Closed-form solutions for a class of optimal quadratic regulator problems with terminal constraints

NASA Technical Reports Server (NTRS)

Juang, J.-N.; Turner, J. D.; Chun, H. M.

1984-01-01

Closed-form solutions are derived for coupled Riccati-like matrix differential equations describing the solution of a class of optimal finite time quadratic regulator problems with terminal constraints. Analytical solutions are obtained for the feedback gains and the closed-loop response trajectory. A computational procedure is presented which introduces new variables for efficient computation of the terminal control law. Two examples are given to illustrate the validity and usefulness of the theory.

Global Search Capabilities of Indirect Methods for Impulsive Transfers

NASA Astrophysics Data System (ADS)

Shen, Hong-Xin; Casalino, Lorenzo; Luo, Ya-Zhong

2015-09-01

An optimization method which combines an indirect method with homotopic approach is proposed and applied to impulsive trajectories. Minimum-fuel, multiple-impulse solutions, with either fixed or open time are obtained. The homotopic approach at hand is relatively straightforward to implement and does not require an initial guess of adjoints, unlike previous adjoints estimation methods. A multiple-revolution Lambert solver is used to find multiple starting solutions for the homotopic procedure; this approach can guarantee to obtain multiple local solutions without relying on the user's intuition, thus efficiently exploring the solution space to find the global optimum. The indirect/homotopic approach proves to be quite effective and efficient in finding optimal solutions, and outperforms the joint use of evolutionary algorithms and deterministic methods in the test cases.

Optimization of Artificial Propagation in Piracanjuba Fish Brycon orbignyanus Using Cryopreserved Semen.

PubMed

Felizardo, V O; Melo, C C V; Murgas, L D S; Andrade, E S; Navarro, R D; Ftreitas, T F

BACKGROUND: Cryopreserved semen could facilitate procedures during the artificial reproduction in fish. Factors affecting cryopreservation efficiency are important to define efficient protocols. This study investigated the application of cryoprotectants on the quality of piracanjuba fish semen, the sperm concentration required for oocyte fertilization and spermatic activation. We evaluated two intracellular cryoprotectant solutions (DMSO and methanol) and two extracellular cryoprotectant solutions (egg yolk and lactose) to cryopreserved piracanjuba semen. Sperm motility rate, motility duration and spermatic alterations were assessed. The protocol for piracanjuba semen cryopreservation can use solutions including either DMSO or methanol as intracellular cryoprotectant and egg yolk or lactose as extracellular cryoprotectants.

Improving the efficiency of branch-and-bound complete-search NMR assignment using the symmetry of molecules and spectra

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

Bernal, Andrés; Patiny, Luc; Castillo, Andrés M.

2015-02-21

Nuclear magnetic resonance (NMR) assignment of small molecules is presented as a typical example of a combinatorial optimization problem in chemical physics. Three strategies that help improve the efficiency of solution search by the branch and bound method are presented: 1. reduction of the size of the solution space by resort to a condensed structure formula, wherein symmetric nuclei are grouped together; 2. partitioning of the solution space based on symmetry, that becomes the basis for an efficient branching procedure; and 3. a criterion of selection of input restrictions that leads to increased gaps between branches and thus faster pruningmore » of non-viable solutions. Although the examples chosen to illustrate this work focus on small-molecule NMR assignment, the results are generic and might help solving other combinatorial optimization problems.« less

Numerical difficulties and computational procedures for thermo-hydro-mechanical coupled problems of saturated porous media

NASA Astrophysics Data System (ADS)

Simoni, L.; Secchi, S.; Schrefler, B. A.

2008-12-01

This paper analyses the numerical difficulties commonly encountered in solving fully coupled numerical models and proposes a numerical strategy apt to overcome them. The proposed procedure is based on space refinement and time adaptivity. The latter, which in mainly studied here, is based on the use of a finite element approach in the space domain and a Discontinuous Galerkin approximation within each time span. Error measures are defined for the jump of the solution at each time station. These constitute the parameters allowing for the time adaptivity. Some care is however, needed for a useful definition of the jump measures. Numerical tests are presented firstly to demonstrate the advantages and shortcomings of the method over the more traditional use of finite differences in time, then to assess the efficiency of the proposed procedure for adapting the time step. The proposed method reveals its efficiency and simplicity to adapt the time step in the solution of coupled field problems.

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.

Solution of quadratic matrix equations for free vibration analysis of structures.

NASA Technical Reports Server (NTRS)

Gupta, K. K.

1973-01-01

An efficient digital computer procedure and the related numerical algorithm are presented herein for the solution of quadratic matrix equations associated with free vibration analysis of structures. Such a procedure enables accurate and economical analysis of natural frequencies and associated modes of discretized structures. The numerically stable algorithm is based on the Sturm sequence method, which fully exploits the banded form of associated stiffness and mass matrices. The related computer program written in FORTRAN V for the JPL UNIVAC 1108 computer proves to be substantially more accurate and economical than other existing procedures of such analysis. Numerical examples are presented for two structures - a cantilever beam and a semicircular arch.

Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems. Task 4: Advanced fan section aerodynamic analysis

NASA Technical Reports Server (NTRS)

Crook, Andrew J.; Delaney, Robert A.

1992-01-01

The purpose of this study is the development of a three-dimensional Euler/Navier-Stokes flow analysis for fan section/engine geometries containing multiple blade rows and multiple spanwise flow splitters. An existing procedure developed by Dr. J. J. Adamczyk and associates and the NASA Lewis Research Center was modified to accept multiple spanwise splitter geometries and simulate engine core conditions. The procedure was also modified to allow coarse parallelization of the solution algorithm. This document is a final report outlining the development and techniques used in the procedure. The numerical solution is based upon a finite volume technique with a four stage Runge-Kutta time marching procedure. Numerical dissipation is used to gain solution stability but is reduced in viscous dominated flow regions. Local time stepping and implicit residual smoothing are used to increase the rate of convergence. Multiple blade row solutions are based upon the average-passage system of equations. The numerical solutions are performed on an H-type grid system, with meshes being generated by the system (TIGG3D) developed earlier under this contract. The grid generation scheme meets the average-passage requirement of maintaining a common axisymmetric mesh for each blade row grid. The analysis was run on several geometry configurations ranging from one to five blade rows and from one to four radial flow splitters. Pure internal flow solutions were obtained as well as solutions with flow about the cowl/nacelle and various engine core flow conditions. The efficiency of the solution procedure was shown to be the same as the original analysis.

Fuel Injector Design Optimization for an Annular Scramjet Geometry

NASA Technical Reports Server (NTRS)

Steffen, Christopher J., Jr.

2003-01-01

A four-parameter, three-level, central composite experiment design has been used to optimize the configuration of an annular scramjet injector geometry using computational fluid dynamics. The computational fluid dynamic solutions played the role of computer experiments, and response surface methodology was used to capture the simulation results for mixing efficiency and total pressure recovery within the scramjet flowpath. An optimization procedure, based upon the response surface results of mixing efficiency, was used to compare the optimal design configuration against the target efficiency value of 92.5%. The results of three different optimization procedures are presented and all point to the need to look outside the current design space for different injector geometries that can meet or exceed the stated mixing efficiency target.

