graphics software in which sensitivities are plotted as a function of either time or space. (USGS)

Using the liquid nature of the stationary phase in countercurrent chromatography. IV. The cocurrent CCC method.

PubMed

Berthod, Alain; Hassoun, Mahmoud

2006-05-26

The retention volumes of solutes in countercurrent chromatography (CCC) are directly proportional to their distribution coefficients, K(D) in the biphasic liquid system used as mobile and stationary phase in the CCC column. The cocurrent CCC method consists in putting the liquid "stationary" phase in slow motion in the same direction as the mobile phase. A mixture of five steroid compounds of widely differing polarities was used as a test mixture to evaluate the capabilities of the method with the biphasic liquid system made of water/methanol/ethyl acetate/heptane 6/5/6/5 (v/v) and a 53 mL CCC column of the coil planet centrifuge type. It is shown that the chromatographic resolution obtained in cocurrent CCC is very good because the solute band broadening is minimized as long as the solute is located inside the "stationary" phase. Pushing the method at its limits, it is demonstrated that the five steroids can still be (partly) separated when the flow rate of the two liquid phases is the same (2 mL/min). This is due to the higher volume of upper phase (72% of the column volume) contained inside the CCC column producing a lower linear speed compared to the aqueous lower phase linear speed. The capabilities of the cocurrent CCC method compare well with those of the gradient elution method in HPLC. Continuous detection is a problem due to the fact that two immiscible liquid phases elute from the column. It was partly solved using an evaporative light scattering detector.

Grafting of thermo-sensitive N-vinylcaprolactam onto silicone rubber through the direct radiation method

NASA Astrophysics Data System (ADS)

Valencia-Mora, Ricardo A.; Zavala-Lagunes, Edgar; Bucio, Emilio

2016-07-01

The modification of silicone rubber films (SR) was performed by radiation-induced graft polymerization of thermosensitive poly(N-vinylcaprolactam) (PNVCL) using gamma rays from a Co-60 source. The graft polymerization was obtained by a direct radiation method with doses from 5 to 70 kGy, at monomer concentrations between 5% and 70% in toluene. Grafting was confirmed by infrared, differential scanning calorimetry, thermogravimetric analysis, and swelling studies. The lower critical solution temperature (LCST) of the grafted SR was measured by swelling and differential scanning calorimetry.

Direct discontinuous Galerkin method and its variations for second order elliptic equations

DOE PAGES

Huang, Hongying; Chen, Zheng; Li, Jin; ...

2016-08-23

In this study, we study direct discontinuous Galerkin method (Liu and Yan in SIAM J Numer Anal 47(1):475–698, 2009) and its variations (Liu and Yan in Commun Comput Phys 8(3):541–564, 2010; Vidden and Yan in J Comput Math 31(6):638–662, 2013; Yan in J Sci Comput 54(2–3):663–683, 2013) for 2nd order elliptic problems. A priori error estimate under energy norm is established for all four methods. Optimal error estimate under L 2 norm is obtained for DDG method with interface correction (Liu and Yan in Commun Comput Phys 8(3):541–564, 2010) and symmetric DDG method (Vidden and Yan in J Comput Mathmore » 31(6):638–662, 2013). A series of numerical examples are carried out to illustrate the accuracy and capability of the schemes. Numerically we obtain optimal (k+1)th order convergence for DDG method with interface correction and symmetric DDG method on nonuniform and unstructured triangular meshes. An interface problem with discontinuous diffusion coefficients is investigated and optimal (k+1)th order accuracy is obtained. Peak solutions with sharp transitions are captured well. Highly oscillatory wave solutions of Helmholz equation are well resolved.« less

Direct discontinuous Galerkin method and its variations for second order elliptic equations

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

Huang, Hongying; Chen, Zheng; Li, Jin

In this study, we study direct discontinuous Galerkin method (Liu and Yan in SIAM J Numer Anal 47(1):475–698, 2009) and its variations (Liu and Yan in Commun Comput Phys 8(3):541–564, 2010; Vidden and Yan in J Comput Math 31(6):638–662, 2013; Yan in J Sci Comput 54(2–3):663–683, 2013) for 2nd order elliptic problems. A priori error estimate under energy norm is established for all four methods. Optimal error estimate under L 2 norm is obtained for DDG method with interface correction (Liu and Yan in Commun Comput Phys 8(3):541–564, 2010) and symmetric DDG method (Vidden and Yan in J Comput Mathmore » 31(6):638–662, 2013). A series of numerical examples are carried out to illustrate the accuracy and capability of the schemes. Numerically we obtain optimal (k+1)th order convergence for DDG method with interface correction and symmetric DDG method on nonuniform and unstructured triangular meshes. An interface problem with discontinuous diffusion coefficients is investigated and optimal (k+1)th order accuracy is obtained. Peak solutions with sharp transitions are captured well. Highly oscillatory wave solutions of Helmholz equation are well resolved.« less

Decontamination of Anthrax spores in critical infrastructure and critical assets.

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

Boucher, Raymond M.; Crown, Kevin K.; Tucker, Mark David

2010-05-01

Decontamination of anthrax spores in critical infrastructure (e.g., subway systems, major airports) and critical assets (e.g., the interior of aircraft) can be challenging because effective decontaminants can damage materials. Current decontamination methods require the use of highly toxic and/or highly corrosive chemical solutions because bacterial spores are very difficult to kill. Bacterial spores such as Bacillus anthracis, the infectious agent of anthrax, are one of the most resistant forms of life and are several orders of magnitude more difficult to kill than their associated vegetative cells. Remediation of facilities and other spaces (e.g., subways, airports, and the interior of aircraft)more » contaminated with anthrax spores currently requires highly toxic and corrosive chemicals such as chlorine dioxide gas, vapor- phase hydrogen peroxide, or high-strength bleach, typically requiring complex deployment methods. We have developed a non-toxic, non-corrosive decontamination method to kill highly resistant bacterial spores in critical infrastructure and critical assets. A chemical solution that triggers the germination process in bacterial spores and causes those spores to rapidly and completely change to much less-resistant vegetative cells that can be easily killed. Vegetative cells are then exposed to mild chemicals (e.g., low concentrations of hydrogen peroxide, quaternary ammonium compounds, alcohols, aldehydes, etc.) or natural elements (e.g., heat, humidity, ultraviolet light, etc.) for complete and rapid kill. Our process employs a novel germination solution consisting of low-cost, non-toxic and non-corrosive chemicals. We are testing both direct surface application and aerosol delivery of the solutions. A key Homeland Security need is to develop the capability to rapidly recover from an attack utilizing biological warfare agents. This project will provide the capability to rapidly and safely decontaminate critical facilities and assets to return them to normal operations as quickly as possible, sparing significant economic damage by re-opening critical facilities more rapidly and safely. Facilities and assets contaminated with Bacillus anthracis (i.e., anthrax) spores can be decontaminated with mild chemicals as compared to the harsh chemicals currently needed. Both the 'germination' solution and the 'kill' solution are constructed of 'off-the-shelf,' inexpensive chemicals. The method can be utilized by directly spraying the solutions onto exposed surfaces or by application of the solutions as aerosols (i.e., small droplets), which can also reach hidden surfaces.« less

Structure of solar coronal streamers

NASA Astrophysics Data System (ADS)

Schultz, C. G.

The present, direct method for the solution of generalized potential problems works outward from an O-point, under an assumption of the existence of flux surfaces. At each flux surface, a Fourier filter is used for the flux surface length variable to prevent numerical error amplifications, and the value of the inverse curvature radius and the normal direction are filtered to avoid the effects of local wrinkles.

Process modelling for materials preparation experiments

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Alexander, J. Iwan D.

1994-01-01

The main goals of the research under this grant consist of the development of mathematical tools and measurement techniques for transport properties necessary for high fidelity modelling of crystal growth from the melt and solution. Of the tasks described in detail in the original proposal, two remain to be worked on: development of a spectral code for moving boundary problems, and development of an expedient diffusivity measurement technique for concentrated and supersaturated solutions. We have focused on developing a code to solve for interface shape, heat and species transport during directional solidification. The work involved the computation of heat, mass and momentum transfer during Bridgman-Stockbarger solidification of compound semiconductors. Domain decomposition techniques and preconditioning methods were used in conjunction with Chebyshev spectral methods to accelerate convergence while retaining the high-order spectral accuracy. During the report period we have further improved our experimental setup. These improvements include: temperature control of the measurement cell to 0.1 C between 10 and 60 C; enclosure of the optical measurement path outside the ZYGO interferometer in a metal housing that is temperature controlled to the same temperature setting as the measurement cell; simultaneous dispensing and partial removal of the lower concentration (lighter) solution above the higher concentration (heavier) solution through independently motor-driven syringes; three-fold increase in data resolution by orientation of the interferometer with respect to diffusion direction; and increase of the optical path length in the solution cell to 12 mm.

Methods for the calculation of axial wave numbers in lined ducts with mean flow

NASA Technical Reports Server (NTRS)

Eversman, W.

1981-01-01

A survey is made of the methods available for the calculation of axial wave numbers in lined ducts. Rectangular and circular ducts with both uniform and non-uniform flow are considered as are ducts with peripherally varying liners. A historical perspective is provided by a discussion of the classical methods for computing attenuation when no mean flow is present. When flow is present these techniques become either impractical or impossible. A number of direct eigenvalue determination schemes which have been used when flow is present are discussed. Methods described are extensions of the classical no-flow technique, perturbation methods based on the no-flow technique, direct integration methods for solution of the eigenvalue equation, an integration-iteration method based on the governing differential equation for acoustic transmission, Galerkin methods, finite difference methods, and finite element methods.

A survey of methods of feasible directions for the solution of optimal control problems

NASA Technical Reports Server (NTRS)

Polak, E.

1972-01-01

Three methods of feasible directions for optimal control are reviewed. These methods are an extension of the Frank-Wolfe method, a dual method devised by Pironneau and Polack, and a Zontendijk method. The categories of continuous optimal control problems are shown as: (1) fixed time problems with fixed initial state, free terminal state, and simple constraints on the control; (2) fixed time problems with inequality constraints on both the initial and the terminal state and no control constraints; (3) free time problems with inequality constraints on the initial and terminal states and simple constraints on the control; and (4) fixed time problems with inequality state space contraints and constraints on the control. The nonlinear programming algorithms are derived for each of the methods in its associated category.

Method of making monodisperse nanoparticles

DOEpatents

Fan, Hongyon; Sun, Zaicheng

2012-10-16

A method of making particles of either spherical or cylindrical geometry with a characteristic diameter less than 50 nanometers by mixing at least one structure directing agent dissolved in a solvent with at least one amphiphilic block copolymer dissolved in a solvent to make a solution containing particles, where the particles can be subsequently separated and dispersed in a solvent of choice.

IMPINGER SOLUTIONS FOR THE EFFICIENT CAPTURE OF GASEOUS MERCURY SPECIES USING DIRECT INJECTION NEBULIZATION INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRY (DIN-ICP/MS) ANALYSIS

EPA Science Inventory

Currently there are no EPA reference sampling mehtods that have been promulgated for measuring Hg from coal combustion sources. EPA Method 29 is most commonly applied. The ASTM Ontario Hydro Draft Method for measuring oxidized, elemental, particulate-bound and total Hg is now und...

A New Factorisation of a General Second Order Differential Equation

ERIC Educational Resources Information Center

Clegg, Janet

2006-01-01

A factorisation of a general second order ordinary differential equation is introduced from which the full solution to the equation can be obtained by performing two integrations. The method is compared with traditional methods for solving these type of equations. It is shown how the Green's function can be derived directly from the factorisation…

Developing a Theory of Digitally-Enabled Trial-Based Problem Solving through Simulation Methods: The Case of Direct-Response Marketing

ERIC Educational Resources Information Center

Clark, Joseph Warren

2012-01-01

In turbulent business environments, change is rapid, continuous, and unpredictable. Turbulence undermines those adaptive problem solving methods that generate solutions by extrapolating from what worked (or did not work) in the past. To cope with this challenge, organizations utilize trial-based problem solving (TBPS) approaches in which they…

Dual-Code Solution Strategy for Chemically-Reacting Hypersonic Flows

NASA Technical Reports Server (NTRS)

Wood, William A.; Eberhardt, Scott

1995-01-01

A new procedure seeks to combine the thin-layer Navier-Stokes solver LAURA with the parabolized Navier-Stokes solver UPS for the aerothermodynamic solution of chemically-reacting air flow fields. The interface protocol is presented and the method is applied to two slender, blunted shapes. Both axisymmetric and three-dimensional solutions are included with surface pressure and heat transfer comparisons between the present method and previously published results. The case of Mach 25 flow over an axisymmetric six degree sphere-cone with a non-catalytic wall is considered to 100 nose radii. A stability bound on the marching step size was observed with this case and is attributed to chemistry effects resulting from the non-catalytic wall boundary condition. A second case with Mach 28 flow over a sphere-cone-cylinder-flare configuration is computed at both two and five degree angles of attack with a fully-catalytic wall. Surface pressures are seen to be within five percent with the present method compared to the baseline LAURA solution and heat transfers are within 10 percent. The effect of grid resolution is investigated in both the radial and streamwise directions. The procedure demonstrates significant, order of magnitude reductions in solution time and required memory for the three-dimensional case in comparison to an all thin-layer Navier-Stokes solution.

Space-Age Plant Culture

ERIC Educational Resources Information Center

McCormack, Alan J.

1973-01-01

Describes the commercial applications of hydroponics, and then outlines ways in which this soilless plant culture method can be used in the science classroom and laboratory. Gives directions for making a suitable growth solution, and suggests appropriate student experiments involving hydroponics. (JR)

A New Look at an Old Work Problem

ERIC Educational Resources Information Center

Waits, Bert K.; Silver, Jerry L.

1973-01-01

Two approaches are discussed for calculating the work necessary to pump water from a conical or parabolic container. The direct method derived from the definition of work is easy to misuse, as illustrated by a student's incorrect solution. (JP)

3PE: A Tool for Estimating Groundwater Flow Vectors

EPA Science Inventory

Evaluation of hydraulic gradients and the associated groundwater flow rates and directions is a fundamental aspect of hydrogeologic characterization. Many methods, ranging in complexity from simple three-point solution techniques to complex numerical models of groundwater flow, ...

Preparation of fullerene/glass composites

DOEpatents

Mattes, Benjamin R.; McBranch, Duncan W.; Robinson, Jeanne M.; Koskelo, Aaron C.; Love, Steven P.

1995-01-01

Synthesis of fullerene/glass composites. A direct method for preparing solid solutions of C.sub.60 in silicon dioxide (SiO.sub.2) glass matrices by means of sol-gel chemistry is described. In order to produce highly concentrated fullerene-sol-gel-composites it is necessary to increase the solubility of these "guests" in a delivery solvent which is compatible with the starter sol (receiving solvent). Sonication results in aggregate disruption by treatment with high frequency sound waves, thereby accelerating the rate of hydrolysis of the alkoxide precursor, and the solution process for the C.sub.60. Depending upon the preparative procedure, C.sub.60 dispersed within the glass matrix as microcrystalline domains, or dispersed as true molecular solutions of C.sub.60 in a solid glass matrix, is generated by the present method.

Preparation of fullerene/glass composites

DOEpatents

Mattes, B.R.; McBranch, D.W.; Robinson, J.M.; Koskelo, A.C.; Love, S.P.

1995-05-30

Synthesis of fullerene/glass composites is described. A direct method for preparing solid solutions of C{sub 60} in silicon dioxide (SiO{sub 2}) glass matrices by means of sol-gel chemistry is described. In order to produce highly concentrated fullerene-sol-gel-composites it is necessary to increase the solubility of these ``guests`` in a delivery solvent which is compatible with the starter sol (receiving solvent). Sonication results in aggregate disruption by treatment with high frequency sound waves, thereby accelerating the rate of hydrolysis of the alkoxide precursor, and the solution process for the C{sub 60}. Depending upon the preparative procedure, C{sub 60} dispersed within the glass matrix as microcrystalline domains, or dispersed as true molecular solutions of C{sub 60} in a solid glass matrix, is generated by the present method.

Development of low-frequency kernel-function aerodynamics for comparison with time-dependent finite-difference methods

NASA Technical Reports Server (NTRS)

Bland, S. R.

1982-01-01

Finite difference methods for unsteady transonic flow frequency use simplified equations in which certain of the time dependent terms are omitted from the governing equations. Kernel functions are derived for two dimensional subsonic flow, and provide accurate solutions of the linearized potential equation with the same time dependent terms omitted. These solutions make possible a direct evaluation of the finite difference codes for the linear problem. Calculations with two of these low frequency kernel functions verify the accuracy of the LTRAN2 and HYTRAN2 finite difference codes. Comparisons of the low frequency kernel function results with the Possio kernel function solution of the complete linear equations indicate the adequacy of the HYTRAN approximation for frequencies in the range of interest for flutter calculations.

Combined electrophoretic-separation and electrospray method and system

DOEpatents

Smith, Richard D.; Olivares, Jose A.

1989-01-01

A system and method for analyzing molecular constituents of a composition sample includes: forming a solution of the sample, separating the solution by capillary zone electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5-100 KVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g., .+-.2-8 KVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit.

Directed aggregation of carbon nanotube on curved surfaces by polymer induced depletion attraction

NASA Astrophysics Data System (ADS)

Lee, Hsin-Chieh; Jiang, Hong-Ren

2017-12-01

In this study, we show that by chemically grafting macromolecule, polyethylene glycol (PEG), onto CNTs, PEG-CNTs become dispersible in an aqueous solution with tunable depletion interactions with each other. The aggregation of the PEG-CNTs can be controlled by adding PEG polymers into the solution. PEG-CNTs not only aggregate with each other but also tend to aggregate on curved surfaces. Due to this property, we show that PEG-CNTs can be directed to aggregate on particles and patterned surfaces. Depletion interaction induced aggregation of PEG-CNTs may provide a method to place PEG-CNTs on a specific position for different applications ranging from biomedical to industrial usages.

Convective and morphological instabilities during crystal growth: Effect of gravity modulation

NASA Technical Reports Server (NTRS)

Coreill, S. R.; Murray, B. T.; Mcfadden, G. B.; Wheeler, A. A.; Saunders, B. V.

1992-01-01

During directional solidification of a binary alloy at constant velocity in the vertical direction, morphological and convective instabilities may occur due to the temperature and solute gradients associated with the solidification process. The effect of time-periodic modulation (vibration) is studied by considering a vertical gravitational acceleration which is sinusoidal in time. The conditions for the onset of solutal convection are calculated numerically, employing two distinct computational procedures based on Floquet theory. In general, a stable state can be destabilized by modulation and an unstable state can be stabilized. In the limit of high frequency modulation, the method of averaging and multiple-scale asymptotic analysis can be used to simplify the calculations.

Information entropy to measure the spatial and temporal complexity of solute transport in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Li, Weiyao; Huang, Guanhua; Xiong, Yunwu

2016-04-01

The complexity of the spatial structure of porous media, randomness of groundwater recharge and discharge (rainfall, runoff, etc.) has led to groundwater movement complexity, physical and chemical interaction between groundwater and porous media cause solute transport in the medium more complicated. An appropriate method to describe the complexity of features is essential when study on solute transport and conversion in porous media. Information entropy could measure uncertainty and disorder, therefore we attempted to investigate complexity, explore the contact between the information entropy and complexity of solute transport in heterogeneous porous media using information entropy theory. Based on Markov theory, two-dimensional stochastic field of hydraulic conductivity (K) was generated by transition probability. Flow and solute transport model were established under four conditions (instantaneous point source, continuous point source, instantaneous line source and continuous line source). The spatial and temporal complexity of solute transport process was characterized and evaluated using spatial moment and information entropy. Results indicated that the entropy increased as the increase of complexity of solute transport process. For the point source, the one-dimensional entropy of solute concentration increased at first and then decreased along X and Y directions. As time increased, entropy peak value basically unchanged, peak position migrated along the flow direction (X direction) and approximately coincided with the centroid position. With the increase of time, spatial variability and complexity of solute concentration increase, which result in the increases of the second-order spatial moment and the two-dimensional entropy. Information entropy of line source was higher than point source. Solute entropy obtained from continuous input was higher than instantaneous input. Due to the increase of average length of lithoface, media continuity increased, flow and solute transport complexity weakened, and the corresponding information entropy also decreased. Longitudinal macro dispersivity declined slightly at early time then rose. Solute spatial and temporal distribution had significant impacts on the information entropy. Information entropy could reflect the change of solute distribution. Information entropy appears a tool to characterize the spatial and temporal complexity of solute migration and provides a reference for future research.