A potentiometric titration method for the crystallization of drug-like organic molecules.

PubMed

Du-Cuny, Lei; Huwyler, Jörg; Fischer, Holger; Kansy, Manfred

2007-09-05

It is generally accepted, that crystalline solids representing a low energy polymorph should be selected for development of oral dosage forms. As a consequence, efficient and robust procedures are needed at an early stage during drug discovery to prepare crystals from drug-like organic molecules. In contrast to the use of supersaturated solutions, we present a potentiometric crystallization procedure where saturated solutions are prepared in a controlled manner by pH-titration. Crystallization is carried out under defined conditions using the sample concentration and experimental pK(a) values as input parameters. Crystals of high quality were obtained for 11 drugs selected to demonstrate the efficiency and applicability of the new method. Technical improvements are suggested to overcome practical limitations and to enhance the possibility of obtaining crystals from molecules in their uncharged form.

An efficient method for solving the steady Euler equations

NASA Technical Reports Server (NTRS)

Liou, M. S.

1986-01-01

An efficient numerical procedure for solving a set of nonlinear partial differential equations is given, specifically for the steady Euler equations. Solutions of the equations were obtained by Newton's linearization procedure, commonly used to solve the roots of nonlinear algebraic equations. In application of the same procedure for solving a set of differential equations we give a theorem showing that a quadratic convergence rate can be achieved. While the domain of quadratic convergence depends on the problems studied and is unknown a priori, we show that firstand second-order derivatives of flux vectors determine whether the condition for quadratic convergence is satisfied. The first derivatives enter as an implicit operator for yielding new iterates and the second derivatives indicates smoothness of the flows considered. Consequently flows involving shocks are expected to require larger number of iterations. First-order upwind discretization in conjunction with the Steger-Warming flux-vector splitting is employed on the implicit operator and a diagonal dominant matrix results. However the explicit operator is represented by first- and seond-order upwind differencings, using both Steger-Warming's and van Leer's splittings. We discuss treatment of boundary conditions and solution procedures for solving the resulting block matrix system. With a set of test problems for one- and two-dimensional flows, we show detailed study as to the efficiency, accuracy, and convergence of the present method.

Recursive Newton-Euler formulation of manipulator dynamics

NASA Technical Reports Server (NTRS)

Nasser, M. G.

1989-01-01

A recursive Newton-Euler procedure is presented for the formulation and solution of manipulator dynamical equations. The procedure includes rotational and translational joints and a topological tree. This model was verified analytically using a planar two-link manipulator. Also, the model was tested numerically against the Walker-Orin model using the Shuttle Remote Manipulator System data. The hinge accelerations obtained from both models were identical. The computational requirements of the model vary linearly with the number of joints. The computational efficiency of this method exceeds that of Walker-Orin methods. This procedure may be viewed as a considerable generalization of Armstrong's method. A six-by-six formulation is adopted which enhances both the computational efficiency and simplicity of the model.

Aerodynamics of Engine-Airframe Interaction

NASA Technical Reports Server (NTRS)

Caughey, D. A.

1986-01-01

The report describes progress in research directed towards the efficient solution of the inviscid Euler and Reynolds-averaged Navier-Stokes equations for transonic flows through engine inlets, and past complete aircraft configurations, with emphasis on the flowfields in the vicinity of engine inlets. The research focusses upon the development of solution-adaptive grid procedures for these problems, and the development of multi-grid algorithms in conjunction with both, implicit and explicit time-stepping schemes for the solution of three-dimensional problems. The work includes further development of mesh systems suitable for inlet and wing-fuselage-inlet geometries using a variational approach. Work during this reporting period concentrated upon two-dimensional problems, and has been in two general areas: (1) the development of solution-adaptive procedures to cluster the grid cells in regions of high (truncation) error;and (2) the development of a multigrid scheme for solution of the two-dimensional Euler equations using a diagonalized alternating direction implicit (ADI) smoothing algorithm.

Pseudo-updated constrained solution algorithm for nonlinear heat conduction

NASA Technical Reports Server (NTRS)

Tovichakchaikul, S.; Padovan, J.

1983-01-01

This paper develops efficiency and stability improvements in the incremental successive substitution (ISS) procedure commonly used to generate the solution to nonlinear heat conduction problems. This is achieved by employing the pseudo-update scheme of Broyden, Fletcher, Goldfarb and Shanno in conjunction with the constrained version of the ISS. The resulting algorithm retains the formulational simplicity associated with ISS schemes while incorporating the enhanced convergence properties of slope driven procedures as well as the stability of constrained approaches. To illustrate the enhanced operating characteristics of the new scheme, the results of several benchmark comparisons are presented.

Efficient robust doubly adaptive regularized regression with applications.

PubMed

Karunamuni, Rohana J; Kong, Linglong; Tu, Wei

2018-01-01

We consider the problem of estimation and variable selection for general linear regression models. Regularized regression procedures have been widely used for variable selection, but most existing methods perform poorly in the presence of outliers. We construct a new penalized procedure that simultaneously attains full efficiency and maximum robustness. Furthermore, the proposed procedure satisfies the oracle properties. The new procedure is designed to achieve sparse and robust solutions by imposing adaptive weights on both the decision loss and the penalty function. The proposed method of estimation and variable selection attains full efficiency when the model is correct and, at the same time, achieves maximum robustness when outliers are present. We examine the robustness properties using the finite-sample breakdown point and an influence function. We show that the proposed estimator attains the maximum breakdown point. Furthermore, there is no loss in efficiency when there are no outliers or the error distribution is normal. For practical implementation of the proposed method, we present a computational algorithm. We examine the finite-sample and robustness properties using Monte Carlo studies. Two datasets are also analyzed.

Multi-Objective Community Detection Based on Memetic Algorithm

PubMed Central

2015-01-01

Community detection has drawn a lot of attention as it can provide invaluable help in understanding the function and visualizing the structure of networks. Since single objective optimization methods have intrinsic drawbacks to identifying multiple significant community structures, some methods formulate the community detection as multi-objective problems and adopt population-based evolutionary algorithms to obtain multiple community structures. Evolutionary algorithms have strong global search ability, but have difficulty in locating local optima efficiently. In this study, in order to identify multiple significant community structures more effectively, a multi-objective memetic algorithm for community detection is proposed by combining multi-objective evolutionary algorithm with a local search procedure. The local search procedure is designed by addressing three issues. Firstly, nondominated solutions generated by evolutionary operations and solutions in dominant population are set as initial individuals for local search procedure. Then, a new direction vector named as pseudonormal vector is proposed to integrate two objective functions together to form a fitness function. Finally, a network specific local search strategy based on label propagation rule is expanded to search the local optimal solutions efficiently. The extensive experiments on both artificial and real-world networks evaluate the proposed method from three aspects. Firstly, experiments on influence of local search procedure demonstrate that the local search procedure can speed up the convergence to better partitions and make the algorithm more stable. Secondly, comparisons with a set of classic community detection methods illustrate the proposed method can find single partitions effectively. Finally, the method is applied to identify hierarchical structures of networks which are beneficial for analyzing networks in multi-resolution levels. PMID:25932646

Multi-objective community detection based on memetic algorithm.