Remote monitoring of environmental particulate pollution - A problem in inversion of first-kind integral equations

NASA Technical Reports Server (NTRS)

Fymat, A. L.

1975-01-01

The determination of the microstructure, chemical nature, and dynamical evolution of scattering particulates in the atmosphere is considered. A description is given of indirect sampling techniques which can circumvent most of the difficulties associated with direct sampling techniques, taking into account methods based on scattering, extinction, and diffraction of an incident light beam. Approaches for reconstructing the particulate size distribution from the direct and the scattered radiation are discussed. A new method is proposed for determining the chemical composition of the particulates and attention is given to the relevance of methods of solution involving first kind Fredholm integral equations.

Direct Maximization of Protein Identifications from Tandem Mass Spectra*

PubMed Central

Spivak, Marina; Weston, Jason; Tomazela, Daniela; MacCoss, Michael J.; Noble, William Stafford

2012-01-01

The goal of many shotgun proteomics experiments is to determine the protein complement of a complex biological mixture. For many mixtures, most methodological approaches fall significantly short of this goal. Existing solutions to this problem typically subdivide the task into two stages: first identifying a collection of peptides with a low false discovery rate and then inferring from the peptides a corresponding set of proteins. In contrast, we formulate the protein identification problem as a single optimization problem, which we solve using machine learning methods. This approach is motivated by the observation that the peptide and protein level tasks are cooperative, and the solution to each can be improved by using information about the solution to the other. The resulting algorithm directly controls the relevant error rate, can incorporate a wide variety of evidence and, for complex samples, provides 18–34% more protein identifications than the current state of the art approaches. PMID:22052992

Results from the direct combination of satellite and gravimetric data. [orbit analysis and gravity anomalies

NASA Technical Reports Server (NTRS)

Rapp, R. H.

1974-01-01

Results have been obtained for the solution of 184 15-deg equal-area blocks directly from the analysis of satellite orbits, and from a combination of the satellite results with terrestrial gravity material. This test computation, made to verify the method, used 17,632 optical observations from ten satellites in 29 arcs averaging in length seven days. Analysis of the satellite results were made by comparing the solved for anomalies with the terrestrial anomaly set, and by developing the solved for anomalies into potential coefficients which were compared to the GEM 3 set of potential coefficients to degree 12. These comparisons indicated improvement in each solution as more arcs were added. The programs used in this solution can easily be used to solve for smaller size blocks and handle additional data types. The only limitation will be computer core availability and computer time.

Transient Stability Output Margin Estimation Based on Energy Function Method

NASA Astrophysics Data System (ADS)

Miwa, Natsuki; Tanaka, Kazuyuki

In this paper, a new method of estimating critical generation margin (CGM) in power systems is proposed from the viewpoint of transient stability diagnostic. The proposed method has the capability to directly compute the stability limit output for a given contingency based on transient energy function method (TEF). Since CGM can be directly obtained by the limit output using estimated P-θ curves and is easy to understand, it is more useful rather than conventional critical clearing time (CCT) of energy function method. The proposed method can also estimate CGM as its negative value that means unstable in present load profile, then negative CGM can be directly utilized as generator output restriction. The proposed method is verified its accuracy and fast solution ability by applying to simple 3-machine model and IEEJ EAST10-machine standard model. Furthermore the useful application to severity ranking of transient stability for a lot of contingency cases is discussed by using CGM.

Optimum data weighting and error calibration for estimation of gravitational parameters

NASA Technical Reports Server (NTRS)

Lerch, F. J.

1989-01-01

A new technique was developed for the weighting of data from satellite tracking systems in order to obtain an optimum least squares solution and an error calibration for the solution parameters. Data sets from optical, electronic, and laser systems on 17 satellites in GEM-T1 (Goddard Earth Model, 36x36 spherical harmonic field) were employed toward application of this technique for gravity field parameters. Also, GEM-T2 (31 satellites) was recently computed as a direct application of the method and is summarized here. The method employs subset solutions of the data associated with the complete solution and uses an algorithm to adjust the data weights by requiring the differences of parameters between solutions to agree with their error estimates. With the adjusted weights the process provides for an automatic calibration of the error estimates for the solution parameters. The data weights derived are generally much smaller than corresponding weights obtained from nominal values of observation accuracy or residuals. Independent tests show significant improvement for solutions with optimal weighting as compared to the nominal weighting. The technique is general and may be applied to orbit parameters, station coordinates, or other parameters than the gravity model.

Direct-write maskless lithography using patterned oxidation of Si-substrate Induced by femtosecond laser pulses

NASA Astrophysics Data System (ADS)

Kiani, Amirkianoosh; Venkatakrishnan, Krishnan; Tan, Bo

2013-03-01

In this study we report a new method for direct-write maskless lithography using oxidized silicon layer induced by high repetition (MHz) ultrafast (femtosecond) laser pulses under ambient condition. The induced thin layer of predetermined pattern can act as an etch stop during etching process in alkaline etchants such as KOH. The proposed method can be leading to promising solutions for direct-write maskless lithography technique since the proposed method offers a higher degree of flexibility and reduced time and cost of fabrication which makes it particularly appropriate for rapid prototyping and custom scale manufacturing. A Scanning Electron Microscope (SEM), Micro-Raman, Energy Dispersive X-ray (EDX), optical microscope and X-ray diffraction spectroscopy (XRD) were used to evaluate the quality of oxidized layer induced by laser pulses.

Hyperbolic Prismatic Grid Generation and Solution of Euler Equations on Prismatic Grids

NASA Technical Reports Server (NTRS)

Pandya, S. A.; Chattot, JJ; Hafez, M. M.; Kutler, Paul (Technical Monitor)

1994-01-01

A hyperbolic grid generation method is used to generate prismatic grids and an approach using prismatic grids to solve the Euler equations is presented. The theory of the stability and feasibility of the hyperbolic grid generation method is presented. The hyperbolic grid generation method of Steger et al for structured grids is applied to a three dimensional triangularized surface definition to generate a grid that is unstructured on each successive layer. The grid, however, retains structure in the body-normal direction and has a computational cell shaped like a triangular prism. In order to take advantage of the structure in the normal direction, a finite-volume scheme that treats the unknowns along the normal direction implicitly is introduced and the flow over a sphere is simulated.

System Simulation by Recursive Feedback: Coupling A Set of Stand-Alone Subsystem Simulations

NASA Technical Reports Server (NTRS)

Nixon, Douglas D.; Hanson, John M. (Technical Monitor)

2002-01-01

Recursive feedback is defined and discussed as a framework for development of specific algorithms and procedures that propagate the time-domain solution for a dynamical system simulation consisting of multiple numerically coupled self-contained stand-alone subsystem simulations. A satellite motion example containing three subsystems (other dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Centralized and distributed versions of coupling structure have been addressed. Numerical results are evaluated by direct comparison with a standard total-system simultaneous-solution approach.

A general algorithm using finite element method for aerodynamic configurations at low speeds

NASA Technical Reports Server (NTRS)

Balasubramanian, R.

1975-01-01

A finite element algorithm for numerical simulation of two-dimensional, incompressible, viscous flows was developed. The Navier-Stokes equations are suitably modelled to facilitate direct solution for the essential flow parameters. A leap-frog time differencing and Galerkin minimization of these model equations yields the finite element algorithm. The finite elements are triangular with bicubic shape functions approximating the solution space. The finite element matrices are unsymmetrically banded to facilitate savings in storage. An unsymmetric L-U decomposition is performed on the finite element matrices to obtain the solution for the boundary value problem.

Simplified Production of Organic Compounds Containing High Enantiomer Excesses

NASA Technical Reports Server (NTRS)

Cooper, George W. (Inventor)

2015-01-01

The present invention is directed to a method for making an enantiomeric organic compound having a high amount of enantiomer excesses including the steps of a) providing an aqueous solution including an initial reactant and a catalyst; and b) subjecting said aqueous solution simultaneously to a magnetic field and photolysis radiation such that said photolysis radiation produces light rays that run substantially parallel or anti-parallel to the magnetic field passing through said aqueous solution, wherein said catalyst reacts with said initial reactant to form the enantiomeric organic compound having a high amount of enantiomer excesses.

Analytic solution of the Spencer-Lewis angular-spatial moments equations

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

Filippone, W.L.

A closed-form solution for the angular-spatial moments of the Spencer-Lewis equation is presented that is valid for infinite homogeneous media. From the moments, the electron density distribution as a function of position and path length (energy) is reconstructed for several sample problems involving plane isotropic sources of electrons in aluminium. The results are in excellent agreement with those determined numerically using the streaming ray method. The primary use of the closed form solution will most likely be to generate accurate electron transport benchmark solutions. In principle, the electron density as a function of space, path length, and direction can bemore » determined for planar sources of arbitrary angular distribution.« less

Application of viscous-inviscid interaction methods to transonic turbulent flows

NASA Technical Reports Server (NTRS)

Lee, D.; Pletcher, R. H.

1986-01-01

Two different viscous-inviscid interaction schemes were developed for the analysis of steady, turbulent, transonic, separated flows over axisymmetric bodies. The viscous and inviscid solutions are coupled through the displacement concept using a transpiration velocity approach. In the semi-inverse interaction scheme, the viscous and inviscid equations are solved in an explicitly separate manner and the displacement thickness distribution is iteratively updated by a simple coupling algorithm. In the simultaneous interaction method, local solutions of viscous and inviscid equations are treated simultaneously, and the displacement thickness is treated as an unknown and is obtained as a part of the solution through a global iteration procedure. The inviscid flow region is described by a direct finite-difference solution of a velocity potential equation in conservative form. The potential equation is solved on a numerically generated mesh by an approximate factorization (AF2) scheme in the semi-inverse interaction method and by a successive line overrelaxation (SLOR) scheme in the simultaneous interaction method. The boundary-layer equations are used for the viscous flow region. The continuity and momentum equations are solved inversely in a coupled manner using a fully implicit finite-difference scheme.

Plume flowfield analysis of the shuttle primary Reaction Control System (RCS) rocket engine

NASA Technical Reports Server (NTRS)

Hueser, J. E.; Brock, F. J.

1990-01-01

A solution was generated for the physical properties of the Shuttle RCS 4000 N (900 lb) rocket engine exhaust plume flowfield. The modeled exhaust gas consists of the five most abundant molecular species, H2, N2, H2O, CO, and CO2. The solution is for a bare RCS engine firing into a vacuum; the only additional hardware surface in the flowfield is a cylinder (=engine mount) which coincides with the nozzle lip outer corner at X = 0, extends to the flowfield outer boundary at X = -137 m and is coaxial with the negative symmetry axis. Continuum gas dynamic methods and the Direct Simulation Monte Carlo (DSMC) method were combined in an iterative procedure to produce a selfconsistent solution. Continuum methods were used in the RCS nozzle and in the plume as far as the P = 0.03 breakdown contour; the DSMC method was used downstream of this continuum flow boundary. The DSMC flowfield extends beyond 100 m from the nozzle exit and thus the solution includes the farfield flow properties, but substantial information is developed on lip flow dynamics and thus results are also presented for the flow properties in the vicinity of the nozzle lip.

Solution of Inverse Kinematics for 6R Robot Manipulators With Offset Wrist Based on Geometric Algebra.

PubMed

Fu, Zhongtao; Yang, Wenyu; Yang, Zhen

2013-08-01

In this paper, we present an efficient method based on geometric algebra for computing the solutions to the inverse kinematics problem (IKP) of the 6R robot manipulators with offset wrist. Due to the fact that there exist some difficulties to solve the inverse kinematics problem when the kinematics equations are complex, highly nonlinear, coupled and multiple solutions in terms of these robot manipulators stated mathematically, we apply the theory of Geometric Algebra to the kinematic modeling of 6R robot manipulators simply and generate closed-form kinematics equations, reformulate the problem as a generalized eigenvalue problem with symbolic elimination technique, and then yield 16 solutions. Finally, a spray painting robot, which conforms to the type of robot manipulators, is used as an example of implementation for the effectiveness and real-time of this method. The experimental results show that this method has a large advantage over the classical methods on geometric intuition, computation and real-time, and can be directly extended to all serial robot manipulators and completely automatized, which provides a new tool on the analysis and application of general robot manipulators.

Direct design of aspherical lenses for extended non-Lambertian sources in three-dimensional rotational geometry

PubMed Central

Wu, Rengmao; Hua, Hong

2016-01-01

Illumination design used to redistribute the spatial energy distribution of light source is a key technique in lighting applications. However, there is still no effective illumination design method for extended sources, especially for extended non-Lambertian sources. What we present here is to our knowledge the first direct method for extended non-Lambertian sources in three-dimensional (3D) rotational geometry. In this method, both meridional rays and skew rays of the extended source are taken into account to tailor the lens profile in the meridional plane. A set of edge rays and interior rays emitted from the extended source which will take a given direction after the refraction of the aspherical lens are found by the Snell’s law, and the output intensity at this direction is then calculated to be the integral of the luminance function of the outgoing rays at this direction. This direct method is effective for both extended non-Lambertian sources and extended Lambertian sources in 3D rotational symmetry, and can directly find a solution to the prescribed design problem without cumbersome iterative illuminance compensation. Two examples are presented to demonstrate the effectiveness of the proposed method in terms of performance and capacity for tackling complex designs. PMID:26832484

CSR Fields: Direct Numerical Solution of the Maxwell___s Equation

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

Novokhatski, A.; /SLAC

2011-06-22

We discuss the properties of the coherent electromagnetic fields of a very short, ultra-relativistic bunch in a rectangular vacuum chamber inside a bending magnet. The analysis is based on the results of a direct numerical solution of Maxwell's equations together with Newton's equations. We use a new dispersion-free time-domain algorithm which employs a more efficient use of finite element mesh techniques and hence produces self-consistent and stable solutions for very short bunches. We investigate the fine structure of the CSR fields including coherent edge radiation. This approach should be useful in the study of existing and future concepts of particlemore » accelerators and ultrafast coherent light sources. The coherent synchrotron radiation (CSR) fields have a strong action on the beam dynamics of very short bunches, which are moving in the bends of all kinds of magnetic elements. They are responsible for additional energy loss and energy spread; micro bunching and beam emittance growth. These fields may bound the efficiency of damping rings, electron-positron colliders and ultrafast coherent light sources, where high peak currents and very short bunches are envisioned. This is relevant to most high-brightness beam applications. On the other hand these fields together with transition radiation fields can be used for beam diagnostics or even as a powerful resource of THz radiation. A history of the study of CSR and a good collection of references can be found in [1]. Electromagnetic theory suggests several methods on how to calculate CSR fields. The most popular method is to use Lienard-Wiechert potentials. Other approach is to solve numerically the approximate equations, which are a Schrodinger type equation. These numerical methods are described in [2]. We suggest that a direct solution of Maxwell's equations together with Newton's equations can describe the detailed structure of the CSR fields [3].« less

Electrical characterization of non‐Fickian transport in groundwater and hyporheic systems

USGS Publications Warehouse

Singha, Kamini; Pidlisecky, Adam; Day-Lewis, Frederick D.; Gooseff, Michael N.

2008-01-01

Recent work indicates that processes controlling solute mass transfer between mobile and less mobile domains in porous media may be quantified by combining electrical geophysical methods and electrically conductive tracers. Whereas direct geochemical measurements of solute preferentially sample the mobile domain, electrical geophysical methods are sensitive to changes in bulk electrical conductivity (bulk EC) and therefore sample EC in both the mobile and immobile domains. Consequently, the conductivity difference between direct geochemical samples and remotely sensed electrical geophysical measurements may provide an indication of mass transfer rates and mobile and immobile porosities in situ. Here we present (1) an overview of a theoretical framework for determining parameters controlling mass transfer with electrical resistivity in situ; (2) a review of a case study estimating mass transfer processes in a pilot‐scale aquifer storage recovery test; and (3) an example application of this method for estimating mass transfer in watershed settings between streams and the hyporheic corridor. We demonstrate that numerical simulations of electrical resistivity studies of the stream/hyporheic boundary can help constrain volumes and rates of mobile‐immobile mass transfer. We conclude with directions for future research applying electrical geophysics to understand field‐scale transport in aquifer and fluvial systems subject to rate‐limited mass transfer.

Optimal control of a variable spin speed CMG system for space vehicles. [Control Moment Gyros

NASA Technical Reports Server (NTRS)

Liu, T. C.; Chubb, W. B.; Seltzer, S. M.; Thompson, Z.

1973-01-01

Many future NASA programs require very high accurate pointing stability. These pointing requirements are well beyond anything attempted to date. This paper suggests a control system which has the capability of meeting these requirements. An optimal control law for the suggested system is specified. However, since no direct method of solution is known for this complicated system, a computation technique using successive approximations is used to develop the required solution. The method of calculus of variations is applied for estimating the changes of index of performance as well as those constraints of inequality of state variables and terminal conditions. Thus, an algorithm is obtained by the steepest descent method and/or conjugate gradient method. Numerical examples are given to show the optimal controls.

A nearly-linear computational-cost scheme for the forward dynamics of an N-body pendulum

NASA Technical Reports Server (NTRS)

Chou, Jack C. K.

1989-01-01

The dynamic equations of motion of an n-body pendulum with spherical joints are derived to be a mixed system of differential and algebraic equations (DAE's). The DAE's are kept in implicit form to save arithmetic and preserve the sparsity of the system and are solved by the robust implicit integration method. At each solution point, the predicted solution is corrected to its exact solution within given tolerance using Newton's iterative method. For each iteration, a linear system of the form J delta X = E has to be solved. The computational cost for solving this linear system directly by LU factorization is O(n exp 3), and it can be reduced significantly by exploring the structure of J. It is shown that by recognizing the recursive patterns and exploiting the sparsity of the system the multiplicative and additive computational costs for solving J delta X = E are O(n) and O(n exp 2), respectively. The formulation and solution method for an n-body pendulum is presented. The computational cost is shown to be nearly linearly proportional to the number of bodies.

Simple 1H NMR spectroscopic method for assay of salts of the contrast agent diatrizoate in commercial solutions.

PubMed

Hanna, G M; Lau-Cam, C A

1996-01-01

A simple, accurate, and specific 1H NMR spectroscopic method was developed for the assay of diatrizoate meglumine or the combination diatrizoate meglumine and diatrizoate sodium in commercial solutions for injection. A mixture of injectable solution and sodium acetate, the internal standard, was diluted with D2O and the 1H NMR spectrum of the solution was obtained. Two approaches were used to calculate the drug content, based on the integral values for the -N-CO-CH3 protons of diatrizoic acid at 2.23 ppm, and -N-CH3 protons of meglumine at 2.73 ppm, and the CH3-CO-protons of sodium acetate at 1.9 ppm. Recoveries (mean +/- standard deviation) of diatrizoic acid and meglumine from 10 synthetic mixtures of various amounts of these compounds with a fixed amount of internal standard were 100.3 +/- 0.55% and 100.1 +/- 0.98%, respectively. In addition to providing a direct means of simultaneously assaying diatrizoic acid and meglumine, the proposed NMR method can also be used to identify diatrizoate meglumine and each of its molecular components.

Near-field noise of a single-rotation propfan at an angle of attack

NASA Technical Reports Server (NTRS)

Nallasamy, M.; Envia, E.; Clark, B. J.; Groeneweg, J. F.

1990-01-01

The near field noise characteristics of a propfan operating at an angle of attack are examined utilizing the unsteady pressure field obtained from a 3-D Euler simulation of the propfan flowfield. The near field noise is calculated employing three different procedures: a direct computation method in which the noise field is extracted directly from the Euler solution, and two acoustic-analogy-based frequency domain methods which utilize the computed unsteady pressure distribution on the propfan blades as the source term. The inflow angles considered are -0.4, 1.6, and 4.6 degrees. The results of the direct computation method and one of the frequency domain methods show qualitative agreement with measurements. They show that an increase in the inflow angle is accompanied by an increase in the sound pressure level at the outboard wing boom locations and a decrease in the sound pressure level at the (inboard) fuselage locations. The trends in the computed azimuthal directivities of the noise field also conform to the measured and expected results.

Direct Identification and Antimicrobial Susceptibility Testing of Bacteria From Positive Blood Culture Bottles by Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry and the Vitek 2 System

PubMed Central

Jo, Sung Jin; Park, Kang Gyun; Han, Kyungja; Park, Dong Jin

2016-01-01

Background We evaluated the reliability and accuracy of the combined use of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) bacterial identification and Vitek 2 antimicrobial susceptibility testing (AST) for bacteria from positive blood culture bottles. Methods Direct identification and AST were performed in parallel to the standard methods in monomicrobial positive blood culture bottles. In total, 254 isolates grown on aerobic and/or anaerobic bottles were identified with MALDI-TOF Vitek MS (bioMérieux, France), and 1,978 microorganism/antimicrobial agent combinations were assessed. For isolates from anaerobic bottles, an aliquot of the culture broth was centrifuged, washed, and filtered through a nylon mesh. For isolates from aerobic/pediatric bottles, a lysis step using 9.26% ammonium chloride solution and 2% saponin solution was included. Results The overall correct identification rate was 81.8% (208/254) and that for gram-positive/gram-negative isolates was 73.9%/92.6%, respectively, and it was 81.8%, 87.6%, and 57.9% for isolates from aerobic, anaerobic, and pediatric bottles, respectively. Identification was not possible in 45 cases, and most of these isolates were streptococci (N=14) and coagulase-negative staphylococci (N=11). Misidentification occurred only in one case. Compared with standard methods, direct AST showed 97.9% (1,936/1,978) agreement with very major error of 0.25%, major error of 0.05%, and minor error of 1.8%. Conclusions This simple and cost-effective sample preparation method gives reliable results for the direct identification and AST of bacteria. For the identification of streptococci and coagulase-negative staphylococci, the method should be further improved. PMID:26709258

Security and privacy in molecular communication and networking: opportunities and challenges.

PubMed

Loscrí, Valeria; Marchal, César; Mitton, Nathalie; Fortino, Giancarlo; Vasilakos, Athanasios V

2014-09-01

Molecular Communication (MC) is an emerging and promising communication paradigm for several multi-disciplinary domains like bio-medical, industry and military. Differently to the traditional communication paradigm, the information is encoded on the molecules, that are then used as carriers of information. Novel approaches related to this new communication paradigm have been proposed, mainly focusing on architectural aspects and categorization of potential applications. So far, security and privacy aspects related to the molecular communication systems have not been investigated at all and represent an open question that need to be addressed. The main motivation of this paper lies on providing some first insights about security and privacy aspects of MC systems, by highlighting the open issues and challenges and above all by outlining some specific directions of potential solutions. Existing cryptographic methods and security approaches are not suitable for MC systems since do not consider the pecific issues and challenges, that need ad-hoc solutions. We will discuss directions in terms of potential solutions by trying to highlight the main advantages and potential drawbacks for each direction considered. We will try to answer to the main questions: 1) why this solution can be exploited in the MC field to safeguard the system and its reliability? 2) which are the main issues related to the specific approach?

Forced in-plane vibration of a thick ring on a unilateral elastic foundation

NASA Astrophysics Data System (ADS)

Wang, Chunjian; Ayalew, Beshah; Rhyne, Timothy; Cron, Steve; Dailliez, Benoit

2016-10-01

Most existing studies of a deformable ring on elastic foundation rely on the assumption of a linear foundation. These assumptions are insufficient in cases where the foundation may have a unilateral stiffness that vanishes in compression or tension such as in non-pneumatic tires and bushing bearings. This paper analyzes the in-plane dynamics of such a thick ring on a unilateral elastic foundation, specifically, on a two-parameter unilateral elastic foundation, where the stiffness of the foundation is treated as linear in the circumferential direction but unilateral (i.e. collapsible or tensionless) in the radial direction. The thick ring is modeled as an orthotropic and extensible circular Timoshenko beam. An arbitrarily distributed time-varying in-plane force is considered as the excitation. The Equations of Motion are explicitly derived and a solution method is proposed that uses an implicit Newmark scheme for the time domain solution and an iterative compensation approach to determine the unilateral zone of the foundation at each time step. The dynamic axle force transmission is also analyzed. Illustrative forced vibration responses obtained from the proposed model and solution method are compared with those obtained from a finite element model.

The design and implementation of cost-effective algorithms for direct solution of banded linear systems on the vector processor system 32 supercomputer

NASA Technical Reports Server (NTRS)

Samba, A. S.

1985-01-01

The problem of solving banded linear systems by direct (non-iterative) techniques on the Vector Processor System (VPS) 32 supercomputer is considered. Two efficient direct methods for solving banded linear systems on the VPS 32 are described. The vector cyclic reduction (VCR) algorithm is discussed in detail. The performance of the VCR on a three parameter model problem is also illustrated. The VCR is an adaptation of the conventional point cyclic reduction algorithm. The second direct method is the Customized Reduction of Augmented Triangles' (CRAT). CRAT has the dominant characteristics of an efficient VPS 32 algorithm. CRAT is tailored to the pipeline architecture of the VPS 32 and as a consequence the algorithm is implicitly vectorizable.

Angles-Only Navigation: Position and Velocity Solution from Absolute Triangulation

DTIC Science & Technology

2011-01-01

geocentric position vectors. Using two vectors derived from each such observation (see next section), a solution for a portion of the boat’s track was...t)x0 describes the curvature of the path in the direction x 0, which, for a geocentric coordinate system and /(t) < 0, will be toward the center of...finite distances, with geocentric coordinates known to a meter or better (readily available on the Internet) a straightfor- ward triangulation method

Directed spatial organization of zinc oxide nanostructures

DOEpatents

Hsu, Julia [Albuquerque, NM; Liu, Jun [Richland, WA

2009-02-17

A method for controllably forming zinc oxide nanostructures on a surface via an organic template, which is formed using a stamp prepared from pre-defined relief structures, inking the stamp with a solution comprising self-assembled monolayer (SAM) molecules, contacting the stamp to the surface, such as Ag sputtered on Si, and immersing the surface with the patterned SAM molecules with a zinc-containing solution with pH control to form zinc oxide nanostructures on the bare Ag surface.

Total Variation with Overlapping Group Sparsity for Image Deblurring under Impulse Noise

PubMed Central

Liu, Gang; Huang, Ting-Zhu; Liu, Jun; Lv, Xiao-Guang

2015-01-01

The total variation (TV) regularization method is an effective method for image deblurring in preserving edges. However, the TV based solutions usually have some staircase effects. In order to alleviate the staircase effects, we propose a new model for restoring blurred images under impulse noise. The model consists of an ℓ1-fidelity term and a TV with overlapping group sparsity (OGS) regularization term. Moreover, we impose a box constraint to the proposed model for getting more accurate solutions. The solving algorithm for our model is under the framework of the alternating direction method of multipliers (ADMM). We use an inner loop which is nested inside the majorization minimization (MM) iteration for the subproblem of the proposed method. Compared with other TV-based methods, numerical results illustrate that the proposed method can significantly improve the restoration quality, both in terms of peak signal-to-noise ratio (PSNR) and relative error (ReE). PMID:25874860

Hpm of Estrogen Model on the Dynamics of Breast Cancer

NASA Astrophysics Data System (ADS)

Govindarajan, A.; Balamuralitharan, S.; Sundaresan, T.

2018-04-01

We enhance a deterministic mathematical model involving universal dynamics on breast cancer with immune response. This is population model so includes Normal cells class, Tumor cells, Immune cells and Estrogen. The eects regarding Estrogen are below incorporated in the model. The effects show to that amount the arrival of greater Estrogen increases the danger over growing breast cancer. Furthermore, approximate solution regarding nonlinear differential equations is arrived by Homotopy Perturbation Method (HPM). Hes HPM is good and correct technique after solve nonlinear differential equation directly. Approximate solution learnt with the support of that method is suitable same as like the actual results in accordance with this models.

Determination of copper in tap water using solid-phase spectrophotometry

NASA Technical Reports Server (NTRS)

Hill, Carol M.; Street, Kenneth W.; Philipp, Warren H.; Tanner, Stephen P.

1994-01-01

A new application of ion exchange films is presented. The films are used in a simple analytical method of directly determining low concentrations of Cu(2+) in aqueous solutions, in particular, drinking water. The basis for this new test method is the color and absorption intensity of the ion when adsorbed onto the film. The film takes on the characteristic color of the adsorbed cation, which is concentrated on the film by many orders of magnitude. The linear relationship between absorbance (corrected for variations in film thickness) and solution concentration makes the determinations possible. These determinations agree well with flame atomic absorption determinations.

3D CAFE modeling of grain structures: application to primary dendritic and secondary eutectic solidification

NASA Astrophysics Data System (ADS)

Carozzani, T.; Digonnet, H.; Gandin, Ch-A.

2012-01-01

A three-dimensional model is presented for the prediction of grain structures formed in casting. It is based on direct tracking of grain boundaries using a cellular automaton (CA) method. The model is fully coupled with a solution of the heat flow computed with a finite element (FE) method. Several unique capabilities are implemented including (i) the possibility to track the development of several types of grain structures, e.g. dendritic and eutectic grains, (ii) a coupling scheme that permits iterations between the FE method and the CA method, and (iii) tabulated enthalpy curves for the solid and liquid phases that offer the possibility to work with multicomponent alloys. The present CAFE model is also fully parallelized and runs on a cluster of computers. Demonstration is provided by direct comparison between simulated and recorded cooling curves for a directionally solidified aluminum-7 wt% silicon alloy.

The Direct Lighting Computation in Global Illumination Methods

NASA Astrophysics Data System (ADS)

Wang, Changyaw Allen

1994-01-01

Creating realistic images is a computationally expensive process, but it is very important for applications such as interior design, product design, education, virtual reality, and movie special effects. To generate realistic images, state-of-art rendering techniques are employed to simulate global illumination, which accounts for the interreflection of light among objects. In this document, we formalize the global illumination problem into a eight -dimensional integral and discuss various methods that can accelerate the process of approximating this integral. We focus on the direct lighting computation, which accounts for the light reaching the viewer from the emitting sources after exactly one reflection, Monte Carlo sampling methods, and light source simplification. Results include a new sample generation method, a framework for the prediction of the total number of samples used in a solution, and a generalized Monte Carlo approach for computing the direct lighting from an environment which for the first time makes ray tracing feasible for highly complex environments.

Water hammer prediction and control: the Green's function method

NASA Astrophysics Data System (ADS)

Xuan, Li-Jun; Mao, Feng; Wu, Jie-Zhi

2012-04-01

By Green's function method we show that the water hammer (WH) can be analytically predicted for both laminar and turbulent flows (for the latter, with an eddy viscosity depending solely on the space coordinates), and thus its hazardous effect can be rationally controlled and minimized. To this end, we generalize a laminar water hammer equation of Wang et al. (J. Hydrodynamics, B2, 51, 1995) to include arbitrary initial condition and variable viscosity, and obtain its solution by Green's function method. The predicted characteristic WH behaviors by the solutions are in excellent agreement with both direct numerical simulation of the original governing equations and, by adjusting the eddy viscosity coefficient, experimentally measured turbulent flow data. Optimal WH control principle is thereby constructed and demonstrated.

Procedure for Adapting Direct Simulation Monte Carlo Meshes

NASA Technical Reports Server (NTRS)

Woronowicz, Michael S.; Wilmoth, Richard G.; Carlson, Ann B.; Rault, Didier F. G.

1992-01-01

A technique is presented for adapting computational meshes used in the G2 version of the direct simulation Monte Carlo method. The physical ideas underlying the technique are discussed, and adaptation formulas are developed for use on solutions generated from an initial mesh. The effect of statistical scatter on adaptation is addressed, and results demonstrate the ability of this technique to achieve more accurate results without increasing necessary computational resources.

Impregnation of Scots pine and beech with tannin solutions: effect of viscosity and wood anatomy in wood infiltration.

PubMed

Tondi, G; Thevenon, M F; Mies, B; Standfest, G; Petutschnigg, A; Wieland, S

The impregnation process of Scots pine and beech samples with tannin solutions was investigated. The two materials involved in the process (impregnation solution and wood samples) are studied in depth. Viscosity of mimosa tannin solutions and the anatomical aspect of beech and Scots pine were analysed and correlated. The viscosity of tannin solutions presents a non-newtonian behaviour when its pH level increases, and in the case of addition of hexamine as a hardener, the crosslinking of the flavonoids turns out to be of great importance. During the impregnation of Scots pine ( Pinus sylvestris L.) and beech ( Fagus sylvatica L.), the liquid and solid uptakes were monitored while taking into consideration the different conditions of the impregnation process. This method allowed to identify the best conditions needed in order to get a successful preservative uptake for each wooden substrate. The penetration mechanism within the wood of both species was revealed with the aid of a microscopic analysis. Scots pine is impregnated through the tracheids in the longitudinal direction and through parenchyma rays in the radial direction, whereas in beech, the penetration occurs almost completely through longitudinal vessels.

Solution-processed air-stable mesoscopic selenium solar cells

DOE PAGES

Zhu, Menghua; Hao, Feng; Ma, Lin; ...

2016-07-28

Crystalline selenium (c-Se) is a direct band gap semiconductor and has been developed for detector applications for more than 30 years. While most advances have been made using vacuum deposition processes, it remains a challenge to prepare efficient c-Se devices directly from solution. We demonstrate a simple solution process leading to uniform and high-crystallinity selenium films under ambient conditions. A combination of ethylenediamine (EDA) and hydrazine solvents was found to be effective in dissolving selenium powder and forming highly concentrated solutions. These can be used to infiltrate a mesoporous titanium dioxide layer and form a smooth and pinhole-free capping overlayer.more » Efficient light-induced charge injection from the crystalline selenium to TiO 2 was observed using transient absorption spectroscopy. A small amount of EDA addition in the hydrazine solution was found to improve the film coverage significantly, and on the basis of the finding, we are able to achieve up to 3.52% power conversion efficiency solar cells with a fill factor of 57%. Lastly, these results provide a method to control the crystalline selenium film and represent significant progress in developing low-cost selenium-based solar cells.« less

Calculation of three-dimensional (3-D) internal flow by means of the velocity-vorticity formulation on a staggered grid

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1995-01-01

A method has been developed to accurately compute the viscous flow in three-dimensional (3-D) enclosures. This method is the 3-D extension of a two-dimensional (2-D) method developed for the calculation of flow over airfoils. The 2-D method has been tested extensively and has been shown to accurately reproduce experimental results. As in the 2-D method, the 3-D method provides for the non-iterative solution of the incompressible Navier-Stokes equations by means of a fully coupled implicit technique. The solution is calculated on a body fitted computational mesh incorporating a staggered grid methodology. In the staggered grid method, the three components of vorticity are defined at the centers of the computational cell sides, while the velocity components are defined as normal vectors at the centers of the computational cell faces. The staggered grid orientation provides for the accurate definition of the vorticity components at the vorticity locations, the divergence of vorticity at the mesh cell nodes and the conservation of mass at the mesh cell centers. The solution is obtained by utilizing a fractional step solution technique in the three coordinate directions. The boundary conditions for the vorticity and velocity are calculated implicitly as part of the solution. The method provides for the non-iterative solution of the flow field and satisfies the conservation of mass and divergence of vorticity to machine zero at each time step. To test the method, the calculation of simple driven cavity flows have been computed. The driven cavity flow is defined as the flow in an enclosure driven by a moving upper plate at the top of the enclosure. To demonstrate the ability of the method to predict the flow in arbitrary cavities, results will he shown for both cubic and curved cavities.

Single-walled carbon nanotubes/polymer composite electrodes patterned directly from solution.

PubMed

Chang, Jingbo; Najeeb, Choolakadavil Khalid; Lee, Jae-Hyeok; Kim, Jae-Ho

2011-06-07

This work describes a simple technique for direct patterning of single-walled carbon nanotube (SWNT)/poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT-PSS) composite electrodes in a large area on a substrate based on the solution transfer process by microcontact printing using poly(dimethylsiloxane) (PDMS) stamps. Various shapes of SWNT/PEDOT-PSS composite patterns, such as line, circle, and square, can be easily fabricated with high pattern fidelity and structural integrity. The single parallel line pattern device exhibits high electrical conductivity (0.75 × 10(5) S/m) and electronic stability because of alignment of nanotubes and big-size SWNT bundles (∼5 nm). The electromechanical study reveals that the composite patterns show ∼1% resistance change along SWNT alignment direction and ∼5% resistance change along vertical alignment direction after 200 bend cycles. Our approach provides a facile, low-cost method to pattern transparent conductive SWNT/polymer composite electrodes and demonstrates a novel platform for future integration of conducting SWNT/polymer composite patterns for optoelectronic applications.

Iterative discrete ordinates solution of the equation for surface-reflected radiance

NASA Astrophysics Data System (ADS)

Radkevich, Alexander

2017-11-01

This paper presents a new method of numerical solution of the integral equation for the radiance reflected from an anisotropic surface. The equation relates the radiance at the surface level with BRDF and solutions of the standard radiative transfer problems for a slab with no reflection on its surfaces. It is also shown that the kernel of the equation satisfies the condition of the existence of a unique solution and the convergence of the successive approximations to that solution. The developed method features two basic steps: discretization on a 2D quadrature, and solving the resulting system of algebraic equations with successive over-relaxation method based on the Gauss-Seidel iterative process. Presented numerical examples show good coincidence between the surface-reflected radiance obtained with DISORT and the proposed method. Analysis of contributions of the direct and diffuse (but not yet reflected) parts of the downward radiance to the total solution is performed. Together, they represent a very good initial guess for the iterative process. This fact ensures fast convergence. The numerical evidence is given that the fastest convergence occurs with the relaxation parameter of 1 (no relaxation). An integral equation for BRDF is derived as inversion of the original equation. The potential of this new equation for BRDF retrievals is analyzed. The approach is found not viable as the BRDF equation appears to be an ill-posed problem, and it requires knowledge the surface-reflected radiance on the entire domain of both Sun and viewing zenith angles.

Accurate chemical master equation solution using multi-finite buffers

DOE PAGES

Cao, Youfang; Terebus, Anna; Liang, Jie

2016-06-29

Here, the discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multiscale nature of many networks where reaction rates have a large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multifinite buffers for reducing the state spacemore » by $O(n!)$, exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be precomputed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multiscale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks.« less

Accurate chemical master equation solution using multi-finite buffers

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

Cao, Youfang; Terebus, Anna; Liang, Jie

Here, the discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multiscale nature of many networks where reaction rates have a large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multifinite buffers for reducing the state spacemore » by $O(n!)$, exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be precomputed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multiscale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks.« less

A multiphysics and multiscale model for low frequency electromagnetic direct-chill casting

NASA Astrophysics Data System (ADS)

Košnik, N.; Guštin, A. Z.; Mavrič, B.; Šarler, B.

2016-03-01

Simulation and control of macrosegregation, deformation and grain size in low frequency electromagnetic (EM) direct-chill casting (LFEMC) is important for downstream processing. Respectively, a multiphysics and multiscale model is developed for solution of Lorentz force, temperature, velocity, concentration, deformation and grain structure of LFEMC processed aluminum alloys, with focus on axisymmetric billets. The mixture equations with lever rule, linearized phase diagram, and stationary thermoelastic solid phase are assumed, together with EM induction equation for the field imposed by the coil. Explicit diffuse approximate meshless solution procedure [1] is used for solving the EM field, and the explicit local radial basis function collocation method [2] is used for solving the coupled transport phenomena and thermomechanics fields. Pressure-velocity coupling is performed by the fractional step method [3]. The point automata method with modified KGT model is used to estimate the grain structure [4] in a post-processing mode. Thermal, mechanical, EM and grain structure outcomes of the model are demonstrated. A systematic study of the complicated influences of the process parameters can be investigated by the model, including intensity and frequency of the electromagnetic field. The meshless solution framework, with the implemented simplest physical models, will be further extended by including more sophisticated microsegregation and grain structure models, as well as a more realistic solid and solid-liquid phase rheology.