PubMed

Wu, Peng; Pan, Li

2015-01-01

Community detection has drawn a lot of attention as it can provide invaluable help in understanding the function and visualizing the structure of networks. Since single objective optimization methods have intrinsic drawbacks to identifying multiple significant community structures, some methods formulate the community detection as multi-objective problems and adopt population-based evolutionary algorithms to obtain multiple community structures. Evolutionary algorithms have strong global search ability, but have difficulty in locating local optima efficiently. In this study, in order to identify multiple significant community structures more effectively, a multi-objective memetic algorithm for community detection is proposed by combining multi-objective evolutionary algorithm with a local search procedure. The local search procedure is designed by addressing three issues. Firstly, nondominated solutions generated by evolutionary operations and solutions in dominant population are set as initial individuals for local search procedure. Then, a new direction vector named as pseudonormal vector is proposed to integrate two objective functions together to form a fitness function. Finally, a network specific local search strategy based on label propagation rule is expanded to search the local optimal solutions efficiently. The extensive experiments on both artificial and real-world networks evaluate the proposed method from three aspects. Firstly, experiments on influence of local search procedure demonstrate that the local search procedure can speed up the convergence to better partitions and make the algorithm more stable. Secondly, comparisons with a set of classic community detection methods illustrate the proposed method can find single partitions effectively. Finally, the method is applied to identify hierarchical structures of networks which are beneficial for analyzing networks in multi-resolution levels.

Eigenproblem solution by a combined Sturm sequence and inverse iteration technique.

NASA Technical Reports Server (NTRS)

Gupta, K. K.

1973-01-01

Description of an efficient and numerically stable algorithm, along with a complete listing of the associated computer program, developed for the accurate computation of specified roots and associated vectors of the eigenvalue problem Aq = lambda Bq with band symmetric A and B, B being also positive-definite. The desired roots are first isolated by the Sturm sequence procedure; then a special variant of the inverse iteration technique is applied for the individual determination of each root along with its vector. The algorithm fully exploits the banded form of relevant matrices, and the associated program written in FORTRAN V for the JPL UNIVAC 1108 computer proves to be most significantly economical in comparison to similar existing procedures. The program may be conveniently utilized for the efficient solution of practical engineering problems, involving free vibration and buckling analysis of structures. Results of such analyses are presented for representative structures.

Analytic Approximate Solutions to the Boundary Layer Flow Equation over a Stretching Wall with Partial Slip at the Boundary.

PubMed

Ene, Remus-Daniel; Marinca, Vasile; Marinca, Bogdan

2016-01-01

Analytic approximate solutions using Optimal Homotopy Perturbation Method (OHPM) are given for steady boundary layer flow over a nonlinearly stretching wall in presence of partial slip at the boundary. The governing equations are reduced to nonlinear ordinary differential equation by means of similarity transformations. Some examples are considered and the effects of different parameters are shown. OHPM is a very efficient procedure, ensuring a very rapid convergence of the solutions after only two iterations.

Analytic Approximate Solutions to the Boundary Layer Flow Equation over a Stretching Wall with Partial Slip at the Boundary

PubMed Central

Ene, Remus-Daniel; Marinca, Vasile; Marinca, Bogdan

2016-01-01

Analytic approximate solutions using Optimal Homotopy Perturbation Method (OHPM) are given for steady boundary layer flow over a nonlinearly stretching wall in presence of partial slip at the boundary. The governing equations are reduced to nonlinear ordinary differential equation by means of similarity transformations. Some examples are considered and the effects of different parameters are shown. OHPM is a very efficient procedure, ensuring a very rapid convergence of the solutions after only two iterations. PMID:27031232

Polyurethane foam loaded with SDS for the adsorption of cationic dyes from aqueous medium: Multivariate optimization of the loading process.

PubMed

Robaina, Nicolle F; Soriano, Silvio; Cassella, Ricardo J

2009-08-15

This paper reports the development of a new procedure for the adsorption of four cationic dyes (Rhodamine B, Methylene Blue, Crystal Violet and Malachite Green) from aqueous medium employing polyurethane foam (PUF) loaded with sodium dodecylsulfate (SDS) as solid phase. PUF loading process was based on the stirring of 200mg PUF cylinders with acidic solutions containing SDS. The conditions for loading were optimized by response surface methodology (RSM) using a Doehlert design with three variables that were SDS and HCl concentrations and stirring time. Results obtained in the optimization process showed that the stirring time is not a relevant parameter in the PUF loading, evidencing that the transport of SDS from solution to PUF surface is fast. On the other hand, both SDS and HCl concentrations were important parameters causing significant variation in the efficiency of the resulting solid phase for the removal of dyes from solution. At optimized conditions, SDS and HCl concentrations were 4.0 x 10(-4) and 0.90 mol L(-1), respectively. The influence of stirring time was evaluated by univariate methodology. A 20 min stirring time was established in order to make the PUF loading process fast and robust without losing efficiency. The procedure was tested for the removal of the four cationic dyes from aqueous solutions and removal efficiencies always better than 90% were achieved for the two concentrations tested (2.0 x 10(-5) and 1.0 x 10(-4)mol L(-1)).

On computations of the integrated space shuttle flowfield using overset grids

NASA Technical Reports Server (NTRS)

Chiu, I-T.; Pletcher, R. H.; Steger, J. L.

1990-01-01

Numerical simulations using the thin-layer Navier-Stokes equations and chimera (overset) grid approach were carried out for flows around the integrated space shuttle vehicle over a range of Mach numbers. Body-conforming grids were used for all the component grids. Testcases include a three-component overset grid - the external tank (ET), the solid rocket booster (SRB) and the orbiter (ORB), and a five-component overset grid - the ET, SRB, ORB, forward and aft attach hardware, configurations. The results were compared with the wind tunnel and flight data. In addition, a Poisson solution procedure (a special case of the vorticity-velocity formulation) using primitive variables was developed to solve three-dimensional, irrotational, inviscid flows for single as well as overset grids. The solutions were validated by comparisons with other analytical or numerical solution, and/or experimental results for various geometries. The Poisson solution was also used as an initial guess for the thin-layer Navier-Stokes solution procedure to improve the efficiency of the numerical flow simulations. It was found that this approach resulted in roughly a 30 percent CPU time savings as compared with the procedure solving the thin-layer Navier-Stokes equations from a uniform free stream flowfield.

An adaptive embedded mesh procedure for leading-edge vortex flows

NASA Technical Reports Server (NTRS)

Powell, Kenneth G.; Beer, Michael A.; Law, Glenn W.