Solution-processed polycrystalline silicon on paper

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

Trifunovic, M.; Ishihara, R., E-mail: r.ishihara@tudelft.nl; Shimoda, T.

Printing electronics has led to application areas which were formerly impossible with conventional electronic processes. Solutions are used as inks on top of large areas at room temperatures, allowing the production of fully flexible circuitry. Commonly, research in these inks have focused on organic and metal-oxide ink materials due to their printability, while these materials lack in the electronic performance when compared to silicon electronics. Silicon electronics, on the other hand, has only recently found their way in solution processes. Printing of cyclopentasilane as the silicon ink has been conducted and devices with far superior electric performance have been mademore » when compared to other ink materials. A thermal annealing step of this material, however, was necessary, which prevented its usage on inexpensive substrates with a limited thermal budget. In this work, we introduce a method that allows polycrystalline silicon (poly-Si) production directly from the same liquid silicon ink using excimer laser irradiation. In this way, poly-Si could be formed directly on top of paper even with a single laser pulse. Using this method, poly-Si transistors were created at a maximum temperature of only 150 °C. This method allows silicon device formation on inexpensive, temperature sensitive substrates such as polyethylene terephthalate, polyethylene naphthalate or paper, which leads to applications that require low-cost but high-speed electronics.« less

Ion Chromatography.

ERIC Educational Resources Information Center

Mulik, James D.; Sawicki, Eugene

1979-01-01

Accurate for the analysis of ions in solution, this form of analysis enables the analyst to directly assay many compounds that previously were difficult or impossible to analyze. The method is a combination of the methodologies of ion exchange, liquid chromatography, and conductimetric determination with eluant suppression. (Author/RE)

On Solving Linear Recurrences

ERIC Educational Resources Information Center

Dobbs, David E.

2013-01-01

A direct method is given for solving first-order linear recurrences with constant coefficients. The limiting value of that solution is studied as "n to infinity." This classroom note could serve as enrichment material for the typical introductory course on discrete mathematics that follows a calculus course.

Direct patterning of silver particles on porous silicon by inkjet printing of a silver salt via in-situ reduction

PubMed Central

2012-01-01

We have developed a method for obtaining a direct pattern of silver nanoparticles (NPs) on porous silicon (p-Si) by means of inkjet printing (IjP) of a silver salt. Silver NPs were obtained by p-Si mediated in-situ reduction of Ag+ cations using solutions based on AgNO3 which were directly printed on p-Si according to specific geometries and process parameters. The main difference with respect to existing literature is that normally, inkjet printing is applied to silver (metal) NP suspensions, while in our experiment the NPs are formed after jetting the solution on the reactive substrate. We performed both optical and scanning electron microscopes on the NPs traces, correlating the morphology features with the IjP parameters, giving an insight on the synthesis kinetics. The patterned NPs show good performances as SERS substrates. PMID:22953722

Simultaneous removal of NOx and SO2 from flue gas using combined Na2SO3 assisted electrochemical reduction and direct electrochemical reduction.

PubMed

Guo, Qingbin; He, Yi; Sun, Tonghua; Wang, Yalin; Jia, Jinping

2014-07-15

A method combining Na2SO3 assisted electrochemical reduction and direct electrochemical reduction using Fe(II)(EDTA) solution was proposed to simultaneously remove NOx and SO2 from flue gas. Activated carbon was used as catalyst to accelerate the process. This new system features (a) direct conversion of NOx and SO2 to harmless N2 and SO4(2-); (b) fast regeneration of Fe(II)(EDTA); (c) minimum use of chemical reagents; and (d) recovery of the reduction by-product (Na2SO4). Fe(II)(EDTA) solution was continuously recycled and reused during entire process, and no harmful waste was generated. Approximately 99% NOx and 98% SO2 were removed under the optimal condition. The stability test showed that the system operation was reliable. Copyright © 2014 Elsevier B.V. All rights reserved.

Method of forming grooves in the [011] crystalline direction

NASA Technical Reports Server (NTRS)

Marinelli, Donald Paul (Inventor)

1977-01-01

An A-B etchant is applied to a (100) surface of a body of semiconductor material, a portion of which along the (100) surface of the body is either gallium arsenide or gallium aluminum arsenide. The etchant is applied for at least 15 seconds at a temperature of approximately 80.degree. C. The A-B etchant is a solution by weight percent of 47.5%, water, 0.2% silver nitrate, 23.8% chromium trioxide and 28.5% of a 48% aqueous solution of hydrofluoric acid. As a result of the application of the A-B etchant a pattern of elongated etch pits form having their longitudinal axes along the [011] crystalline direction. Grooves are formed in the body at a surface opposite the (100) surface on which was applied the etchant. The grooves are formed along the [011] crystalline direction by aligning the longitudinal axes of the grooves with the longitudinal axes of the etch pits.

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.

Interactive Reference Point Procedure Based on the Conic Scalarizing Function

PubMed Central

2014-01-01

In multiobjective optimization methods, multiple conflicting objectives are typically converted into a single objective optimization problem with the help of scalarizing functions. The conic scalarizing function is a general characterization of Benson proper efficient solutions of non-convex multiobjective problems in terms of saddle points of scalar Lagrangian functions. This approach preserves convexity. The conic scalarizing function, as a part of a posteriori or a priori methods, has successfully been applied to several real-life problems. In this paper, we propose a conic scalarizing function based interactive reference point procedure where the decision maker actively takes part in the solution process and directs the search according to her or his preferences. An algorithmic framework for the interactive solution of multiple objective optimization problems is presented and is utilized for solving some illustrative examples. PMID:24723795

Combined electrophoretic-separation and electrospray method and system

DOEpatents

Smith, R.D.; Olivares, J.A.

1989-06-27

A system and method for analyzing molecular constituents of a composition sample includes: forming a solution of the sample, separating the solution by capillary zone electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5--100 kVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g., [+-]2--8 kVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit. 10 figs.

Passive non-linear microrheology for determining extensional viscosity

NASA Astrophysics Data System (ADS)

Hsiao, Kai-Wen; Dinic, Jelena; Ren, Yi; Sharma, Vivek; Schroeder, Charles M.

2017-12-01

Extensional viscosity is a key property of complex fluids that greatly influences the non-equilibrium behavior and processing of polymer solutions, melts, and colloidal suspensions. In this work, we use microfluidics to determine steady extensional viscosity for polymer solutions by directly observing particle migration in planar extensional flow. Tracer particles are suspended in semi-dilute solutions of DNA and polyethylene oxide, and a Stokes trap is used to confine single particles in extensional flows of polymer solutions in a cross-slot device. Particles are observed to migrate in the direction transverse to flow due to normal stresses, and particle migration is tracked and quantified using a piezo-nanopositioning stage during the microfluidic flow experiment. Particle migration trajectories are then analyzed using a second-order fluid model that accurately predicts that migration arises due to normal stress differences. Using this analytical framework, extensional viscosities can be determined from particle migration experiments, and the results are in reasonable agreement with bulk rheological measurements of extensional viscosity based on a dripping-onto-substrate method. Overall, this work demonstrates that non-equilibrium properties of complex fluids can be determined by passive yet non-linear microrheology.

Experimental study of directional solidification of aqueous ammonium chloride solution

NASA Technical Reports Server (NTRS)

Chen, C. F.; Chen, Falin

1991-01-01

Directional solidification experiments have been carried out using the analog casting system of NH4Cl-H2O solution by cooling it from below with a constant-temperature surface ranging from -31.5 C to +11.9 C. The NH4Cl concentration was 26 percent in all solutions, with a liquidus temperature of 15 C. It was found that finger convection occurred in the fluid region just above the mushy layer in all experiments. Plume convection with associated chimneys in the mush occurred in experiments with bottom temperatures as high as +11.0 C. However, when the bottom temperature was raised to +11.9 C, no plume convection was observed, although finger convection continued as usual. A method has been devised to determine the porosity of the mush by computed tomography. Using the mean value of the porosity across the mush layer and the permeability calculated by the Kozeny-Carman relationship, the critical solute Rayleigh number across the mush layer for onset of plume convection was estimated to be between 200 and 250.

An investigation of several numerical procedures for time-asymptotic compressible Navier-Stokes solutions

NASA Technical Reports Server (NTRS)

Rudy, D. H.; Morris, D. J.; Blanchard, D. K.; Cooke, C. H.; Rubin, S. G.

1975-01-01

The status of an investigation of four numerical techniques for the time-dependent compressible Navier-Stokes equations is presented. Results for free shear layer calculations in the Reynolds number range from 1000 to 81000 indicate that a sequential alternating-direction implicit (ADI) finite-difference procedure requires longer computing times to reach steady state than a low-storage hopscotch finite-difference procedure. A finite-element method with cubic approximating functions was found to require excessive computer storage and computation times. A fourth method, an alternating-direction cubic spline technique which is still being tested, is also described.

A constitutive material model for nonlinear finite element structural analysis using an iterative matrix approach

NASA Technical Reports Server (NTRS)

Koenig, Herbert A.; Chan, Kwai S.; Cassenti, Brice N.; Weber, Richard

1988-01-01

A unified numerical method for the integration of stiff time dependent constitutive equations is presented. The solution process is directly applied to a constitutive model proposed by Bodner. The theory confronts time dependent inelastic behavior coupled with both isotropic hardening and directional hardening behaviors. Predicted stress-strain responses from this model are compared to experimental data from cyclic tests on uniaxial specimens. An algorithm is developed for the efficient integration of the Bodner flow equation. A comparison is made with the Euler integration method. An analysis of computational time is presented for the three algorithms.

On the Minimal Accuracy Required for Simulating Self-gravitating Systems by Means of Direct N-body Methods

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; Boekholt, Tjarda

2014-04-01

The conservation of energy, linear momentum, and angular momentum are important drivers of our physical understanding of the evolution of the universe. These quantities are also conserved in Newton's laws of motion under gravity. Numerical integration of the associated equations of motion is extremely challenging, in particular due to the steady growth of numerical errors (by round-off and discrete time-stepping and the exponential divergence between two nearby solutions. As a result, numerical solutions to the general N-body problem are intrinsically questionable. Using brute force integrations to arbitrary numerical precision we demonstrate empirically that ensembles of different realizations of resonant three-body interactions produce statistically indistinguishable results. Although individual solutions using common integration methods are notoriously unreliable, we conjecture that an ensemble of approximate three-body solutions accurately represents an ensemble of true solutions, so long as the energy during integration is conserved to better than 1/10. We therefore provide an independent confirmation that previous work on self-gravitating systems can actually be trusted, irrespective of the intrinsically chaotic nature of the N-body problem.

A Computing Method for Sound Propagation Through a Nonuniform Jet Stream

NASA Technical Reports Server (NTRS)

Padula, S. L.; Liu, C. H.

1974-01-01

Understanding the principles of jet noise propagation is an essential ingredient of systematic noise reduction research. High speed computer methods offer a unique potential for dealing with complex real life physical systems whereas analytical solutions are restricted to sophisticated idealized models. The classical formulation of sound propagation through a jet flow was found to be inadequate for computer solutions and a more suitable approach was needed. Previous investigations selected the phase and amplitude of the acoustic pressure as dependent variables requiring the solution of a system of nonlinear algebraic equations. The nonlinearities complicated both the analysis and the computation. A reformulation of the convective wave equation in terms of a new set of dependent variables is developed with a special emphasis on its suitability for numerical solutions on fast computers. The technique is very attractive because the resulting equations are linear in nonwaving variables. The computer solution to such a linear system of algebraic equations may be obtained by well-defined and direct means which are conservative of computer time and storage space. Typical examples are illustrated and computational results are compared with available numerical and experimental data.

Construction of exchange repulsion in terms of the wave functions at QM/MM boundary region

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

Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Umino, Satoru; Morita, Akihiro

2015-08-28

We developed a simple method to calculate exchange repulsion between a quantum mechanical (QM) solute and a molecular mechanical (MM) molecule in the QM/MM approach. In our method, the size parameter in the Buckingham type potential for the QM solute is directly determined in terms of the one-electron wave functions of the solute. The point of the method lies in the introduction of the exchange core function (ECF) defined as a Slater function which mimics the behavior of the exterior electron density at the QM/MM boundary region. In the present paper, the ECF was constructed in terms of the Becke-Rousselmore » (BR) exchange hole function. It was demonstrated that the ECF yielded by the BR procedure can faithfully reproduce the radial behavior of the electron density of a QM solute. The size parameter of the solute as well as the exchange repulsion are, then, obtained using the overlap model without any fitting procedure. To examine the efficiency of the method, it was applied to calculation of the exchange repulsions for minimal QM/MM systems, hydrogen-bonded water dimer, and H{sub 3}O{sup +}–H{sub 2}O. We found that our approach is able to reproduce the potential energy curves for these systems showing reasonable agreements with those given by accurate full quantum chemical calculations.« less

A review of recent advances in the spherical harmonics expansion method for semiconductor device simulation.

PubMed

Rupp, K; Jungemann, C; Hong, S-M; Bina, M; Grasser, T; Jüngel, A

The Boltzmann transport equation is commonly considered to be the best semi-classical description of carrier transport in semiconductors, providing precise information about the distribution of carriers with respect to time (one dimension), location (three dimensions), and momentum (three dimensions). However, numerical solutions for the seven-dimensional carrier distribution functions are very demanding. The most common solution approach is the stochastic Monte Carlo method, because the gigabytes of memory requirements of deterministic direct solution approaches has not been available until recently. As a remedy, the higher accuracy provided by solutions of the Boltzmann transport equation is often exchanged for lower computational expense by using simpler models based on macroscopic quantities such as carrier density and mean carrier velocity. Recent developments for the deterministic spherical harmonics expansion method have reduced the computational cost for solving the Boltzmann transport equation, enabling the computation of carrier distribution functions even for spatially three-dimensional device simulations within minutes to hours. We summarize recent progress for the spherical harmonics expansion method and show that small currents, reasonable execution times, and rare events such as low-frequency noise, which are all hard or even impossible to simulate with the established Monte Carlo method, can be handled in a straight-forward manner. The applicability of the method for important practical applications is demonstrated for noise simulation, small-signal analysis, hot-carrier degradation, and avalanche breakdown.

Intercomparison of 3D pore-scale flow and solute transport simulation methods

DOE PAGES

Mehmani, Yashar; Schoenherr, Martin; Pasquali, Andrea; ...

2015-09-28

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This paper provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.« less

Intercomparison of 3D pore-scale flow and solute transport simulation methods

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

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.« less

THE MONITORING OF EFFLUENT FOR ALPHA EMITTERS. PART II. METHODS FOR THE DETERMINATION OF URANIUM, POLONIUM AND OTHER ALPHA EMITTERS

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

Smales, A.A.; Airey, L.; Woodward, J.

1950-06-01

Consideration has been given to the problem of separating and estimating uranium, polonium, and other alpha emitters (in order to provide analytical methods for their routine determination in conformily with the draft agreement on the Harwell effluent). Uranium may be ether extracted from solutions of ammonium nitrate as salting out agent at pHl with an efficiency of 98 to 99%. The deposition of polonium on silver foil is a specific method for this element and under prescribed conditions similar extraction efficiencies may be obtained. An adequate separation from all other alpha emitters'' is obtained and methods for the estimation ofmore » these are discussed. A comprehensive scheme involving a preliminary activity concentration step has been elaborated. Uranium, polonium, and the majority of the other alpha emitters'' are precipitated as their tannin complexes at pH8 using calcium hydroxide, the calcium-tannin complex acting as a carrier. That part of the activity remaining in solution is determined as in the total activity method, previously described. From the solution of the precipitate, polonium is first separated by electrodeposition, and then uranium by ether extraction in the presence of ammonium nitrate. The majority of the other alpha emitters'' still in the aqueous ammonium nitrate solution are collected on a second calcium-tannin precipitate, while the small part remaining in solution after this operation is obtained by direct evaporation. (auth)« less

A Finite Element Projection Method for the Solution of Particle Transport Problems with Anisotropic Scattering.

DTIC Science & Technology

1984-07-01

piecewise constant energy dependence. This is a seven-dimensional problem with time dependence, three spatial and two angular or directional variables and...in extending the computer implementation of the method to time and energy dependent problems, and to solving and validating this technique on a...problems they have severe limitations. The Monte Carlo method, usually requires the use of many hours of expensive computer time , and for deep

Multigrid Methods for Fully Implicit Oil Reservoir Simulation

NASA Technical Reports Server (NTRS)

Molenaar, J.

1996-01-01

In this paper we consider the simultaneous flow of oil and water in reservoir rock. This displacement process is modeled by two basic equations: the material balance or continuity equations and the equation of motion (Darcy's law). For the numerical solution of this system of nonlinear partial differential equations there are two approaches: the fully implicit or simultaneous solution method and the sequential solution method. In the sequential solution method the system of partial differential equations is manipulated to give an elliptic pressure equation and a hyperbolic (or parabolic) saturation equation. In the IMPES approach the pressure equation is first solved, using values for the saturation from the previous time level. Next the saturations are updated by some explicit time stepping method; this implies that the method is only conditionally stable. For the numerical solution of the linear, elliptic pressure equation multigrid methods have become an accepted technique. On the other hand, the fully implicit method is unconditionally stable, but it has the disadvantage that in every time step a large system of nonlinear algebraic equations has to be solved. The most time-consuming part of any fully implicit reservoir simulator is the solution of this large system of equations. Usually this is done by Newton's method. The resulting systems of linear equations are then either solved by a direct method or by some conjugate gradient type method. In this paper we consider the possibility of applying multigrid methods for the iterative solution of the systems of nonlinear equations. There are two ways of using multigrid for this job: either we use a nonlinear multigrid method or we use a linear multigrid method to deal with the linear systems that arise in Newton's method. So far only a few authors have reported on the use of multigrid methods for fully implicit simulations. Two-level FAS algorithm is presented for the black-oil equations, and linear multigrid for two-phase flow problems with strong heterogeneities and anisotropies is studied. Here we consider both possibilities. Moreover we present a novel way for constructing the coarse grid correction operator in linear multigrid algorithms. This approach has the advantage in that it preserves the sparsity pattern of the fine grid matrix and it can be extended to systems of equations in a straightforward manner. We compare the linear and nonlinear multigrid algorithms by means of a numerical experiment.

A new extrapolation cascadic multigrid method for three dimensional elliptic boundary value problems

NASA Astrophysics Data System (ADS)

Pan, Kejia; He, Dongdong; Hu, Hongling; Ren, Zhengyong

2017-09-01

In this paper, we develop a new extrapolation cascadic multigrid method, which makes it possible to solve three dimensional elliptic boundary value problems with over 100 million unknowns on a desktop computer in half a minute. First, by combining Richardson extrapolation and quadratic finite element (FE) interpolation for the numerical solutions on two-level of grids (current and previous grids), we provide a quite good initial guess for the iterative solution on the next finer grid, which is a third-order approximation to the FE solution. And the resulting large linear system from the FE discretization is then solved by the Jacobi-preconditioned conjugate gradient (JCG) method with the obtained initial guess. Additionally, instead of performing a fixed number of iterations as used in existing cascadic multigrid methods, a relative residual tolerance is introduced in the JCG solver, which enables us to obtain conveniently the numerical solution with the desired accuracy. Moreover, a simple method based on the midpoint extrapolation formula is proposed to achieve higher-order accuracy on the finest grid cheaply and directly. Test results from four examples including two smooth problems with both constant and variable coefficients, an H3-regular problem as well as an anisotropic problem are reported to show that the proposed method has much better efficiency compared to the classical V-cycle and W-cycle multigrid methods. Finally, we present the reason why our method is highly efficient for solving these elliptic problems.

Deionization and desalination using electrostatic ion pumping

DOEpatents

Bourcier, William L.; Aines, Roger D.; Haslam, Jeffery J.; Schaldach, Charlene M.; O& #x27; Brien, Kevin C.; Cussler, Edward

2013-06-11

The present invention provides a new method and apparatus/system for purifying ionic solutions, such as, for example, desalinating water, using engineered charged surfaces to sorb ions from such solutions. Surface charge is applied externally, and is synchronized with oscillatory fluid movements between substantially parallel charged plates. Ions are held in place during fluid movement in one direction (because they are held in the electrical double layer), and released for transport during fluid movement in the opposite direction by removing the applied electric field. In this way the ions, such as salt, are "ratcheted" across the charged surface from the feed side to the concentrate side. The process itself is very simple and involves only pumps, charged surfaces, and manifolds for fluid collection.

Deionization and desalination using electrostatic ion pumping

DOEpatents

Bourcier, William L [Livermore, CA; Aines, Roger D [Livermore, CA; Haslam, Jeffery J [Livermore, CA; Schaldach, Charlene M [Pleasanton, CA; O'Brien, Kevin C [San Ramon, CA; Cussler, Edward [Edina, MN

2011-07-19

The present invention provides a new method and apparatus/system for purifying ionic solutions, such as, for example, desalinating water, using engineered charged surfaces to sorb ions from such solutions. Surface charge is applied externally, and is synchronized with oscillatory fluid movements between substantially parallel charged plates. Ions are held in place during fluid movement in one direction (because they are held in the electrical double layer), and released for transport during fluid movement in the opposite direction by removing the applied electric field. In this way the ions, such as salt, are "ratcheted" across the charged surface from the feed side to the concentrate side. The process itself is very simple and involves only pumps, charged surfaces, and manifolds for fluid collection.

Directivity analysis of meander-line-coil EMATs with a wholly analytical method.

PubMed

Xie, Yuedong; Liu, Zenghua; Yin, Liyuan; Wu, Jiande; Deng, Peng; Yin, Wuliang

2017-01-01

This paper presents the simulation and experimental study of the radiation pattern of a meander-line-coil EMAT. A wholly analytical method, which involves the coupling of two models: an analytical EM model and an analytical UT model, has been developed to build EMAT models and analyse the Rayleigh waves' beam directivity. For a specific sensor configuration, Lorentz forces are calculated using the EM analytical method, which is adapted from the classic Deeds and Dodd solution. The calculated Lorentz force density are imported to an analytical ultrasonic model as driven point sources, which produce the Rayleigh waves within a layered medium. The effect of the length of the meander-line-coil on the Rayleigh waves' beam directivity is analysed quantitatively and verified experimentally. Copyright © 2016 Elsevier B.V. All rights reserved.

A Numerical Comparison of Barrier and Modified Barrier Methods for Large-Scale Bound-Constrained Optimization

NASA Technical Reports Server (NTRS)

Nash, Stephen G.; Polyak, R.; Sofer, Ariela

1994-01-01

When a classical barrier method is applied to the solution of a nonlinear programming problem with inequality constraints, the Hessian matrix of the barrier function becomes increasingly ill-conditioned as the solution is approached. As a result, it may be desirable to consider alternative numerical algorithms. We compare the performance of two methods motivated by barrier functions. The first is a stabilized form of the classical barrier method, where a numerically stable approximation to the Newton direction is used when the barrier parameter is small. The second is a modified barrier method where a barrier function is applied to a shifted form of the problem, and the resulting barrier terms are scaled by estimates of the optimal Lagrange multipliers. The condition number of the Hessian matrix of the resulting modified barrier function remains bounded as the solution to the constrained optimization problem is approached. Both of these techniques can be used in the context of a truncated-Newton method, and hence can be applied to large problems, as well as on parallel computers. In this paper, both techniques are applied to problems with bound constraints and we compare their practical behavior.

Real-time inextensible surgical thread simulation.

PubMed

Xu, Lang; Liu, Qian

2018-03-27

This paper discusses a real-time simulation method of inextensible surgical thread based on the Cosserat rod theory using position-based dynamics (PBD). The method realizes stable twining and knotting of surgical thread while including inextensibility, bending, twisting and coupling effects. The Cosserat rod theory is used to model the nonlinear elastic behavior of surgical thread. The surgical thread model is solved with PBD to achieve a real-time, extremely stable simulation. Due to the one-dimensional linear structure of surgical thread, the direct solution of the distance constraint based on tridiagonal matrix algorithm is used to enhance stretching resistance in every constraint projection iteration. In addition, continuous collision detection and collision response guarantee a large time step and high performance. Furthermore, friction is integrated into the constraint projection process to stabilize the twining of multiple threads and complex contact situations. Through comparisons with existing methods, the surgical thread maintains constant length under large deformation after applying the direct distance constraint in our method. The twining and knotting of multiple threads correspond to stable solutions to contact and friction forces. A surgical suture scene is also modeled to demonstrate the practicality and simplicity of our method. Our method achieves stable and fast simulation of inextensible surgical thread. Benefiting from the unified particle framework, the rigid body, elastic rod, and soft body can be simultaneously simulated. The method is appropriate for applications in virtual surgery that require multiple dynamic bodies.

Fast two-stream method for computing diurnal-mean actinic flux in vertically inhomogeneous atmospheres

NASA Technical Reports Server (NTRS)

Filyushkin, V. V.; Madronich, S.; Brasseur, G. P.; Petropavlovskikh, I. V.

1994-01-01

Based on a derivation of the two-stream daytime-mean equations of radiative flux transfer, a method for computing the daytime-mean actinic fluxes in the absorbing and scattering vertically inhomogeneous atmosphere is suggested. The method applies direct daytime integration of the particular solutions of the two-stream approximations or the source functions. It is valid for any duration of period of averaging. The merit of the method is that the multiple scattering computation is carried out only once for the whole averaging period. It can be implemented with a number of widely used two-stream approximations. The method agrees with the results obtained with 200-point multiple scattering calculations. The method was also tested in runs with a 1-km cloud layer with optical depth of 10, as well as with aerosol background. Comparison of the results obtained for a cloud subdivided into 20 layers with those obtained for a one-layer cloud with the same optical parameters showed that direct integration of particular solutions possesses an 'analytical' accuracy. In the case of the source function interpolation, the actinic fluxes calculated above the one-layer and 20-layer clouds agreed within 1%-1.5%, while below the cloud they may differ up to 5% (in the worst case). The ways of enhancing the accuracy (in a 'two-stream sense') and computational efficiency of the method are discussed.

A Genetic Algorithm Method for Direct estimation of paleostress states from heterogeneous fault-slip observations

NASA Astrophysics Data System (ADS)

Srivastava, D. C.

2016-12-01

A Genetic Algorithm Method for Direct estimation of paleostress states from heterogeneous fault-slip observationsDeepak C. Srivastava, Prithvi Thakur and Pravin K. GuptaDepartment of Earth Sciences, Indian Institute of Technology Roorkee, Roorkee 247667, India. Abstract Paleostress estimation from a group of heterogeneous fault-slip observations entails first the classification of the observations into homogeneous fault sets and then a separate inversion of each homogeneous set. This study combines these two issues into a nonlinear inverse problem and proposes a heuristic search method that inverts the heterogeneous fault-slip observations. The method estimates different paleostress states in a group of heterogeneous fault-slip observations and classifies it into homogeneous sets as a byproduct. It uses the genetic algorithm operators, elitism, selection, encoding, crossover and mutation. These processes translate into a guided search that finds successively fitter solutions and operate iteratively until the termination criteria is met and the globally fittest stress tensors are obtained. We explain the basic steps of the algorithm on a working example and demonstrate validity of the method on several synthetic and a natural group of heterogeneous fault-slip observations. The method is independent of any user-defined bias or any entrapment of solution in a local optimum. It succeeds even in the difficult situations where other classification methods are found to fail.

Hypersonic shock structure with Burnett terms in the viscous stress and heat flux

NASA Technical Reports Server (NTRS)

Chapman, Dean R.; Fiscko, Kurt A.

1988-01-01

The continuum Navier-Stokes and Burnett equations are solved for one-dimensional shock structure in various monatomic gases. A new numerical method is employed which utilizes the complete time-dependent continuum equations and obtains the steady-state shock structure by allowing the system to relax from arbitrary initial conditions. Included is discussion of numerical difficulties encountered when solving the Burnett equations. Continuum solutions are compared to those obtained utilizing the Direct Simulation Monte Carlo method. Shock solutions are obtained for a hard sphere gas and for argon from Mach 1.3 to Mach 50. Solutions for a Maxwellian gas are obtained from Mach 1.3 to Mach 3.8. It is shown that the Burnett equations yield shock structure solutions in much closer agreement to both Monte Carlo and experimental results than do the Navier-Stokes equations. Shock density thickness, density asymmetry, and density-temperature separation are all more accurately predicted by the Burnett equations than by the Navier-Stokes equations.

Atomic absorption spectrometric determination of copper, zinc, and lead in geological materials

USGS Publications Warehouse

Sanzolone, R.F.; Chao, T.T.

1976-01-01

An atomic absorption spectrometric method is described for the determination of copper, zinc, and lead in geological materials. The sample is digested with HF-HCl-H2O2; the final solution for analysis is in 10 % (v/v) HCl. Copper and zinc are determined directly by aspirating the solution into an air-acetylene flame. A separate aliquot of the solution is used for determination of lead; lead is extracted into TOPO-MIBK from the acidic solution in the presence of iodide and ascorbic acid. For a 0.50-g sample, the limits of determination are 10-2000 p.p.m. for Cu and Zn, and 5-5000 p.p.m. for Pb. As much as 40 % Fe or Ca. and 10 % Al, Mg, or Mn in the sample do not interfere. The proposed method can be applied to the determination of copper, zinc, and lead in a wide range of geological materials including iron- and manganese-rich, calcareous and carbonate samples. ?? 1976.

Generalized analytic solutions and response characteristics of magnetotelluric fields on anisotropic infinite faults

NASA Astrophysics Data System (ADS)

Bing, Xue; Yicai, Ji

2018-06-01

In order to understand directly and analyze accurately the detected magnetotelluric (MT) data on anisotropic infinite faults, two-dimensional partial differential equations of MT fields are used to establish a model of anisotropic infinite faults using the Fourier transform method. A multi-fault model is developed to expand the one-fault model. The transverse electric mode and transverse magnetic mode analytic solutions are derived using two-infinite-fault models. The infinite integral terms of the quasi-analytic solutions are discussed. The dual-fault model is computed using the finite element method to verify the correctness of the solutions. The MT responses of isotropic and anisotropic media are calculated to analyze the response functions by different anisotropic conductivity structures. The thickness and conductivity of the media, influencing MT responses, are discussed. The analytic principles are also given. The analysis results are significant to how MT responses are perceived and to the data interpretation of the complex anisotropic infinite faults.

Solid-phase microextraction for qualitative and quantitative determination of migrated degradation products of antioxidants in an organic aqueous solution.

PubMed

Burman, Lina; Albertsson, Ann-Christine; Höglund, Anders

2005-07-08

Low molecular weight aromatic substances may migrate out from plastic packaging to their contents, especially if they consist of organic aqueous solutions or oils. It is, therefore, extremely important to be able to identify and quantify any migrated substances in such solutions, even at very low concentrations. We have in this work investigated and evaluated the use of solid-phase microextraction for the specific task of extraction from an organic aqueous solution such as a simulated pharmaceutical solution consisting of 10 vol.% ethanol in water. The goal was furthermore to investigate the possibility of simultaneously identifying and quantifying the substances in spite of differences in their chemical structures. Methods were developed and evaluated for extraction both with direct sampling and with headspace sampling. Difficulties appeared due to the ethanol in the solution and the minute amounts of substances present. We have shown that a simultaneous quantification of migrated low molecular weight degradation products of antioxidants using only one fibre is possible if the extraction method and temperature are adjusted in relation to the concentration levels of the analytes. Comparions were made with solid-phase extraction.

End-Member Formulation of Solid Solutions and Reactive Transport

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

Lichtner, Peter C.

2015-09-01

A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed tomore » correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.« less

Fast and robust brain tumor segmentation using level set method with multiple image information.

PubMed

Lok, Ka Hei; Shi, Lin; Zhu, Xianlun; Wang, Defeng

2017-01-01

Brain tumor segmentation is a challenging task for its variation in intensity. The phenomenon is caused by the inhomogeneous content of tumor tissue and the choice of imaging modality. In 2010 Zhang developed the Selective Binary Gaussian Filtering Regularizing Level Set (SBGFRLS) model that combined the merits of edge-based and region-based segmentation. To improve the SBGFRLS method by modifying the singed pressure force (SPF) term with multiple image information and demonstrate effectiveness of proposed method on clinical images. In original SBGFRLS model, the contour evolution direction mainly depends on the SPF. By introducing a directional term in SPF, the metric could control the evolution direction. The SPF is altered by statistic values enclosed by the contour. This concept can be extended to jointly incorporate multiple image information. The new SPF term is expected to bring a solution for blur edge problem in brain tumor segmentation. The proposed method is validated with clinical images including pre- and post-contrast magnetic resonance images. The accuracy and robustness is compared with sensitivity, specificity, DICE similarity coefficient and Jaccard similarity index. Experimental results show improvement, in particular the increase of sensitivity at the same specificity, in segmenting all types of tumors except for the diffused tumor. The novel brain tumor segmentation method is clinical-oriented with fast, robust and accurate implementation and a minimal user interaction. The method effectively segmented homogeneously enhanced, non-enhanced, heterogeneously-enhanced, and ring-enhanced tumor under MR imaging. Though the method is limited by identifying edema and diffuse tumor, several possible solutions are suggested to turn the curve evolution into a fully functional clinical diagnosis tool.

Automated iodine monitor system. [for aqueous solutions

NASA Technical Reports Server (NTRS)

1973-01-01

The feasibility of a direct spectrophotometric measurement of iodine in water was established. An iodine colorimeter, was built to demonstrate the practicality of this technique. The specificity of this method was verified when applied to an on-line system where a reference solution cannot be used, and a preliminary design is presented for an automated iodine measuring and controlling system meeting the desired specifications. An Automated iodine monitor/controller system based on this preliminary design was built, tested, and delivered to the Johnson Space Center.

A New Multifunctional Sensor for Measuring Concentrations of Ternary Solution

NASA Astrophysics Data System (ADS)

Wei, Guo; Shida, Katsunori

This paper presents a multifunctional sensor with novel structure, which is capable of directly sensing temperature and two physical parameters of solutions, namely ultrasonic velocity and conductivity. By combined measurement of these three measurable parameters, the concentrations of various components in a ternary solution can be simultaneously determined. The structure and operation principle of the sensor are described, and a regression algorithm based on natural cubic spline interpolation and the least square method is adopted to estimate the concentrations. The performances of the proposed sensor are experimentally tested by the use of ternary aqueous solution of sodium chloride and sucrose, which is widely involved in food and beverage industries. This sensor could prove valuable as a process control sensor in industry fields.

Procedures and results related to the direct determination of gravity anomalies from satellite and terrestrial gravity data

NASA Technical Reports Server (NTRS)

Rapp, R. H.

1974-01-01

The equations needed for the incorporation of gravity anomalies as unknown parameters in an orbit determination program are described. These equations were implemented in the Geodyn computer program which was used to process optical satellite observations. The arc dependent parameter unknowns, 184 unknown 15 deg and coordinates of 7 tracking stations were considered. Up to 39 arcs (5 to 7 days) involving 10 different satellites, were processed. An anomaly solution from the satellite data and a combination solution with 15 deg terrestrial anomalies were made. The limited data samples indicate that the method works. The 15 deg anomalies from various solutions and the potential coefficients implied by the different solutions are reported.

Experimental Phasing: Substructure Solution and Density Modification as Implemented in SHELX.

PubMed

Thorn, Andrea

2017-01-01

This chapter describes experimental phasing methods as implemented in SHELX. After introducing fundamental concepts underlying all experimental phasing approaches, the methods used by SHELXC/D/E are described in greater detail, such as dual-space direct methods, Patterson seeding and density modification with the sphere of influence algorithm. Intensity differences from data for experimental phasing can also be used for the generation and usage of difference maps with ANODE for validation and phasing purposes. A short section describes how molecular replacement can be combined with experimental phasing methods. The second half covers practical challenges, such as prerequisites for successful experimental phasing, evaluation of potential solutions, and what to do if substructure search or density modification fails. It is also shown how auto-tracing in SHELXE can improve automation and how it ties in with automatic model building after phasing.

A study of various methods for calculating locations of lightning events

NASA Technical Reports Server (NTRS)

Cannon, John R.

1995-01-01

This article reports on the results of numerical experiments on finding the location of lightning events using different numerical methods. The methods include linear least squares, nonlinear least squares, statistical estimations, cluster analysis and angular filters and combinations of such techniques. The experiments involved investigations of methods for excluding fake solutions which are solutions that appear to be reasonable but are in fact several kilometers distant from the actual location. Some of the conclusions derived from the study are that bad data produces fakes, that no fool-proof method of excluding fakes was found, that a short base-line interferometer under development at Kennedy Space Center to measure the direction cosines of an event shows promise as a filter for excluding fakes. The experiments generated a number of open questions, some of which are discussed at the end of the report.

Facile Fabrication of Platinum-Cobalt Alloy Nanoparticles with Enhanced Electrocatalytic Activity for a Methanol Oxidation Reaction

NASA Astrophysics Data System (ADS)

Huang, Huihong; Hu, Xiulan; Zhang, Jianbo; Su, Nan; Cheng, Jiexu

2017-03-01

Decreasing the cost associated with platinum-based catalysts along with improving their catalytic properties is a major challenge for commercial direct methanol fuel cells. In this work, a simple and facile strategy was developed for the more efficient preparation of multi-walled carbon nanotube (MWCNT) -supported Pt/CoPt composite nanoparticles (NPs) via solution plasma sputtering with subsequent thermal annealing. Quite different from general wet synthesis methods, Pt/CoPt composite NPs were directly derived from metal wire electrodes without any additions. The obtained Pt/CoPt/MWCNTs composite catalysts exhibited tremendous improvement in the electro-oxidation of methanol in acidic media with mass activities of 1719 mA mg-1Pt. This value is much higher than that of previous reports of Pt-Co alloy and commercial Pt/C (3.16 times) because of the many active sites and clean surface of the catalysts. The catalysts showed good stability due to the special synergistic effects of the CoPt alloy. Pt/CoPt/MWCNTs can be used as a promising catalyst for direct methanol fuel cells. In addition, this solution plasma sputtering-assisted synthesis method introduces a general and feasible route for the synthesis of binary alloys.

Facile Fabrication of Platinum-Cobalt Alloy Nanoparticles with Enhanced Electrocatalytic Activity for a Methanol Oxidation Reaction.

PubMed

Huang, Huihong; Hu, Xiulan; Zhang, Jianbo; Su, Nan; Cheng, JieXu

2017-03-30

Decreasing the cost associated with platinum-based catalysts along with improving their catalytic properties is a major challenge for commercial direct methanol fuel cells. In this work, a simple and facile strategy was developed for the more efficient preparation of multi-walled carbon nanotube (MWCNT) -supported Pt/CoPt composite nanoparticles (NPs) via solution plasma sputtering with subsequent thermal annealing. Quite different from general wet synthesis methods, Pt/CoPt composite NPs were directly derived from metal wire electrodes without any additions. The obtained Pt/CoPt/MWCNTs composite catalysts exhibited tremendous improvement in the electro-oxidation of methanol in acidic media with mass activities of 1719 mA mg -1 Pt . This value is much higher than that of previous reports of Pt-Co alloy and commercial Pt/C (3.16 times) because of the many active sites and clean surface of the catalysts. The catalysts showed good stability due to the special synergistic effects of the CoPt alloy. Pt/CoPt/MWCNTs can be used as a promising catalyst for direct methanol fuel cells. In addition, this solution plasma sputtering-assisted synthesis method introduces a general and feasible route for the synthesis of binary alloys.

Analysis of environmental dispersion in a wetland flow under the effect of wind: Extended solution

NASA Astrophysics Data System (ADS)

Wang, Huilin; Huai, Wenxin

2018-02-01

The accurate analysis of the contaminant transport process in wetland flows is essential for environmental assessment. However, dispersivity assessment becomes complicated when the wind strength and direction are taken into consideration. Prior studies illustrating the wind effect on environmental dispersion in wetland flows simply focused on the mean longitudinal concentration distribution. Moreover, the results obtained by these analyses are not accurate when done on a smaller scale, namely, the initial stage of the contaminant transport process. By combining the concentration moments method (the Aris' method) and Gill's expansion theory, the previous researches on environmental dispersion in wetland flows with effect of wind have been extended. By adopting up to 4th-order moments, the wind effect-as illustrated by dimensionless parameters Er (wind force) and ω (wind direction)-on kurtosis and skewness is discussed, the up to 4th-order vertical concentration distribution is obtained, and the two-dimensional concentration distribution is illustrated. This work demonstrates that wind intensity and direction can significantly affect the contaminant dispersion. Moreover, the study presents a more accurate analytical solution of environmental dispersion in wetland flows under various wind conditions.