1989-01-01

A procedure for solving the conical Euler equations on an adaptively refined mesh is presented, along with a method for determining which cells to refine. The solution procedure is a central-difference cell-vertex scheme. The adaptation procedure is made up of a parameter on which the refinement decision is based, and a method for choosing a threshold value of the parameter. The refinement parameter is a measure of mesh-convergence, constructed by comparison of locally coarse- and fine-grid solutions. The threshold for the refinement parameter is based on the curvature of the curve relating the number of cells flagged for refinement to the value of the refinement threshold. Results for three test cases are presented. The test problem is that of a delta wing at angle of attack in a supersonic free-stream. The resulting vortices and shocks are captured efficiently by the adaptive code.

An assessment of the adaptive unstructured tetrahedral grid, Euler Flow Solver Code FELISA

NASA Technical Reports Server (NTRS)

Djomehri, M. Jahed; Erickson, Larry L.

1994-01-01

A three-dimensional solution-adaptive Euler flow solver for unstructured tetrahedral meshes is assessed, and the accuracy and efficiency of the method for predicting sonic boom pressure signatures about simple generic models are demonstrated. Comparison of computational and wind tunnel data and enhancement of numerical solutions by means of grid adaptivity are discussed. The mesh generation is based on the advancing front technique. The FELISA code consists of two solvers, the Taylor-Galerkin and the Runge-Kutta-Galerkin schemes, both of which are spacially discretized by the usual Galerkin weighted residual finite-element methods but with different explicit time-marching schemes to steady state. The solution-adaptive grid procedure is based on either remeshing or mesh refinement techniques. An alternative geometry adaptive procedure is also incorporated.

Clinical-scale validation of a new efficient procedure for cryopreservation of ex vivo expanded cord blood hematopoietic stem and progenitor cells.

PubMed

Duchez, Pascale; Rodriguez, Laura; Chevaleyre, Jean; De La Grange, Philippe Brunet; Ivanovic, Zoran

2016-12-01

Survival of ex vivo expanded hematopoietic stem cells (HSC) and progenitor cells is low with the standard cryopreservation procedure. We recently showed that the efficiency of cryopreservation of these cells may be greatly enhanced by adding a serum-free xeno-free culture medium (HP01 Macopharma), which improves the antioxidant and biochemical properties of the cryopreservation solution. Here we present the clinical-scale validation of this cryopreservation procedure. The hematopoietic cells expanded in clinical-scale cultures were cryopreserved applying the new HP01-based procedure. The viability, apoptosis rate and number of functional committed progenitors (methyl-cellulose colony forming cell test), short-term repopulating HSCs (primary recipient NSG mice) and long-term HSCs (secondary recipient NSG mice) were tested before and after thawing. The efficiency of clinical-scale procedure reproduced the efficiency of cryopreservation obtained earlier in miniature sample experiments. Furthermore, the full preservation of short- and long-term HSCs was obtained in clinical scale conditions. Because the results obtained in clinical-scale volume are comparable to our earlier results in miniature-scale cultures, the clinical-scale procedure should be considered validated. It allows cryopreservation of the whole ex vivo expanded culture content, conserving full short- and long-term HSC activity. Copyright © 2016 International Society for Cellular Therapy. Published by Elsevier Inc. All rights reserved.

A quantitative approach to aquifer vulnerability mapping

NASA Astrophysics Data System (ADS)

Connell, L. D.; Daele, Gerd van den

2003-05-01

This paper presents a procedure for calculating the transport to groundwater of surface-released contaminants. The approach is derived from a series of analytical and semi-analytical solutions to the advection-dispersion equation that include root zone and unsaturated water movement effects on the transport process. The steady-state form of these equations provides an efficient means of calculating the maximum concentration at the watertable and therefore has potential for use in vulnerability mapping. A two-layer approach is used in the solutions to represent the unsaturated profile, with the root zone corresponding to the upper layer where evapotranspiration can occur and transport properties can be in contrast to the rest of the profile. A novel transformation is applied to the advection-dispersion equation that considerably simplifies the way in which water movement is represented. To provide a combined flow and transport model an approximate procedure for water movement, using averages of the infiltration and transpiration rates with a novel, simple, quasi-steady state solution, is presented that can be used in conjunction with the solutions to the advection-dispersion equation. This quasi-steady state approximation for water movement allows for layering in the soil profile and root water uptake. Results from the combined quasi-steady state water movement and semi-analytical solute transport procedure compare well with numerical solutions to the coupled unsaturated flow and solute transport equations in a series of hypothetical simulations.

Constraint treatment techniques and parallel algorithms for multibody dynamic analysis. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Chiou, Jin-Chern

1990-01-01

Computational procedures for kinematic and dynamic analysis of three-dimensional multibody dynamic (MBD) systems are developed from the differential-algebraic equations (DAE's) viewpoint. Constraint violations during the time integration process are minimized and penalty constraint stabilization techniques and partitioning schemes are developed. The governing equations of motion, a two-stage staggered explicit-implicit numerical algorithm, are treated which takes advantage of a partitioned solution procedure. A robust and parallelizable integration algorithm is developed. This algorithm uses a two-stage staggered central difference algorithm to integrate the translational coordinates and the angular velocities. The angular orientations of bodies in MBD systems are then obtained by using an implicit algorithm via the kinematic relationship between Euler parameters and angular velocities. It is shown that the combination of the present solution procedures yields a computationally more accurate solution. To speed up the computational procedures, parallel implementation of the present constraint treatment techniques, the two-stage staggered explicit-implicit numerical algorithm was efficiently carried out. The DAE's and the constraint treatment techniques were transformed into arrowhead matrices to which Schur complement form was derived. By fully exploiting the sparse matrix structural analysis techniques, a parallel preconditioned conjugate gradient numerical algorithm is used to solve the systems equations written in Schur complement form. A software testbed was designed and implemented in both sequential and parallel computers. This testbed was used to demonstrate the robustness and efficiency of the constraint treatment techniques, the accuracy of the two-stage staggered explicit-implicit numerical algorithm, and the speed up of the Schur-complement-based parallel preconditioned conjugate gradient algorithm on a parallel computer.

Curriculum-Based Measurement, Program Development, Graphing Performance and Increasing Efficiency.

ERIC Educational Resources Information Center

Deno, Stanley L.; And Others

1987-01-01

Four brief articles look at aspects of curriculum based measurement (CBM) for academically handicapped students including procedures of CBM with examples, different approaches to graphing student performance, and solutions to the problem of making time to measure student progress frequently. (DB)

PSA discriminator influence on (222)Rn efficiency detection in waters by liquid scintillation counting.

PubMed

Stojković, Ivana; Todorović, Nataša; Nikolov, Jovana; Tenjović, Branislava

2016-06-01

A procedure for the (222)Rn determination in aqueous samples using liquid scintillation counting (LSC) was evaluated and optimized. Measurements were performed by ultra-low background spectrometer Quantulus 1220™ equipped with PSA (Pulse Shape Analysis) circuit which discriminates alpha/beta spectra. Since calibration procedure is carried out with (226)Ra standard, which has both alpha and beta progenies, it is clear that PSA discriminator has vital importance in order to provide precise spectra separation. Improvement of calibration procedure was done through investigation of PSA discriminator level and, consequentially, the activity of (226)Ra calibration standard influence on (222)Rn efficiency detection. Quench effects on generated spectra i.e. determination of radon efficiency detection were also investigated with quench calibration curve obtained. Radon determination in waters based on modified procedure according to the activity of (226)Ra standard used, dependent on PSA setup, was evaluated with prepared (226)Ra solution samples and drinking water samples with assessment of measurement uncertainty variation included. Copyright © 2016 Elsevier Ltd. All rights reserved.

Numerical Procedures for Inlet/Diffuser/Nozzle Flows

NASA Technical Reports Server (NTRS)

Rubin, Stanley G.

1998-01-01

Two primitive variable, pressure based, flux-split, RNS/NS solution procedures for viscous flows are presented. Both methods are uniformly valid across the full Mach number range, Le., from the incompressible limit to high supersonic speeds. The first method is an 'optimized' version of a previously developed global pressure relaxation RNS procedure. Considerable reduction in the number of relatively expensive matrix inversion, and thereby in the computational time, has been achieved with this procedure. CPU times are reduced by a factor of 15 for predominantly elliptic flows (incompressible and low subsonic). The second method is a time-marching, 'linearized' convection RNS/NS procedure. The key to the efficiency of this procedure is the reduction to a single LU inversion at the inflow cross-plane. The remainder of the algorithm simply requires back-substitution with this LU and the corresponding residual vector at any cross-plane location. This method is not time-consistent, but has a convective-type CFL stability limitation. Both formulations are robust and provide accurate solutions for a variety of internal viscous flows to be provided herein.

Software support in automation of medicinal product evaluations.

PubMed

Juric, Radmila; Shojanoori, Reza; Slevin, Lindi; Williams, Stephen

2005-01-01

Medicinal product evaluation is one of the most important tasks undertaken by government health departments and their regulatory authorities, in every country in the world. The automation and adequate software support are critical tasks that can improve the efficiency and interoperation of regulatory systems across the world. In this paper we propose a software solution that supports the automation of the (i) submission of licensing applications, and (ii) evaluations of submitted licensing applications, according to regulatory authorities' procedures. The novelty of our solution is in allowing licensing applications to be submitted in any country in the world and evaluated according to any evaluation procedure (which can be chosen by either regulatory authorities or pharmaceutical companies). Consequently, submission and evaluation procedures become interoperable and the associated data repositories/databases can be shared between various countries and regulatory authorities.

Reliable and efficient solution of genome-scale models of Metabolism and macromolecular Expression

DOE PAGES

Ma, Ding; Yang, Laurence; Fleming, Ronan M. T.; ...

2017-01-18

Currently, Constraint-Based Reconstruction and Analysis (COBRA) is the only methodology that permits integrated modeling of Metabolism and macromolecular Expression (ME) at genome-scale. Linear optimization computes steady-state flux solutions to ME models, but flux values are spread over many orders of magnitude. Data values also have greatly varying magnitudes. Furthermore, standard double-precision solvers may return inaccurate solutions or report that no solution exists. Exact simplex solvers based on rational arithmetic require a near-optimal warm start to be practical on large problems (current ME models have 70,000 constraints and variables and will grow larger). We also developed a quadrupleprecision version of ourmore » linear and nonlinear optimizer MINOS, and a solution procedure (DQQ) involving Double and Quad MINOS that achieves reliability and efficiency for ME models and other challenging problems tested here. DQQ will enable extensive use of large linear and nonlinear models in systems biology and other applications involving multiscale data.« less

Reliable and efficient solution of genome-scale models of Metabolism and macromolecular Expression

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

Ma, Ding; Yang, Laurence; Fleming, Ronan M. T.

Currently, Constraint-Based Reconstruction and Analysis (COBRA) is the only methodology that permits integrated modeling of Metabolism and macromolecular Expression (ME) at genome-scale. Linear optimization computes steady-state flux solutions to ME models, but flux values are spread over many orders of magnitude. Data values also have greatly varying magnitudes. Furthermore, standard double-precision solvers may return inaccurate solutions or report that no solution exists. Exact simplex solvers based on rational arithmetic require a near-optimal warm start to be practical on large problems (current ME models have 70,000 constraints and variables and will grow larger). We also developed a quadrupleprecision version of ourmore » linear and nonlinear optimizer MINOS, and a solution procedure (DQQ) involving Double and Quad MINOS that achieves reliability and efficiency for ME models and other challenging problems tested here. DQQ will enable extensive use of large linear and nonlinear models in systems biology and other applications involving multiscale data.« less

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

GTA weld penetration and the effects of deviations in machine variables

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

Giedt, W.H.

1987-07-01

Analytical models for predicting the temperature distribution during GTA welding are reviewed with the purpose of developing a procedure for investigating the effects of deviations in machine parameters. The objective was to determine the accuracy required in machine settings to obtain reproducible results. This review revealed a wide range of published values (21 to 90%) for the arc heating efficiency. Low values (21 to 65%) were associated with evaluation of efficiency using constant property conduction models. Values from 75 to 90% were determined from calorimetric type measurements and are applicable for more accurate numerical solution procedures. Although numerical solutions canmore » yield better overall weld zone predictions, calculations are lengthy and complex. In view of this and the indication that acceptable agreement with experimental measurements can be achieved with the moving-point-source solution, it was utilized to investigate the effects of deviations or errors in voltage, current, and travel speed on GTA weld penetration. Variations resulting from welding within current goals for voltage (+-0.1 V), current (+-3.0 A), and travel speed (+-2.0%) were found to be +-2 to 4%, with voltage and current being more influential than travel speed.« less

Efficient runner safety assessment during early design phase and root cause analysis

NASA Astrophysics Data System (ADS)

Liang, Q. W.; Lais, S.; Gentner, C.; Braun, O.

2012-11-01

Fatigue related problems in Francis turbines, especially high head Francis turbines, have been published several times in the last years. During operation the runner is exposed to various steady and unsteady hydraulic loads. Therefore the analysis of forced response of the runner structure requires a combined approach of fluid dynamics and structural dynamics. Due to the high complexity of the phenomena and due to the limitation of computer power, the numerical prediction was in the past too expensive and not feasible for the use as standard design tool. However, due to continuous improvement of the knowledge and the simulation tools such complex analysis has become part of the design procedure in ANDRITZ HYDRO. This article describes the application of most advanced analysis techniques in runner safety check (RSC), including steady state CFD analysis, transient CFD analysis considering rotor stator interaction (RSI), static FE analysis and modal analysis in water considering the added mass effect, in the early design phase. This procedure allows a very efficient interaction between the hydraulic designer and the mechanical designer during the design phase, such that a risk of failure can be detected and avoided in an early design stage.The RSC procedure can also be applied to a root cause analysis (RCA) both to find out the cause of failure and to quickly define a technical solution to meet the safety criteria. An efficient application to a RCA of cracks in a Francis runner is quoted in this article as an example. The results of the RCA are presented together with an efficient and inexpensive solution whose effectiveness could be proven again by applying the described RSC technics. It is shown that, with the RSC procedure developed and applied as standard procedure in ANDRITZ HYDRO such a failure is excluded in an early design phase. Moreover, the RSC procedure is compatible with different commercial and open source codes and can be easily adapted to apply for other types of turbines, such as pump turbines and Pelton runners.