Molecular-Level Simulations of the Turbulent Taylor-Green Flow

NASA Astrophysics Data System (ADS)

Gallis, M. A.; Bitter, N. P.; Koehler, T. P.; Plimpton, S. J.; Torczynski, J. R.; Papadakis, G.

2017-11-01

The Direct Simulation Monte Carlo (DSMC) method, a statistical, molecular-level technique that provides accurate solutions to the Boltzmann equation, is applied to the turbulent Taylor-Green vortex flow. The goal of this work is to investigate whether DSMC can accurately simulate energy decay in a turbulent flow. If so, then simulating turbulent flows at the molecular level can provide new insights because the energy decay can be examined in detail from molecular to macroscopic length scales, thereby directly linking molecular relaxation processes to macroscopic transport processes. The DSMC simulations are performed on half a million cores of Sequoia, the 17 Pflop platform at Lawrence Livermore National Laboratory, and the kinetic-energy dissipation rate and the energy spectrum are computed directly from the molecular velocities. The DSMC simulations are found to reproduce the Kolmogorov -5/3 law and to agree with corresponding Navier-Stokes simulations obtained using a spectral method. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

ENVIRONMENTALLY CONSCIOUS ELECTROCHEMICAL MACHINING FOR ZERO DISCHARGE AND METAL RECYCLING - PHASE I

EPA Science Inventory

Quaternized poly(vinyl alcohol)/alumina composite polymer membranes for alkaline direct methanol fuel cells

NASA Astrophysics Data System (ADS)

Yang, Chun-Chen; Chiu, Shwu-Jer; Chien, Wen-Chen; Chiu, Sheng-Shin

The quaternized poly(vinyl alcohol)/alumina (designated as QPVA/Al 2O 3) nanocomposite polymer membrane was prepared by a solution casting method. The characteristic properties of the QPVA/Al 2O 3 nanocomposite polymer membranes were investigated using thermal gravimetric analysis (TGA), scanning electron microscopy (SEM), dynamic mechanical analysis (DMA), micro-Raman spectroscopy, and AC impedance method. Alkaline direct methanol fuel cell (ADMFC) comprised of the QPVA/Al 2O 3 nanocomposite polymer membrane were assembled and examined. Experimental results indicate that the DMFC employing a cheap non-perfluorinated (QPVA/Al 2O 3) nanocomposite polymer membrane shows excellent electrochemical performances. The peak power densities of the DMFC with 4 M KOH + 1 M CH 3OH, 2 M CH 3OH, and 4 M CH 3OH solutions are 28.33, 32.40, and 36.15 mW cm -2, respectively, at room temperature and in ambient air. The QPVA/Al 2O 3 nanocomposite polymer membranes constitute a viable candidate for applications on alkaline DMFC.

Object-Oriented/Data-Oriented Design of a Direct Simulation Monte Carlo Algorithm

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2014-01-01

Over the past decade, there has been much progress towards improved phenomenological modeling and algorithmic updates for the direct simulation Monte Carlo (DSMC) method, which provides a probabilistic physical simulation of gas Rows. These improvements have largely been based on the work of the originator of the DSMC method, Graeme Bird. Of primary importance are improved chemistry, internal energy, and physics modeling and a reduction in time to solution. These allow for an expanded range of possible solutions In altitude and velocity space. NASA's current production code, the DSMC Analysis Code (DAC), is well-established and based on Bird's 1994 algorithms written in Fortran 77 and has proven difficult to upgrade. A new DSMC code is being developed in the C++ programming language using object-oriented and data-oriented design paradigms to facilitate the inclusion of the recent improvements and future development activities. The development efforts on the new code, the Multiphysics Algorithm with Particles (MAP), are described, and performance comparisons are made with DAC.

Cold Heat Release Characteristics of Solidified Oil Droplet-Water Solution Latent Heat Emulsion by Air Bubbles

NASA Astrophysics Data System (ADS)

Inaba, Hideo; Morita, Shin-Ichi

The present work investigates the cold heat-release characteristics of the solidified oil droplets (tetradecane, C14H30, freezing point 278.9 K)/water solution emulsion as a latent heat-storage material having a low melting point. An air bubbles-emulsion direct-contact heat exchange method is selected for the cold heat-results from the solidified oil droplet-emulsion layer. This type of direct-contact method results in the high thermal efficiency. The diameter of air bubbles in the emulsion increases as compared with that in the pure water. The air bubbles blown from a nozzle show a strong mixing behavior during rising in the emulsion. The temperature effectiveness, the sensible heat release time and the latent heat release time have been measured as experimental parameters. The useful nondimensional emulsion level equations for these parameters have been derived in terms of the nondimensional emalsion level expressed the emulsion layer dimensions, Reynolds number for air flow, Stefan number and heat capacity ratio.

The short pulse equation by a Riemann-Hilbert approach

NASA Astrophysics Data System (ADS)

Boutet de Monvel, Anne; Shepelsky, Dmitry; Zielinski, Lech

2017-07-01

We develop a Riemann-Hilbert approach to the inverse scattering transform method for the short pulse (SP) equation u_{xt}=u+{1/6}(u^3)_{xx} with zero boundary conditions (as |x|→ ∞). This approach is directly applied to a Lax pair for the SP equation. It allows us to give a parametric representation of the solution to the Cauchy problem. This representation is then used for studying the longtime behavior of the solution as well as for retrieving the soliton solutions. Finally, the analysis of the longtime behavior allows us to formulate, in spectral terms, a sufficient condition for the wave breaking.

Optimal and Autonomous Control Using Reinforcement Learning: A Survey.

PubMed

Kiumarsi, Bahare; Vamvoudakis, Kyriakos G; Modares, Hamidreza; Lewis, Frank L

2018-06-01

This paper reviews the current state of the art on reinforcement learning (RL)-based feedback control solutions to optimal regulation and tracking of single and multiagent systems. Existing RL solutions to both optimal and control problems, as well as graphical games, will be reviewed. RL methods learn the solution to optimal control and game problems online and using measured data along the system trajectories. We discuss Q-learning and the integral RL algorithm as core algorithms for discrete-time (DT) and continuous-time (CT) systems, respectively. Moreover, we discuss a new direction of off-policy RL for both CT and DT systems. Finally, we review several applications.

Method for removal of metal atoms from aqueous solution using suspended plant cells

DOEpatents

Jackson, Paul J.; Torres, deceased, Agapito P.; Delhaize, Emmanuel

1992-01-01

The use of plant suspension cultures to remove ionic metallic species and TNT-based explosives and their oxidation products from aqueous solution is described. Several plant strains were investigated including D. innoxia, Citrus citrus, and Black Mexican Sweet Corn. All showed significant ability to remove metal ions. Ions removed to sub-ppm levels include barium, iron, and plutonium. D. innoxia cells growing in media containing weapons effluent contaminated with Ba.sup.2+ also remove TNT, other explosives and oxidation products thereof from solution. The use of dead, dehydrated cells were also found to be of use in treating waste directly.

Method for removal of explosives from aqueous solution using suspended plant cells

DOEpatents

Jackson, Paul J.; Torres, deceased, Agapito P.; Delhaize, Emmanuel

1994-01-01

The use of plant suspension cultures to remove ionic metallic species and TNT-based explosives and their oxidation products from aqueous solution is described. Several plant strains were investigated including D. innoxia, Citrus citrus, and Black Mexican Sweet Corn. All showed significant ability to remove metal ions. Ions removed to sub-ppm levels include barium, iron, and plutonium. D. innoxia cells growing in media containing weapons effluent contaminated with Ba.sup.2+ also remove TNT, other explosives and oxidation products thereof from solution. The use of dead, dehydrated cells was also found to be of use in treating waste directly.

Use of Hydrogen Peroxide to Disinfect Hydroponic Plant Growth Systems

NASA Technical Reports Server (NTRS)

Barta, Daniel J.; Henderson, Keith

2000-01-01

Hydrogen peroxide was studied as an alternative to conventional bleach and rinsing methods to disinfect hydroponic plant growth systems. A concentration of 0.5% hydrogen peroxide was found to be effective. Residual hydrogen peroxide can be removed from the system by repeated rinsing or by flowing the solution through a platinum on aluminum catalyst. Microbial populations were reduced to near zero immediately after treatment but returned to pre-disinfection levels 2 days after treatment. Treating nutrient solution with hydrogen peroxide and planting directly into trays being watered with the nutrient solution without replenishment, was found to be detrimental to lettuce germination and growth.

A novel pretreatment method combining sealing technique with direct injection technique applied for improving biosafety.

PubMed

Wang, Xinyu; Gao, Jing-Lin; Du, Chaohui; An, Jing; Li, MengJiao; Ma, Haiyan; Zhang, Lina; Jiang, Ye

2017-01-01

People today have a stronger interest in the risk of biosafety in clinical bioanalysis. A safe, simple, effective method of preparation is needed urgently. To improve biosafety of clinical analysis, we used antiviral drugs of adefovir and tenofovir as model drugs and developed a safe pretreatment method combining sealing technique with direct injection technique. The inter- and intraday precision (RSD %) of the method were <4%, and the extraction recoveries ranged from 99.4 to 100.7%. Meanwhile, the results showed that standard solution could be used to prepare calibration curve instead of spiking plasma, acquiring more accuracy result. Compared with traditional methods, the novel method not only improved biosecurity of the pretreatment method significantly, but also achieved several advantages including higher precision, favorable sensitivity and satisfactory recovery. With these highly practical and desirable characteristics, the novel method may become a feasible platform in bioanalysis.

Numerical study of radiometric forces via the direct solution of the Boltzmann kinetic equation

NASA Astrophysics Data System (ADS)

Anikin, Yu. A.

2011-07-01

The two-dimensional rarefied gas motion in a Crookes radiometer and the resulting radiometric forces are studied by numerically solving the Boltzmann kinetic equation. The collision integral is directly evaluated using a projection method, and second-order accurate TVD schemes are used to solve the advection equation. The radiometric forces are found as functions of the Knudsen number and the temperatures, and their spatial distribution is analyzed.

Transonic airfoil analysis and design in nonuniform flow

NASA Technical Reports Server (NTRS)

Chang, J. F.; Lan, C. E.

1986-01-01

A nonuniform transonic airfoil code is developed for applications in analysis, inverse design and direct optimization involving an airfoil immersed in propfan slipstream. Problems concerning the numerical stability, convergence, divergence and solution oscillations are discussed. The code is validated by comparing with some known results in incompressible flow. A parametric investigation indicates that the airfoil lift-drag ratio can be increased by decreasing the thickness ratio. A better performance can be achieved if the airfoil is located below the slipstream center. Airfoil characteristics designed by the inverse method and a direct optimization are compared. The airfoil designed with the method of direct optimization exhibits better characteristics and achieves a gain of 22 percent in lift-drag ratio with a reduction of 4 percent in thickness.

One-step direct transfer of pristine single-walled carbon nanotubes for functional nanoelectronics.

PubMed

Wu, Chung Chiang; Liu, Chang Hua; Zhong, Zhaohui

2010-03-10

We report a one-step direct transfer technique for the fabrication of functional nanoelectronic devices using pristine single-walled carbon nanotubes (SWNTs). Suspended SWNTs grown by the chemical vapor deposition (CVD) method are aligned and directly transferred onto prepatterned device electrodes at ambient temperature. Using this technique, we successfully fabricated SWNT electromechanical resonators with gate-tunable resonance frequencies. A fully suspended SWNT p-n diode has also been demonstrated with the diode ideality factor equal to 1. Our method eliminates the organic residues on SWNTs resulting from conventional lithography and solution processing. The results open up opportunities for the fundamental study of electron transport physics in ultraclean SWNTs and for room temperature fabrication of novel functional devices based on pristine SWNTs.

Techniques for Type I Collagen Organization

NASA Astrophysics Data System (ADS)

Anderson-Jackson, LaTecia Diamond

Tissue Engineering is a process in which cells, engineering, and material methods are used in amalgamation to improve biological functions. The purpose of tissue engineering is to develop alternative solutions to treat or cure tissues and organs that have been severely altered or damaged by diseases, congenital defects, trauma, or cancer. One of the most common and most promising biological materials for tissue engineering to develop scaffolds is Type I collagen. A major challenge in biomedical research is aligning Type I collagen to mimic biological structures, such as ligaments, tendons, bones, and other hierarchal aligned structures within the human body. The intent of this research is to examine possible techniques for organizing Type I collagen and to assess which of the techniques is effective for potential biological applications. The techniques used in this research to organize collagen are soft lithography with solution-assisted sonication embossing, directional freezing, and direct poling. The final concentration used for both soft lithography with solution-assisted sonication embossing and direct poling was 1 mg/ml, whereas for directional freezing the final concentration varied between 4mg/ml, 2mg/ml, and 1 mg/ml. These techniques were characterized using the Atomic Force Microscope (AFM) and Helium Ion Microscope (HIM). In this study, we have found that out of the three techniques, the soft lithography and directional freezing techniques have been successful in organizing collagen in a particular pattern, but not alignment. We concluded alignment may be dependent on the pH of collagen and the amount of acetic acid used in collagen solution. However, experiments are still being conducted to optimize all three techniques to align collagen in a unidirectional arrangement.

Use of direct and iterative solvers for estimation of SNP effects in genome-wide selection

PubMed Central

2010-01-01

The aim of this study was to compare iterative and direct solvers for estimation of marker effects in genomic selection. One iterative and two direct methods were used: Gauss-Seidel with Residual Update, Cholesky Decomposition and Gentleman-Givens rotations. For resembling different scenarios with respect to number of markers and of genotyped animals, a simulated data set divided into 25 subsets was used. Number of markers ranged from 1,200 to 5,925 and number of animals ranged from 1,200 to 5,865. Methods were also applied to real data comprising 3081 individuals genotyped for 45181 SNPs. Results from simulated data showed that the iterative solver was substantially faster than direct methods for larger numbers of markers. Use of a direct solver may allow for computing (co)variances of SNP effects. When applied to real data, performance of the iterative method varied substantially, depending on the level of ill-conditioning of the coefficient matrix. From results with real data, Gentleman-Givens rotations would be the method of choice in this particular application as it provided an exact solution within a fairly reasonable time frame (less than two hours). It would indeed be the preferred method whenever computer resources allow its use. PMID:21637627

Influence of pH on optoelectronic properties of zinc sulphide thin films prepared using hydrothermal and spin coating method

NASA Astrophysics Data System (ADS)

Choudapur, V. H.; Bennal, A. S.; Raju, A. B.

2018-04-01

The ZnS nanomaterial is synthesized by hydrothermal method under optimized conditions using Zinc acetate and sodium sulphide as precursors. The Zinc Sulphide thin films are obtained by simple spin coating method with high optical transmittance. The prepared thin films are adhesive and uniform. The x-ray diffraction analysis showed that the films are polycrystalline in cubic phase with the preferred orientation along (111) direction. Current-voltage curves were recorded at room temperature using Keithley 617 programmable electrometer and conductivity is calculated for the film coated on ITO by two probe method. The pH of the solution is varied by using ammonia and hydrochloric acid. The comparative studies of effect of pH on the morphology, crystallanity and optoelectronic properties of the films are studied. It is observed that the pH of the solution has large influence on optoelectronic properties. The thin film prepared with neutral pH has higher crystallanity, bandgap and conductivity as compared to the samples prepared in acidic or basic solutions.

Application of Fast Multipole Methods to the NASA Fast Scattering Code

NASA Technical Reports Server (NTRS)

Dunn, Mark H.; Tinetti, Ana F.

2008-01-01

The NASA Fast Scattering Code (FSC) is a versatile noise prediction program designed to conduct aeroacoustic noise reduction studies. The equivalent source method is used to solve an exterior Helmholtz boundary value problem with an impedance type boundary condition. The solution process in FSC v2.0 requires direct manipulation of a large, dense system of linear equations, limiting the applicability of the code to small scales and/or moderate excitation frequencies. Recent advances in the use of Fast Multipole Methods (FMM) for solving scattering problems, coupled with sparse linear algebra techniques, suggest that a substantial reduction in computer resource utilization over conventional solution approaches can be obtained. Implementation of the single level FMM (SLFMM) and a variant of the Conjugate Gradient Method (CGM) into the FSC is discussed in this paper. The culmination of this effort, FSC v3.0, was used to generate solutions for three configurations of interest. Benchmarking against previously obtained simulations indicate that a twenty-fold reduction in computational memory and up to a four-fold reduction in computer time have been achieved on a single processor.

Comparison between results of solution of Burgers' equation and Laplace's equation by Galerkin and least-square finite element methods

NASA Astrophysics Data System (ADS)

Adib, Arash; Poorveis, Davood; Mehraban, Farid

2018-03-01

In this research, two equations are considered as examples of hyperbolic and elliptic equations. In addition, two finite element methods are applied for solving of these equations. The purpose of this research is the selection of suitable method for solving each of two equations. Burgers' equation is a hyperbolic equation. This equation is a pure advection (without diffusion) equation. This equation is one-dimensional and unsteady. A sudden shock wave is introduced to the model. This wave moves without deformation. In addition, Laplace's equation is an elliptical equation. This equation is steady and two-dimensional. The solution of Laplace's equation in an earth dam is considered. By solution of Laplace's equation, head pressure and the value of seepage in the directions X and Y are calculated in different points of earth dam. At the end, water table is shown in the earth dam. For Burgers' equation, least-square method can show movement of wave with oscillation but Galerkin method can not show it correctly (the best method for solving of the Burgers' equation is discrete space by least-square finite element method and discrete time by forward difference.). For Laplace's equation, Galerkin and least square methods can show water table correctly in earth dam.

Measuring the state of charge of the electrolyte solution in a vanadium redox flow battery using a four-pole cell device

NASA Astrophysics Data System (ADS)

Ngamsai, Kittima; Arpornwichanop, Amornchai

2015-12-01

The decrease in the efficiency and capacity of a vanadium redox flow battery (VRB) caused by an electrolyte imbalance is an important impediment to its long-term operation. Knowing the state of charge (SOC) of an electrolyte solution can quantify the level of the electrolyte imbalance in the VRB. In this study, a four-pole cell device is devised and employed to predict the SOC. The proposed method directly measures the ionic resistance of the electrolyte solution and is sufficiently precise to be applied in real-time mode. Experimental studies on the effects of the operating current on the four-pole cell and the concentrations of vanadium and sulfuric acid in the electrolyte solution are carried out. The results show that the four-pole cell method can be utilized to measure the electrolyte SOC. The concentrations of vanadium and sulfuric acid in the electrolyte solution affect the ionic resistance of the solution. Regarding the capacity and efficiency of the VRB system, the results indicate that the electrical charge is determined from the concentration of vanadium and that the cell voltage depends on the concentration of sulfuric acid in the electrolyte solution. The decreased vanadium concentration and increased sulfuric acid concentration improves the cell voltage efficiency.

The resolvent of singular integral equations. [of kernel functions in mixed boundary value problems

NASA Technical Reports Server (NTRS)

Williams, M. H.

1977-01-01

The investigation reported is concerned with the construction of the resolvent for any given kernel function. In problems with ill-behaved inhomogeneous terms as, for instance, in the aerodynamic problem of flow over a flapped airfoil, direct numerical methods become very difficult. A description is presented of a solution method by resolvent which can be employed in such problems.