Function Allocation in Complex Socio-Technical Systems: Procedure usage in nuclear power and the Context Analysis Method for Identifying Design Solutions (CAMIDS) Model

NASA Astrophysics Data System (ADS)

Schmitt, Kara Anne

This research aims to prove that strict adherence to procedures and rigid compliance to process in the US Nuclear Industry may not prevent incidents or increase safety. According to the Institute of Nuclear Power Operations, the nuclear power industry has seen a recent rise in events, and this research claims that a contributing factor to this rise is organizational, cultural, and based on peoples overreliance on procedures and policy. Understanding the proper balance of function allocation, automation and human decision-making is imperative to creating a nuclear power plant that is safe, efficient, and reliable. This research claims that new generations of operators are less engaged and thinking because they have been instructed to follow procedures to a fault. According to operators, they were once to know the plant and its interrelations, but organizationally more importance is now put on following procedure and policy. Literature reviews were performed, experts were questioned, and a model for context analysis was developed. The Context Analysis Method for Identifying Design Solutions (CAMIDS) Model was created, verified and validated through both peer review and application in real world scenarios in active nuclear power plant simulators. These experiments supported the claim that strict adherence and rigid compliance to procedures may not increase safety by studying the industry's propensity for following incorrect procedures, and when it directly affects the outcome of safety or security of the plant. The findings of this research indicate that the younger generations of operators rely highly on procedures, and the organizational pressures of required compliance to procedures may lead to incidents within the plant because operators feel pressured into following the rules and policy above performing the correct actions in a timely manner. The findings support computer based procedures, efficient alarm systems, and skill of the craft matrices. The solution to the problems facing the industry include in-depth, multiple fault failure training which tests the operator's knowledge of the situation. This builds operator collaboration, competence and confidence to know what to do, and when to do it in response to an emergency situation. Strict adherence to procedures and rigid compliance to process may not prevent incidents or increase safety; building operators' fundamental skills of collaboration, competence and confidence will.

Flowing partially penetrating well: solution to a mixed-type boundary value problem

NASA Astrophysics Data System (ADS)

Cassiani, G.; Kabala, Z. J.; Medina, M. A.

A new semi-analytic solution to the mixed-type boundary value problem for a flowing partially penetrating well with infinitesimal skin situated in an anisotropic aquifer is developed. The solution is suited to aquifers having a semi-infinite vertical extent or to packer tests with aquifer horizontal boundaries far enough from the tested area. The problem reduces to a system of dual integral equations (DE) and further to a deconvolution problem. Unlike the analogous Dagan's steady-state solution [Water Resour. Res. 1978; 14:929-34], our DE solution does not suffer from numerical oscillations. The new solution is validated by matching the corresponding finite-difference solution and is computationally much more efficient. An automated (Newton-Raphson) parameter identification algorithm is proposed for field test inversion, utilizing the DE solution for the forward model. The procedure is computationally efficient and converges to correct parameter values. A solution for the partially penetrating flowing well with no skin and a drawdown-drawdown discontinuous boundary condition, analogous to that by Novakowski [Can. Geotech. J. 1993; 30:600-6], is compared to the DE solution. The D-D solution leads to physically inconsistent infinite total flow rate to the well, when no skin effect is considered. The DE solution, on the other hand, produces accurate results.

An efficient algorithm using matrix methods to solve wind tunnel force-balance equations

NASA Technical Reports Server (NTRS)

Smith, D. L.

1972-01-01

An iterative procedure applying matrix methods to accomplish an efficient algorithm for automatic computer reduction of wind-tunnel force-balance data has been developed. Balance equations are expressed in a matrix form that is convenient for storing balance sensitivities and interaction coefficient values for online or offline batch data reduction. The convergence of the iterative values to a unique solution of this system of equations is investigated, and it is shown that for balances which satisfy the criteria discussed, this type of solution does occur. Methods for making sensitivity adjustments and initial load effect considerations in wind-tunnel applications are also discussed, and the logic for determining the convergence accuracy limits for the iterative solution is given. This more efficient data reduction program is compared with the technique presently in use at the NASA Langley Research Center, and computational times on the order of one-third or less are demonstrated by use of this new program.

Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems. Task 4: Advanced fan section aerodynamic analysis computer program user's manual

NASA Technical Reports Server (NTRS)

Crook, Andrew J.; Delaney, Robert A.

1992-01-01

The computer program user's manual for the ADPACAPES (Advanced Ducted Propfan Analysis Code-Average Passage Engine Simulation) program is included. The objective of the computer program is development of a three-dimensional Euler/Navier-Stokes flow analysis for fan section/engine geometries containing multiple blade rows and multiple spanwise flow splitters. An existing procedure developed by Dr. J. J. Adamczyk and associates at the NASA Lewis Research Center was modified to accept multiple spanwise splitter geometries and simulate engine core conditions. The numerical solution is based upon a finite volume technique with a four stage Runge-Kutta time marching procedure. Multiple blade row solutions are based upon the average-passage system of equations. The numerical solutions are performed on an H-type grid system, with meshes meeting the requirement of maintaining a common axisymmetric mesh for each blade row grid. The analysis was run on several geometry configurations ranging from one to five blade rows and from one to four radial flow splitters. The efficiency of the solution procedure was shown to be the same as the original analysis.

An improved exploratory search technique for pure integer linear programming problems

NASA Technical Reports Server (NTRS)

Fogle, F. R.

1990-01-01

The development is documented of a heuristic method for the solution of pure integer linear programming problems. The procedure draws its methodology from the ideas of Hooke and Jeeves type 1 and 2 exploratory searches, greedy procedures, and neighborhood searches. It uses an efficient rounding method to obtain its first feasible integer point from the optimal continuous solution obtained via the simplex method. Since this method is based entirely on simple addition or subtraction of one to each variable of a point in n-space and the subsequent comparison of candidate solutions to a given set of constraints, it facilitates significant complexity improvements over existing techniques. It also obtains the same optimal solution found by the branch-and-bound technique in 44 of 45 small to moderate size test problems. Two example problems are worked in detail to show the inner workings of the method. Furthermore, using an established weighted scheme for comparing computational effort involved in an algorithm, a comparison of this algorithm is made to the more established and rigorous branch-and-bound method. A computer implementation of the procedure, in PC compatible Pascal, is also presented and discussed.

A Posteriori Finite Element Bounds for Sensitivity Derivatives of Partial-Differential-Equation Outputs. Revised

NASA Technical Reports Server (NTRS)

Lewis, Robert Michael; Patera, Anthony T.; Peraire, Jaume

1998-01-01

We present a Neumann-subproblem a posteriori finite element procedure for the efficient and accurate calculation of rigorous, 'constant-free' upper and lower bounds for sensitivity derivatives of functionals of the solutions of partial differential equations. The design motivation for sensitivity derivative error control is discussed; the a posteriori finite element procedure is described; the asymptotic bounding properties and computational complexity of the method are summarized; and illustrative numerical results are presented.

Optimal routing of hazardous substances in time-varying, stochastic transportation networks

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

Woods, A.L.; Miller-Hooks, E.; Mahmassani, H.S.

This report is concerned with the selection of routes in a network along which to transport hazardous substances, taking into consideration several key factors pertaining to the cost of transport and the risk of population exposure in the event of an accident. Furthermore, the fact that travel time and the risk measures are not constant over time is explicitly recognized in the routing decisions. Existing approaches typically assume static conditions, possibly resulting in inefficient route selection and unnecessary risk exposure. The report described the application of recent advances in network analysis methodologies to the problem of routing hazardous substances. Severalmore » specific problem formulations are presented, reflecting different degrees of risk aversion on the part of the decision-maker, as well as different possible operational scenarios. All procedures explicitly consider travel times and travel costs (including risk measures) to be stochastic time-varying quantities. The procedures include both exact algorithms, which may require extensive computational effort in some situations, as well as more efficient heuristics that may not guarantee a Pareto-optimal solution. All procedures are systematically illustrated for an example application using the Texas highway network, for both normal and incident condition scenarios. The application illustrates the trade-offs between the information obtained in the solution and computational efficiency, and highlights the benefits of incorporating these procedures in a decision-support system for hazardous substance shipment routing decisions.« less

Development and applications of algorithms for calculating the transonic flow about harmonically oscillating wings

NASA Technical Reports Server (NTRS)

Ehlers, F. E.; Weatherill, W. H.; Yip, E. L.

1984-01-01

A finite difference method to solve the unsteady transonic flow about harmonically oscillating wings was investigated. The procedure is based on separating the velocity potential into steady and unsteady parts and linearizing the resulting unsteady differential equation for small disturbances. The differential equation for the unsteady velocity potential is linear with spatially varying coefficients and with the time variable eliminated by assuming harmonic motion. An alternating direction implicit procedure was investigated, and a pilot program was developed for both two and three dimensional wings. This program provides a relatively efficient relaxation solution without previously encountered solution instability problems. Pressure distributions for two rectangular wings are calculated. Conjugate gradient techniques were developed for the asymmetric, indefinite problem. The conjugate gradient procedure is evaluated for applications to the unsteady transonic problem. Different equations for the alternating direction procedure are derived using a coordinate transformation for swept and tapered wing planforms. Pressure distributions for swept, untaped wings of vanishing thickness are correlated with linear results for sweep angles up to 45 degrees.

Characterization of ambient and extracted PM2.5 collected on filters for toxicology applications

PubMed Central

Roper, Courtney; Chubb, Lauren G.; Cambal, Leah; Tunno, Brett; Clougherty, Jane E.; Mischler, Steven E.

2016-01-01

Research on the health effects of fine particulate matter (PM2.5) frequently disregards the differences in particle composition between that measured on an ambient filter versus that measured in the corresponding extraction solution used for toxicological testing. This study presents a novel method for characterizing the differences, in metallic and organic species, between the ambient samples and the corresponding extracted solutions through characterization of extracted PM2.5 suspended on filters. Removal efficiency was found to be 98.0 ± 1.4% when measured using pre- and post-removal filter weights, however, this efficiency was significantly reduced to 80.2 ± 0.8% when measured based on particle mass in the extraction solution. Furthermore, only 47.2 ± 22.3% of metals and 24.8 ± 14.5% of organics measured on the ambient filter were found in the extraction solution. Individual metallic and organic components were extracted with varying efficiency, with many organics being lost entirely during extraction. Finally, extraction efficiencies of specific PM2.5 components were inversely correlated with total mass. This study details a method to assess compositional alterations resulting from extraction of PM2.5 from filters, emphasizing the need for standardized procedures that maintain compositional integrity of ambient samples for use in toxicology studies of PM2.5. PMID:26446919

Stochastic DG Placement for Conservation Voltage Reduction Based on Multiple Replications Procedure

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

Wang, Zhaoyu; Chen, Bokan; Wang, Jianhui

2015-06-01

Conservation voltage reduction (CVR) and distributed-generation (DG) integration are popular strategies implemented by utilities to improve energy efficiency. This paper investigates the interactions between CVR and DG placement to minimize load consumption in distribution networks, while keeping the lowest voltage level within the predefined range. The optimal placement of DG units is formulated as a stochastic optimization problem considering the uncertainty of DG outputs and load consumptions. A sample average approximation algorithm-based technique is developed to solve the formulated problem effectively. A multiple replications procedure is developed to test the stability of the solution and calculate the confidence interval ofmore » the gap between the candidate solution and optimal solution. The proposed method has been applied to the IEEE 37-bus distribution test system with different scenarios. The numerical results indicate that the implementations of CVR and DG, if combined, can achieve significant energy savings.« less

Time-Accurate Solutions of Incompressible Navier-Stokes Equations for Potential Turbopump Applications

NASA Technical Reports Server (NTRS)

Kiris, Cetin; Kwak, Dochan

2001-01-01

Two numerical procedures, one based on artificial compressibility method and the other pressure projection method, are outlined for obtaining time-accurate solutions of the incompressible Navier-Stokes equations. The performance of the two method are compared by obtaining unsteady solutions for the evolution of twin vortices behind a at plate. Calculated results are compared with experimental and other numerical results. For an un- steady ow which requires small physical time step, pressure projection method was found to be computationally efficient since it does not require any subiterations procedure. It was observed that the artificial compressibility method requires a fast convergence scheme at each physical time step in order to satisfy incompressibility condition. This was obtained by using a GMRES-ILU(0) solver in our computations. When a line-relaxation scheme was used, the time accuracy was degraded and time-accurate computations became very expensive.

An efficient technique for higher order fractional differential equation.

PubMed

Ali, Ayyaz; Iqbal, Muhammad Asad; Ul-Hassan, Qazi Mahmood; Ahmad, Jamshad; Mohyud-Din, Syed Tauseef

2016-01-01

In this study, we establish exact solutions of fractional Kawahara equation by using the idea of [Formula: see text]-expansion method. The results of different studies show that the method is very effective and can be used as an alternative for finding exact solutions of nonlinear evolution equations (NLEEs) in mathematical physics. The solitary wave solutions are expressed by the hyperbolic, trigonometric, exponential and rational functions. Graphical representations along with the numerical data reinforce the efficacy of the used procedure. The specified idea is very effective, expedient for fractional PDEs, and could be extended to other physical problems.

Finite-difference solution of the compressible stability eigenvalue problem

NASA Technical Reports Server (NTRS)

Malik, M. R.