A direct vulnerable atherosclerotic plaque elasticity reconstruction method based on an original material-finite element formulation: theoretical framework

PubMed Central

Bouvier, Adeline; Deleaval, Flavien; Doyley, Marvin M; Yazdani, Saami K; Finet, Gérard; Le Floc'h, Simon; Cloutier, Guy; Pettigrew, Roderic I; Ohayon, Jacques

2016-01-01

The peak cap stress (PCS) amplitude is recognized as a biomechanical predictor of vulnerable plaque (VP) rupture. However, quantifying PCS in vivo remains a challenge since the stress depends on the plaque mechanical properties. In response, an iterative material finite element (FE) elasticity reconstruction method using strain measurements has been implemented for the solution of these inverse problems. Although this approach could resolve the mechanical characterization of VPs, it suffers from major limitations since (i) it is not adapted to characterize VPs exhibiting high material discontinuities between inclusions, and (ii) does not permit real time elasticity reconstruction for clinical use. The present theoretical study was therefore designed to develop a direct material-FE algorithm for elasticity reconstruction problems which accounts for material heterogeneities. We originally modified and adapted the extended FE method (Xfem), used mainly in crack analysis, to model material heterogeneities. This new algorithm was successfully applied to six coronary lesions of patients imaged in vivo with intravascular ultrasound. The results demonstrated that the mean relative absolute errors of the reconstructed Young's moduli obtained for the arterial wall, fibrosis, necrotic core, and calcified regions of the VPs decreased from 95.3±15.56%, 98.85±72.42%, 103.29±111.86% and 95.3±10.49%, respectively, to values smaller than 2.6 × 10−8±5.7 × 10−8% (i.e. close to the exact solutions) when including modified-Xfem method into our direct elasticity reconstruction method. PMID:24240392

Practical Solutions for Pesticide Safety: A Farm and Research Team Participatory Model

PubMed Central

Galvin, Kit; Krenz, Jen; Harrington, Marcy; Palmández, Pablo; Fenske, Richard A.

2018-01-01

Development of the Practical Solutions for Pesticide Safety guide used participatory research strategies to identify and evaluate solutions that reduce pesticide exposures for workers and their families and to disseminate these solutions. Project principles were (1) workplace chemicals belong in the workplace, and (2) pesticide handlers and farm managers are experts, with direct knowledge of production practices. The project’s participatory methods were grounded in self-determination theory. Practical solutions were identified and evaluated based on five criteria: practicality, adaptability, health and safety, novelty, and regulatory compliance. Research activities that had more personal contact provided better outcomes. The Expert Working Group, composed of farm managers and pesticide handlers, was key to the identification of solutions, as were farm site visits. Audience participation, hands-on testing, and orchard field trials were particularly effective in the evaluation of potential solutions. Small work groups in a Regional Advisory Committee provided the best direction and guidance for a “user-friendly” translational document that provided evidence-based practical solutions. The “farmer to farmer” format of the guide was endorsed by both the Expert Working Group and the Regional Advisory Committee. Managers and pesticide handlers wanted to share their solutions in order to “help others stay safe,” and they appreciated attribution in the guide. The guide is now being used in educational programs across the region. The fundamental concept that farmers and farmworkers are innovators and experts in agricultural production was affirmed by this study. The success of this process demonstrates the value of participatory industrial hygiene in agriculture. PMID:26488540

Practical Solutions for Pesticide Safety: A Farm and Research Team Participatory Model.

PubMed

Galvin, Kit; Krenz, Jen; Harrington, Marcy; Palmández, Pablo; Fenske, Richard A

2016-01-01

Development of the Practical Solutions for Pesticide Safety guide used participatory research strategies to identify and evaluate solutions that reduce pesticide exposures for workers and their families and to disseminate these solutions. Project principles were (1) workplace chemicals belong in the workplace, and (2) pesticide handlers and farm managers are experts, with direct knowledge of production practices. The project's participatory methods were grounded in self-determination theory. Practical solutions were identified and evaluated based on five criteria: practicality, adaptability, health and safety, novelty, and regulatory compliance. Research activities that had more personal contact provided better outcomes. The Expert Working Group, composed of farm managers and pesticide handlers, was key to the identification of solutions, as were farm site visits. Audience participation, hands-on testing, and orchard field trials were particularly effective in the evaluation of potential solutions. Small work groups in a Regional Advisory Committee provided the best direction and guidance for a "user-friendly" translational document that provided evidence-based practical solutions. The "farmer to farmer" format of the guide was endorsed by both the Expert Working Group and the Regional Advisory Committee. Managers and pesticide handlers wanted to share their solutions in order to "help others stay safe," and they appreciated attribution in the guide. The guide is now being used in educational programs across the region. The fundamental concept that farmers and farmworkers are innovators and experts in agricultural production was affirmed by this study. The success of this process demonstrates the value of participatory industrial hygiene in agriculture.

Direct Identification and Antimicrobial Susceptibility Testing of Bacteria From Positive Blood Culture Bottles by Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry and the Vitek 2 System.

PubMed

Jo, Sung Jin; Park, Kang Gyun; Han, Kyungja; Park, Dong Jin; Park, Yeon-Joon

2016-03-01

We evaluated the reliability and accuracy of the combined use of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) bacterial identification and Vitek 2 antimicrobial susceptibility testing (AST) for bacteria from positive blood culture bottles. Direct identification and AST were performed in parallel to the standard methods in monomicrobial positive blood culture bottles. In total, 254 isolates grown on aerobic and/or anaerobic bottles were identified with MALDI-TOF Vitek MS (bioMérieux, France), and 1,978 microorganism/antimicrobial agent combinations were assessed. For isolates from anaerobic bottles, an aliquot of the culture broth was centrifuged, washed, and filtered through a nylon mesh. For isolates from aerobic/pediatric bottles, a lysis step using 9.26% ammonium chloride solution and 2% saponin solution was included. The overall correct identification rate was 81.8% (208/254) and that for gram-positive/gram-negative isolates was 73.9%/92.6%, respectively, and it was 81.8%, 87.6%, and 57.9% for isolates from aerobic, anaerobic, and pediatric bottles, respectively. Identification was not possible in 45 cases, and most of these isolates were streptococci (N=14) and coagulase-negative staphylococci (N=11). Misidentification occurred only in one case. Compared with standard methods, direct AST showed 97.9% (1,936/1,978) agreement with very major error of 0.25%, major error of 0.05%, and minor error of 1.8%. This simple and cost-effective sample preparation method gives reliable results for the direct identification and AST of bacteria. For the identification of streptococci and coagulase-negative staphylococci, the method should be further improved.

Application of matched asymptotic expansions to lunar and interplanetary trajectories. Volume 1: Technical discussion

NASA Technical Reports Server (NTRS)

Lancaster, J. E.

1973-01-01

Previously published asymptotic solutions for lunar and interplanetary trajectories have been modified and combined to formulate a general analytical solution to the problem on N-bodies. The earlier first-order solutions, derived by the method of matched asymptotic expansions, have been extended to second order for the purpose of obtaining increased accuracy. The derivation of the second-order solution is summarized by showing the essential steps, some in functional form. The general asymptotic solution has been used as a basis for formulating a number of analytical two-point boundary value solutions. These include earth-to-moon, one- and two-impulse moon-to-earth, and interplanetary solutions. The results show that the accuracies of the asymptotic solutions range from an order of magnitude better than conic approximations to that of numerical integration itself. Also, since no iterations are required, the asymptotic boundary value solutions are obtained in a fraction of the time required for comparable numerically integrated solutions. The subject of minimizing the second-order error is discussed, and recommendations made for further work directed toward achieving a uniform accuracy in all applications.

Fast online inverse scattering with Reduced Basis Method (RBM) for a 3D phase grating with specific line roughness

NASA Astrophysics Data System (ADS)

Kleemann, Bernd H.; Kurz, Julian; Hetzler, Jochen; Pomplun, Jan; Burger, Sven; Zschiedrich, Lin; Schmidt, Frank

2011-05-01

Finite element methods (FEM) for the rigorous electromagnetic solution of Maxwell's equations are known to be very accurate. They possess a high convergence rate for the determination of near field and far field quantities of scattering and diffraction processes of light with structures having feature sizes in the range of the light wavelength. We are using FEM software for 3D scatterometric diffraction calculations allowing the application of a brilliant and extremely fast solution method: the reduced basis method (RBM). The RBM constructs a reduced model of the scattering problem from precalculated snapshot solutions, guided self-adaptively by an error estimator. Using RBM, we achieve an efficiency accuracy of about 10-4 compared to the direct problem with only 35 precalculated snapshots being the reduced basis dimension. This speeds up the calculation of diffraction amplitudes by a factor of about 1000 compared to the conventional solution of Maxwell's equations by FEM. This allows us to reconstruct the three geometrical parameters of our phase grating from "measured" scattering data in a 3D parameter manifold online in a minute having the full FEM accuracy available. Additionally, also a sensitivity analysis or the choice of robust measuring strategies, for example, can be done online in a few minutes.

A Stabilized Finite Element Method for Modified Poisson-Nernst-Planck Equations to Determine Ion Flow Through a Nanopore

PubMed Central

Chaudhry, Jehanzeb Hameed; Comer, Jeffrey; Aksimentiev, Aleksei; Olson, Luke N.

2013-01-01

The conventional Poisson-Nernst-Planck equations do not account for the finite size of ions explicitly. This leads to solutions featuring unrealistically high ionic concentrations in the regions subject to external potentials, in particular, near highly charged surfaces. A modified form of the Poisson-Nernst-Planck equations accounts for steric effects and results in solutions with finite ion concentrations. Here, we evaluate numerical methods for solving the modified Poisson-Nernst-Planck equations by modeling electric field-driven transport of ions through a nanopore. We describe a novel, robust finite element solver that combines the applications of the Newton's method to the nonlinear Galerkin form of the equations, augmented with stabilization terms to appropriately handle the drift-diffusion processes. To make direct comparison with particle-based simulations possible, our method is specifically designed to produce solutions under periodic boundary conditions and to conserve the number of ions in the solution domain. We test our finite element solver on a set of challenging numerical experiments that include calculations of the ion distribution in a volume confined between two charged plates, calculations of the ionic current though a nanopore subject to an external electric field, and modeling the effect of a DNA molecule on the ion concentration and nanopore current. PMID:24363784

Space structures insulating material's thermophysical and radiation properties estimation

NASA Astrophysics Data System (ADS)

Nenarokomov, A. V.; Alifanov, O. M.; Titov, D. M.

2007-11-01

In many practical situations in aerospace technology it is impossible to measure directly such properties of analyzed materials (for example, composites) as thermal and radiation characteristics. The only way that can often be used to overcome these difficulties is indirect measurements. This type of measurement is usually formulated as the solution of inverse heat transfer problems. Such problems are ill-posed in mathematical sense and their main feature shows itself in the solution instabilities. That is why special regularizing methods are needed to solve them. The experimental methods of identification of the mathematical models of heat transfer based on solving the inverse problems are one of the modern effective solving manners. The objective of this paper is to estimate thermal and radiation properties of advanced materials using the approach based on inverse methods.

The boundary element method applied to 3D magneto-electro-elastic dynamic problems

NASA Astrophysics Data System (ADS)

Igumnov, L. A.; Markov, I. P.; Kuznetsov, Iu A.

2017-11-01

Due to the coupling properties, the magneto-electro-elastic materials possess a wide number of applications. They exhibit general anisotropic behaviour. Three-dimensional transient analyses of magneto-electro-elastic solids can hardly be found in the literature. 3D direct boundary element formulation based on the weakly-singular boundary integral equations in Laplace domain is presented in this work for solving dynamic linear magneto-electro-elastic problems. Integral expressions of the three-dimensional fundamental solutions are employed. Spatial discretization is based on a collocation method with mixed boundary elements. Convolution quadrature method is used as a numerical inverse Laplace transform scheme to obtain time domain solutions. Numerical examples are provided to illustrate the capability of the proposed approach to treat highly dynamic problems.

Scalable Directed Assembly of Highly Crystalline 2,7-Dioctyl[1]benzothieno[3,2- b][1]benzothiophene (C8-BTBT) Films.

PubMed

Chai, Zhimin; Abbasi, Salman A; Busnaina, Ahmed A

2018-05-30

Assembly of organic semiconductors with ordered crystal structure has been actively pursued for electronics applications such as organic field-effect transistors (OFETs). Among various film deposition methods, solution-based film growth from small molecule semiconductors is preferable because of its low material and energy consumption, low cost, and scalability. Here, we show scalable and controllable directed assembly of highly crystalline 2,7-dioctyl[1]benzothieno[3,2- b][1]benzothiophene (C8-BTBT) films via a dip-coating process. Self-aligned stripe patterns with tunable thickness and morphology over a centimeter scale are obtained by adjusting two governing parameters: the pulling speed of a substrate and the solution concentration. OFETs are fabricated using the C8-BTBT films assembled at various conditions. A field-effect hole mobility up to 3.99 cm 2 V -1 s -1 is obtained. Owing to the highly scalable crystalline film formation, the dip-coating directed assembly process could be a great candidate for manufacturing next-generation electronics. Meanwhile, the film formation mechanism discussed in this paper could provide a general guideline to prepare other organic semiconducting films from small molecule solutions.

Shape sensing using multi-core fiber optic cable and parametric curve solutions.

PubMed

Moore, Jason P; Rogge, Matthew D

2012-01-30

The shape of a multi-core optical fiber is calculated by numerically solving a set of Frenet-Serret equations describing the path of the fiber in three dimensions. Included in the Frenet-Serret equations are curvature and bending direction functions derived from distributed fiber Bragg grating strain measurements in each core. The method offers advantages over prior art in that it determines complex three-dimensional fiber shape as a continuous parametric solution rather than an integrated series of discrete planar bends. Results and error analysis of the method using a tri-core optical fiber is presented. Maximum error expressed as a percentage of fiber length was found to be 7.2%.

A users guide for A344: A program using a finite difference method to analyze transonic flow over oscillating airfoils

NASA Technical Reports Server (NTRS)

Weatherill, W. H.; Ehlers, F. E.

1979-01-01

The design and usage of a pilot program for calculating the pressure distributions over harmonically oscillating airfoils in transonic flow are described. The procedure used is based on separating the velocity potential into steady and unsteady parts and linearizing the resulting unsteady differential equations for small disturbances. The steady velocity potential which must be obtained from some other program, was required for input. The unsteady equation, as solved, is linear with spatially varying coefficients. Since sinusoidal motion was assumed, time was not a variable. The numerical solution was obtained through a finite difference formulation and either a line relaxation or an out of core direct solution method.

Simplified 2,4-dinitrophenylhydrazine spectrophotometric assay for quantification of carbonyls in oxidized proteins.

PubMed

Mesquita, Cristina S; Oliveira, Raquel; Bento, Fátima; Geraldo, Dulce; Rodrigues, João V; Marcos, João C

2014-08-01

This work proposes a modification of the 2,4-dinitrophenylhydrazine (DNPH) spectrophotometric assay commonly used to evaluate the concentration of carbonyl groups in oxidized proteins. In this approach NaOH is added to the protein solution after the addition of DNPH, shifting the maximum absorbance wavelength of the derivatized protein from 370 to 450nm. This reduces the interference of DNPH and allows the direct quantification in the sample solution without the need for the precipitation, washing, and resuspension steps that are carried out in the traditional DNPH method. The two methods were compared under various conditions and are statistically equivalent. Copyright © 2014 Elsevier Inc. All rights reserved.

New distributed activation energy model: numerical solution and application to pyrolysis kinetics of some types of biomass.

PubMed

Cai, Junmeng; Liu, Ronghou

2008-05-01

In the present paper, a new distributed activation energy model has been developed, considering the reaction order and the dependence of frequency factor on temperature. The proposed DAEM cannot be solved directly in a closed from, thus a method was used to obtain the numerical solution of the new DAEM equation. Two numerical examples to illustrate the proposed method were presented. The traditional DAEM and new DAEM have been used to simulate the pyrolytic process of some types of biomass. The new DAEM fitted the experimental data much better than the traditional DAEM as the dependence of the frequency factor on temperature was taken into account.

Efficient spectral-Galerkin algorithms for direct solution for second-order differential equations using Jacobi polynomials

NASA Astrophysics Data System (ADS)

Doha, E.; Bhrawy, A.

2006-06-01

It is well known that spectral methods (tau, Galerkin, collocation) have a condition number of ( is the number of retained modes of polynomial approximations). This paper presents some efficient spectral algorithms, which have a condition number of , based on the Jacobi?Galerkin methods of second-order elliptic equations in one and two space variables. The key to the efficiency of these algorithms is to construct appropriate base functions, which lead to systems with specially structured matrices that can be efficiently inverted. The complexities of the algorithms are a small multiple of operations for a -dimensional domain with unknowns, while the convergence rates of the algorithms are exponentials with smooth solutions.

Industrially Feasible Approach to Transparent, Flexible, and Conductive Carbon Nanotube Films: Cellulose-Assisted Film Deposition Followed by Solution and Photonic Processing

NASA Astrophysics Data System (ADS)

Kim, Yeji; Chikamatsu, Masayuki; Azumi, Reiko; Saito, Takeshi; Minami, Nobutsugu

2013-02-01

We report that single-walled nanotube (SWNT) films with precisely controlled thicknesses and transmittances can be produced through the doctor-blade method using SWNT-polymer inks. The matrix polymer around SWNTs were successfully removed by either solution curing or photonic curing at room temperature, which are advantageous processes enabling direct film formation on plastic substrates. Sheet resistances as low as 68-240 Ω/sq at T=89-98% were obtained. Furthermore, the SWNT film on poly(ethylene naphthalate) exhibited superior flexibility and stability in a flexure endurance test. The method may open a wide range of opportunities for flexible electrical devices.

Atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometry of friction modifier additives analyzed directly from base oil solutions.

PubMed

Widder, Lukas; Brennerb, Josef; Huttera, Herbert

2014-01-01

To develop new products and to apply measures of quality control quick and simple accessibility of additive composition in automo- tive lubrication is important. The aim of this study was to investigate the possibility of analyzing organic friction modifier additives by means of atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometry [AP-MALDI-MS] from lubricant solu- tions without the use of additional separation techniques. Analyses of selected friction modifier ethoxylated tallow amines and oleic acid amide were compared using two ionization methods, positive-ion electrospray ionization (ESI) and AP-MALDI, using a LTQ Orbitrap mass spectrometer. Pure additives were characterized from solvent solutions, as well as from synthetic and mineral base oil mixtures. Detected ions of pure additive samples consisted mainly of [M + H]+, but also alkaLi metal adducts [M + Na]+ and [M + K]+ could be seen. Characterizations of blends of both friction modifiers from the base oil mixtures were carried out as well and showed significant inten- sities for several additive peaks. Thus, this work shows a method to directly analyze friction modifier additives used in the automotive industry from an oil blend via the use of AP-MALDI without any further separation steps. The method presented will further simplify the acquisition of data on lubricant composition and additives. Furthermore, it allows the perspective of analyzing additive reaction products directly from formulated oil blends.

Numerical Technology for Large-Scale Computational Electromagnetics

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

Sharpe, R; Champagne, N; White, D

The key bottleneck of implicit computational electromagnetics tools for large complex geometries is the solution of the resulting linear system of equations. The goal of this effort was to research and develop critical numerical technology that alleviates this bottleneck for large-scale computational electromagnetics (CEM). The mathematical operators and numerical formulations used in this arena of CEM yield linear equations that are complex valued, unstructured, and indefinite. Also, simultaneously applying multiple mathematical modeling formulations to different portions of a complex problem (hybrid formulations) results in a mixed structure linear system, further increasing the computational difficulty. Typically, these hybrid linear systems aremore » solved using a direct solution method, which was acceptable for Cray-class machines but does not scale adequately for ASCI-class machines. Additionally, LLNL's previously existing linear solvers were not well suited for the linear systems that are created by hybrid implicit CEM codes. Hence, a new approach was required to make effective use of ASCI-class computing platforms and to enable the next generation design capabilities. Multiple approaches were investigated, including the latest sparse-direct methods developed by our ASCI collaborators. In addition, approaches that combine domain decomposition (or matrix partitioning) with general-purpose iterative methods and special purpose pre-conditioners were investigated. Special-purpose pre-conditioners that take advantage of the structure of the matrix were adapted and developed based on intimate knowledge of the matrix properties. Finally, new operator formulations were developed that radically improve the conditioning of the resulting linear systems thus greatly reducing solution time. The goal was to enable the solution of CEM problems that are 10 to 100 times larger than our previous capability.« less

Precision Antenna Measurement System (PAMS) Engineering Services

DTIC Science & Technology

1978-04-01

8217) = receiving antenna gain for vertical polarization. The total direct signal power is Following Beck /narn and Spizzachino , the specular component...method may be valid for the problem. Very often, however, the physical optics 92 approach baaed on a solution of the wave equation will have to

Solving Differential Equations Using Modified Picard Iteration

ERIC Educational Resources Information Center

Robin, W. A.

2010-01-01

Many classes of differential equations are shown to be open to solution through a method involving a combination of a direct integration approach with suitably modified Picard iterative procedures. The classes of differential equations considered include typical initial value, boundary value and eigenvalue problems arising in physics and…

Universal single level implicit algorithm for gasdynamics

NASA Technical Reports Server (NTRS)

Lombard, C. K.; Venkatapthy, E.

1984-01-01

A single level effectively explicit implicit algorithm for gasdynamics is presented. The method meets all the requirements for unconditionally stable global iteration over flows with mixed supersonic and supersonic zones including blunt body flow and boundary layer flows with strong interaction and streamwise separation. For hyperbolic (supersonic flow) regions the method is automatically equivalent to contemporary space marching methods. For elliptic (subsonic flow) regions, rapid convergence is facilitated by alternating direction solution sweeps which bring both sets of eigenvectors and the influence of both boundaries of a coordinate line equally into play. Point by point updating of the data with local iteration on the solution procedure at each spatial step as the sweeps progress not only renders the method single level in storage but, also, improves nonlinear accuracy to accelerate convergence by an order of magnitude over related two level linearized implicit methods. The method derives robust stability from the combination of an eigenvector split upwind difference method (CSCM) with diagonally dominant ADI(DDADI) approximate factorization and computed characteristic boundary approximations.

Strong stabilization servo controller with optimization of performance criteria.

PubMed

Sarjaš, Andrej; Svečko, Rajko; Chowdhury, Amor

2011-07-01

Synthesis of a simple robust controller with a pole placement technique and a H(∞) metrics is the method used for control of a servo mechanism with BLDC and BDC electric motors. The method includes solving a polynomial equation on the basis of the chosen characteristic polynomial using the Manabe standard polynomial form and parametric solutions. Parametric solutions are introduced directly into the structure of the servo controller. On the basis of the chosen parametric solutions the robustness of a closed-loop system is assessed through uncertainty models and assessment of the norm ‖•‖(∞). The design procedure and the optimization are performed with a genetic algorithm differential evolution - DE. The DE optimization method determines a suboptimal solution throughout the optimization on the basis of a spectrally square polynomial and Šiljak's absolute stability test. The stability of the designed controller during the optimization is being checked with Lipatov's stability condition. Both utilized approaches: Šiljak's test and Lipatov's condition, check the robustness and stability characteristics on the basis of the polynomial's coefficients, and are very convenient for automated design of closed-loop control and for application in optimization algorithms such as DE. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

High-Resolution Genuinely Multidimensional Solution of Conservation Laws by the Space-Time Conservation Element and Solution Element Method

NASA Technical Reports Server (NTRS)

Himansu, Ananda; Chang, Sin-Chung; Yu, Sheng-Tao; Wang, Xiao-Yen; Loh, Ching-Yuen; Jorgenson, Philip C. E.

1999-01-01

In this overview paper, we review the basic principles of the method of space-time conservation element and solution element for solving the conservation laws in one and two spatial dimensions. The present method is developed on the basis of local and global flux conservation in a space-time domain, in which space and time are treated in a unified manner. In contrast to the modern upwind schemes, the approach here does not use the Riemann solver and the reconstruction procedure as the building blocks. The drawbacks of the upwind approach, such as the difficulty of rationally extending the 1D scalar approach to systems of equations and particularly to multiple dimensions is here contrasted with the uniformity and ease of generalization of the Conservation Element and Solution Element (CE/SE) 1D scalar schemes to systems of equations and to multiple spatial dimensions. The assured compatibility with the simplest type of unstructured meshes, and the uniquely simple nonreflecting boundary conditions of the present method are also discussed. The present approach has yielded high-resolution shocks, rarefaction waves, acoustic waves, vortices, ZND detonation waves, and shock/acoustic waves/vortices interactions. Moreover, since no directional splitting is employed, numerical resolution of two-dimensional calculations is comparable to that of the one-dimensional calculations. Some sample applications displaying the strengths and broad applicability of the CE/SE method are reviewed.

Direct handling of equality constraints in multilevel optimization

NASA Technical Reports Server (NTRS)

Renaud, John E.; Gabriele, Gary A.

1990-01-01

In recent years there have been several hierarchic multilevel optimization algorithms proposed and implemented in design studies. Equality constraints are often imposed between levels in these multilevel optimizations to maintain system and subsystem variable continuity. Equality constraints of this nature will be referred to as coupling equality constraints. In many implementation studies these coupling equality constraints have been handled indirectly. This indirect handling has been accomplished using the coupling equality constraints' explicit functional relations to eliminate design variables (generally at the subsystem level), with the resulting optimization taking place in a reduced design space. In one multilevel optimization study where the coupling equality constraints were handled directly, the researchers encountered numerical difficulties which prevented their multilevel optimization from reaching the same minimum found in conventional single level solutions. The researchers did not explain the exact nature of the numerical difficulties other than to associate them with the direct handling of the coupling equality constraints. The coupling equality constraints are handled directly, by employing the Generalized Reduced Gradient (GRG) method as the optimizer within a multilevel linear decomposition scheme based on the Sobieski hierarchic algorithm. Two engineering design examples are solved using this approach. The results show that the direct handling of coupling equality constraints in a multilevel optimization does not introduce any problems when the GRG method is employed as the internal optimizer. The optimums achieved are comparable to those achieved in single level solutions and in multilevel studies where the equality constraints have been handled indirectly.

Dynamics of elastic nonlinear rotating composite beams with embedded actuators

NASA Astrophysics Data System (ADS)

Ghorashi, Mehrdaad

2009-08-01

A comprehensive study of the nonlinear dynamics of composite beams is presented. The study consists of static and dynamic solutions with and without active elements. The static solution provides the initial conditions for the dynamic analysis. The dynamic problems considered include the analyses of clamped (hingeless) and articulated (hinged) accelerating rotating beams. Numerical solutions for the steady state and transient responses have been obtained. It is shown that the transient solution of the nonlinear formulation of accelerating rotating beam converges to the steady state solution obtained by the shooting method. The effect of perturbing the steady state solution has also been calculated and the results are shown to be compatible with those of the accelerating beam analysis. Next, the coupled flap-lag rigid body dynamics of a rotating articulated beam with hinge offset and subjected to aerodynamic forces is formulated. The solution to this rigid-body problem is then used, together with the finite difference method, in order to produce the nonlinear elasto-dynamic solution of an accelerating articulated beam. Next, the static and dynamic responses of nonlinear composite beams with embedded Anisotropic Piezo-composite Actuators (APA) are presented. The effect of activating actuators at various directions on the steady state force and moments generated in a rotating composite beam has been presented. With similar results for the transient response, this analysis can be used in controlling the response of adaptive rotating beams.

A compatible high-order meshless method for the Stokes equations with applications to suspension flows

NASA Astrophysics Data System (ADS)

Trask, Nathaniel; Maxey, Martin; Hu, Xiaozhe

2018-02-01

A stable numerical solution of the steady Stokes problem requires compatibility between the choice of velocity and pressure approximation that has traditionally proven problematic for meshless methods. In this work, we present a discretization that couples a staggered scheme for pressure approximation with a divergence-free velocity reconstruction to obtain an adaptive, high-order, finite difference-like discretization that can be efficiently solved with conventional algebraic multigrid techniques. We use analytic benchmarks to demonstrate equal-order convergence for both velocity and pressure when solving problems with curvilinear geometries. In order to study problems in dense suspensions, we couple the solution for the flow to the equations of motion for freely suspended particles in an implicit monolithic scheme. The combination of high-order accuracy with fully-implicit schemes allows the accurate resolution of stiff lubrication forces directly from the solution of the Stokes problem without the need to introduce sub-grid lubrication models.

The Space-Time Conservative Schemes for Large-Scale, Time-Accurate Flow Simulations with Tetrahedral Meshes

NASA Technical Reports Server (NTRS)

Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung

2016-01-01

Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.

Calculation of flow about two-dimensional bodies by means of the velocity-vorticity formulation on a staggered grid

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1991-01-01

A method for calculating the incompressible viscous flow about two-dimensional bodies, utilizing the velocity-vorticity form of the Navier-Stokes equations using a staggered-grid formulation is presented. The solution is obtained by employing an alternative-direction implicit method for the solution of the block tridiagonal matrix resulting from the finite-difference representation of the governing equations. The boundary vorticity and the conservation of mass are calculated implicitly as a part of the solution. The mass conservation is calculated to machine zero for the duration of the computation. Calculations for the flow about a circular cylinder, a 2-pct thick flat plate at 90-deg incidence, an elliptic cylinder at 45-deg incidence, and a NACA 0012, with and without a deflected flap, at - 90-deg incidence are performed and compared with the results of other numerical investigations.

Analytic theory of orbit contraction

NASA Technical Reports Server (NTRS)

Vinh, N. X.; Longuski, J. M.; Busemann, A.; Culp, R. D.

1977-01-01

The motion of a satellite in orbit, subject to atmospheric force and the motion of a reentry vehicle are governed by gravitational and aerodynamic forces. This suggests the derivation of a uniform set of equations applicable to both cases. For the case of satellite motion, by a proper transformation and by the method of averaging, a technique appropriate for long duration flight, the classical nonlinear differential equation describing the contraction of the major axis is derived. A rigorous analytic solution is used to integrate this equation with a high degree of accuracy, using Poincare's method of small parameters and Lagrange's expansion to explicitly express the major axis as a function of the eccentricity. The solution is uniformly valid for moderate and small eccentricities. For highly eccentric orbits, the asymptotic equation is derived directly from the general equation. Numerical solutions were generated to display the accuracy of the analytic theory.

An algorithm for analytical solution of basic problems featuring elastostatic bodies with cavities and surface flaws

NASA Astrophysics Data System (ADS)

Penkov, V. B.; Levina, L. V.; Novikova, O. S.; Shulmin, A. S.

2018-03-01

Herein we propose a methodology for structuring a full parametric analytical solution to problems featuring elastostatic media based on state-of-the-art computing facilities that support computerized algebra. The methodology includes: direct and reverse application of P-Theorem; methods of accounting for physical properties of media; accounting for variable geometrical parameters of bodies, parameters of boundary states, independent parameters of volume forces, and remote stress factors. An efficient tool to address the task is the sustainable method of boundary states originally designed for the purposes of computerized algebra and based on the isomorphism of Hilbertian spaces of internal states and boundary states of bodies. We performed full parametric solutions of basic problems featuring a ball with a nonconcentric spherical cavity, a ball with a near-surface flaw, and an unlimited medium with two spherical cavities.

Combined electrophoresis-electrospray interface and method

DOEpatents

Smith, Richard D. [Richland, WA; Udseth, Harold R. [Richland, WA; Olivares, Jose A. [Los Alamos, NM

1994-10-18

A system and method for analyzing molecular constituents of a composition sample includes: forming a solution of the sample, separating the solution by capillary electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5-100 KVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g., .+-.2-8 KVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit, or by conduction through a sheath electrode discharged in an annular sheath flow about the capillary exit.

Combined electrophoresis-electrospray interface and method

DOEpatents

Smith, R.D.; Udseth, H.R.; Olivares, J.A.

1994-10-18

A system and method for analyzing molecular constituents of a composition sample include: forming a solution of the sample, separating the solution by capillary electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5--100 kVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g.,{+-}2--8 kVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit, or by conduction through a sheath electrode discharged in an annular sheath flow about the capillary exit. 21 figs.

Combined electrophoresis-electrospray interface and method

DOEpatents

Smith, R.P.; Udseth, H.R.; Olivares, J.A.

1989-12-05

A system and method for analyzing molecular constituents of a composition sample includes: forming a solution of the sample, separating the solution by capillary electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5--100 kVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g., [+-]2--8 kVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit, or by conduction through a sheath electrode discharged in an annular sheath flow about the capillary exit. 21 figs.

Combined electrophoresis-electrospray interface and method

DOEpatents

Smith, Richard P.; Udseth, Harold R.; Olivares, Jose A.

1989-01-01

A system and method for analyzing molecular constituents of a composition sample includes: forming a solution of the sample, separating the solution by capillary electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5-100 KVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g., .+-.2-8 KVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit, or by conduction through a sheath electrode discharged in an annular sheath flow about the capillary exit.

A Study of Penalty Function Methods for Constraint Handling with Genetic Algorithm

NASA Technical Reports Server (NTRS)

Ortiz, Francisco

2004-01-01

COMETBOARDS (Comparative Evaluation Testbed of Optimization and Analysis Routines for Design of Structures) is a design optimization test bed that can evaluate the performance of several different optimization algorithms. A few of these optimization algorithms are the sequence of unconstrained minimization techniques (SUMT), sequential linear programming (SLP) and the sequential quadratic programming techniques (SQP). A genetic algorithm (GA) is a search technique that is based on the principles of natural selection or "survival of the fittest". Instead of using gradient information, the GA uses the objective function directly in the search. The GA searches the solution space by maintaining a population of potential solutions. Then, using evolving operations such as recombination, mutation and selection, the GA creates successive generations of solutions that will evolve and take on the positive characteristics of their parents and thus gradually approach optimal or near-optimal solutions. By using the objective function directly in the search, genetic algorithms can be effectively applied in non-convex, highly nonlinear, complex problems. The genetic algorithm is not guaranteed to find the global optimum, but it is less likely to get trapped at a local optimum than traditional gradient-based search methods when the objective function is not smooth and generally well behaved. The purpose of this research is to assist in the integration of genetic algorithm (GA) into COMETBOARDS. COMETBOARDS cast the design of structures as a constrained nonlinear optimization problem. One method used to solve constrained optimization problem with a GA to convert the constrained optimization problem into an unconstrained optimization problem by developing a penalty function that penalizes infeasible solutions. There have been several suggested penalty function in the literature each with there own strengths and weaknesses. A statistical analysis of some suggested penalty functions is performed in this study. Also, a response surface approach to robust design is used to develop a new penalty function approach. This new penalty function approach is then compared with the other existing penalty functions.

Characterization of a Method for Inverse Heat Conduction Using Real and Simulated Thermocouple Data

NASA Technical Reports Server (NTRS)

Pizzo, Michelle E.; Glass, David E.

2017-01-01

It is often impractical to instrument the external surface of high-speed vehicles due to the aerothermodynamic heating. Temperatures can instead be measured internal to the structure using embedded thermocouples, and direct and inverse methods can then be used to estimate temperature and heat flux on the external surface. Two thermocouples embedded at different depths are required to solve direct and inverse problems, and filtering schemes are used to reduce noise in the measured data. Accuracy in the estimated surface temperature and heat flux is dependent on several factors. Factors include the thermocouple location through the thickness of a material, the sensitivity of the surface solution to the error in the specified location of the embedded thermocouples, and the sensitivity to the error in thermocouple data. The effect of these factors on solution accuracy is studied using the methodology discussed in the work of Pizzo, et. al.1 A numerical study is performed to determine if there is an optimal depth at which to embed one thermocouple through the thickness of a material assuming that a second thermocouple is installed on the back face. Solution accuracy will be discussed for a range of embedded thermocouple depths. Moreover, the sensitivity of the surface solution to (a) the error in the specified location of the embedded thermocouple and to (b) the error in the thermocouple data are quantified using numerical simulation, and the results are discussed.

Roll to Roll Electric Field "Z" Alignment of Nanoparticles from Polymer Solutions for Manufacturing Multifunctional Capacitor Films.

PubMed

Guo, Yuanhao; Batra, Saurabh; Chen, Yuwei; Wang, Enmin; Cakmak, Miko

2016-07-20

A roll to roll continuous processing method is developed for vertical alignment ("Z" alignment) of barium titanate (BaTiO3) nanoparticle columns in polystyrene (PS)/toluene solutions. This is accomplished by applying an electric field to a two-layer solution film cast on a carrier: one is the top sacrificial layer contacting the electrode and the second is the polymer solution dispersed with BaTiO3 particles. Flexible Teflon coated mesh is utilized as the top electrode that allows the evaporation of solvent through the openings. The kinetics of particle alignment and chain buckling is studied by the custom-built instrument measuring the real time optical light transmission during electric field application and drying steps. The nanoparticles dispersed in the composite bottom layer form chains due to dipole-dipole interaction under an applied electric field. In relatively weak electric fields, the particle chain axis tilts away from electric field direction due to bending caused by the shrinkage of the film during drying. The use of strong electric fields leads to maintenance of alignment of particle chains parallel to the electric field direction overcoming the compression effect. At the end of the process, the surface features of the top porous electrodes are imprinted at the top of the top sacrificial layer. By removing this layer a smooth surface film is obtained. The nanocomposite films with "Z" direction alignment of BaTiO3 particles show substantially increased dielectric permittivity in the thickness direction for enhancing the performance of capacitors.

A novel method for correcting scanline-observational bias of discontinuity orientation

PubMed Central

Huang, Lei; Tang, Huiming; Tan, Qinwen; Wang, Dingjian; Wang, Liangqing; Ez Eldin, Mutasim A. M.; Li, Changdong; Wu, Qiong

2016-01-01

Scanline observation is known to introduce an angular bias into the probability distribution of orientation in three-dimensional space. In this paper, numerical solutions expressing the functional relationship between the scanline-observational distribution (in one-dimensional space) and the inherent distribution (in three-dimensional space) are derived using probability theory and calculus under the independence hypothesis of dip direction and dip angle. Based on these solutions, a novel method for obtaining the inherent distribution (also for correcting the bias) is proposed, an approach which includes two procedures: 1) Correcting the cumulative probabilities of orientation according to the solutions, and 2) Determining the distribution of the corrected orientations using approximation methods such as the one-sample Kolmogorov-Smirnov test. The inherent distribution corrected by the proposed method can be used for discrete fracture network (DFN) modelling, which is applied to such areas as rockmass stability evaluation, rockmass permeability analysis, rockmass quality calculation and other related fields. To maximize the correction capacity of the proposed method, the observed sample size is suggested through effectiveness tests for different distribution types, dispersions and sample sizes. The performance of the proposed method and the comparison of its correction capacity with existing methods are illustrated with two case studies. PMID:26961249

Constrained Total Generalized p-Variation Minimization for Few-View X-Ray Computed Tomography Image Reconstruction.

PubMed

Zhang, Hanming; Wang, Linyuan; Yan, Bin; Li, Lei; Cai, Ailong; Hu, Guoen

2016-01-01

Total generalized variation (TGV)-based computed tomography (CT) image reconstruction, which utilizes high-order image derivatives, is superior to total variation-based methods in terms of the preservation of edge information and the suppression of unfavorable staircase effects. However, conventional TGV regularization employs l1-based form, which is not the most direct method for maximizing sparsity prior. In this study, we propose a total generalized p-variation (TGpV) regularization model to improve the sparsity exploitation of TGV and offer efficient solutions to few-view CT image reconstruction problems. To solve the nonconvex optimization problem of the TGpV minimization model, we then present an efficient iterative algorithm based on the alternating minimization of augmented Lagrangian function. All of the resulting subproblems decoupled by variable splitting admit explicit solutions by applying alternating minimization method and generalized p-shrinkage mapping. In addition, approximate solutions that can be easily performed and quickly calculated through fast Fourier transform are derived using the proximal point method to reduce the cost of inner subproblems. The accuracy and efficiency of the simulated and real data are qualitatively and quantitatively evaluated to validate the efficiency and feasibility of the proposed method. Overall, the proposed method exhibits reasonable performance and outperforms the original TGV-based method when applied to few-view problems.

Direct-current arc and alternating-current spark emission spectrographic field methods for the semiquantitative analysis of geologic materials

USGS Publications Warehouse

Grimes, D.J.; Marranzino, A.P.

1968-01-01

Two spectrographic methods are used in mobile field laboratories of the U. S. Geological Survey. In the direct-current arc method, the ground sample is mixed with graphite powder, packed into an electrode crater, and burned to completion. Thirty elements are determined. In the spark method, the sample, ground to pass a 150-mesh screen, is digested in hydrofluoric acid followed by evaporation to dryness and dissolution in aqua regia. The solution is fed into the spark gap by means of a rotating-disk electrode arrangement and is excited with an alternating-current spark discharge. Fourteen elements are determined. In both techniques, light is recorded on Spectrum Analysis No. 1, 35-millimeter film, and the spectra are compared visually with those of standard films.