1982-01-01

A compressible stability analysis computer code is developed. The code uses a matrix finite difference method for local eigenvalue solution when a good guess for the eigenvalue is available and is significantly more computationally efficient than the commonly used initial value approach. The local eigenvalue search procedure also results in eigenfunctions and, at little extra work, group velocities. A globally convergent eigenvalue procedure is also developed which may be used when no guess for the eigenvalue is available. The global problem is formulated in such a way that no unstable spurious modes appear so that the method is suitable for use in a black box stability code. Sample stability calculations are presented for the boundary layer profiles of a Laminar Flow Control (LFC) swept wing.

Curtailing Perovskite Processing Limitations via Lamination at the Perovskite/Perovskite Interface

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

Van Hest, Marinus F; Moore, David; Klein, Talysa

Standard layer-by-layer solution processing methods constrain lead-halide perovskite device architectures. The layer below the perovskite must be robust to the strong organic solvents used to form the perovskite while the layer above has a limited thermal budget and must be processed in nonpolar solvents to prevent perovskite degradation. To circumvent these limitations, we developed a procedure where two transparent conductive oxide/transport material/perovskite half stacks are independently fabricated and then laminated together at the perovskite/perovskite interface. Using ultraviolet-visible absorption spectroscopy, external quantum efficiency, X-ray diffraction, and time-resolved photoluminesence spectroscopy, we show that this procedure improves photovoltaic properties of the perovskite layer.more » Applying this procedure, semitransparent devices employing two high-temperature oxide transport layers were fabricated, which realized an average efficiency of 9.6% (maximum: 10.6%) despite series resistance limitations from the substrate design. Overall, the developed lamination procedure curtails processing constraints, enables new device designs, and affords new opportunities for optimization.« less

Staggered solution procedures for multibody dynamics simulation

NASA Technical Reports Server (NTRS)

Park, K. C.; Chiou, J. C.; Downer, J. D.

1990-01-01

The numerical solution procedure for multibody dynamics (MBD) systems is termed a staggered MBD solution procedure that solves the generalized coordinates in a separate module from that for the constraint force. This requires a reformulation of the constraint conditions so that the constraint forces can also be integrated in time. A major advantage of such a partitioned solution procedure is that additional analysis capabilities such as active controller and design optimization modules can be easily interfaced without embedding them into a monolithic program. After introducing the basic equations of motion for MBD system in the second section, Section 3 briefly reviews some constraint handling techniques and introduces the staggered stabilized technique for the solution of the constraint forces as independent variables. The numerical direct time integration of the equations of motion is described in Section 4. As accurate damping treatment is important for the dynamics of space structures, we have employed the central difference method and the mid-point form of the trapezoidal rule since they engender no numerical damping. This is in contrast to the current practice in dynamic simulations of ground vehicles by employing a set of backward difference formulas. First, the equations of motion are partitioned according to the translational and the rotational coordinates. This sets the stage for an efficient treatment of the rotational motions via the singularity-free Euler parameters. The resulting partitioned equations of motion are then integrated via a two-stage explicit stabilized algorithm for updating both the translational coordinates and angular velocities. Once the angular velocities are obtained, the angular orientations are updated via the mid-point implicit formula employing the Euler parameters. When the two algorithms, namely, the two-stage explicit algorithm for the generalized coordinates and the implicit staggered procedure for the constraint Lagrange multipliers, are brought together in a staggered manner, they constitute a staggered explicit-implicit procedure which is summarized in Section 5. Section 6 presents some example problems and discussions concerning several salient features of the staggered MBD solution procedure are offered in Section 7.

Three dimensional unstructured multigrid for the Euler equations

NASA Technical Reports Server (NTRS)

Mavriplis, D. J.

1991-01-01

The three dimensional Euler equations are solved on unstructured tetrahedral meshes using a multigrid strategy. The driving algorithm consists of an explicit vertex-based finite element scheme, which employs an edge-based data structure to assemble the residuals. The multigrid approach employs a sequence of independently generated coarse and fine meshes to accelerate the convergence to steady-state of the fine grid solution. Variables, residuals and corrections are passed back and forth between the various grids of the sequence using linear interpolation. The addresses and weights for interpolation are determined in a preprocessing stage using linear interpolation. The addresses and weights for interpolation are determined in a preprocessing stage using an efficient graph traversal algorithm. The preprocessing operation is shown to require a negligible fraction of the CPU time required by the overall solution procedure, while gains in overall solution efficiencies greater than an order of magnitude are demonstrated on meshes containing up to 350,000 vertices. Solutions using globally regenerated fine meshes as well as adaptively refined meshes are given.

A novel hybrid genetic algorithm to solve the make-to-order sequence-dependent flow-shop scheduling problem

NASA Astrophysics Data System (ADS)

Mirabi, Mohammad; Fatemi Ghomi, S. M. T.; Jolai, F.

2014-04-01

Flow-shop scheduling problem (FSP) deals with the scheduling of a set of n jobs that visit a set of m machines in the same order. As the FSP is NP-hard, there is no efficient algorithm to reach the optimal solution of the problem. To minimize the holding, delay and setup costs of large permutation flow-shop scheduling problems with sequence-dependent setup times on each machine, this paper develops a novel hybrid genetic algorithm (HGA) with three genetic operators. Proposed HGA applies a modified approach to generate a pool of initial solutions, and also uses an improved heuristic called the iterated swap procedure to improve the initial solutions. We consider the make-to-order production approach that some sequences between jobs are assumed as tabu based on maximum allowable setup cost. In addition, the results are compared to some recently developed heuristics and computational experimental results show that the proposed HGA performs very competitively with respect to accuracy and efficiency of solution.

A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: Multi-center molecular Ornstein-Zernike self-consistent field approach

NASA Astrophysics Data System (ADS)

Kido, Kentaro; Kasahara, Kento; Yokogawa, Daisuke; Sato, Hirofumi

2015-07-01

In this study, we reported the development of a new quantum mechanics/molecular mechanics (QM/MM)-type framework to describe chemical processes in solution by combining standard molecular-orbital calculations with a three-dimensional formalism of integral equation theory for molecular liquids (multi-center molecular Ornstein-Zernike (MC-MOZ) method). The theoretical procedure is very similar to the 3D-reference interaction site model self-consistent field (RISM-SCF) approach. Since the MC-MOZ method is highly parallelized for computation, the present approach has the potential to be one of the most efficient procedures to treat chemical processes in solution. Benchmark tests to check the validity of this approach were performed for two solute (solute water and formaldehyde) systems and a simple SN2 reaction (Cl- + CH3Cl → ClCH3 + Cl-) in aqueous solution. The results for solute molecular properties and solvation structures obtained by the present approach were in reasonable agreement with those obtained by other hybrid frameworks and experiments. In particular, the results of the proposed approach are in excellent agreements with those of 3D-RISM-SCF.

A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: multi-center molecular Ornstein-Zernike self-consistent field approach.

PubMed

Kido, Kentaro; Kasahara, Kento; Yokogawa, Daisuke; Sato, Hirofumi

2015-07-07

In this study, we reported the development of a new quantum mechanics/molecular mechanics (QM/MM)-type framework to describe chemical processes in solution by combining standard molecular-orbital calculations with a three-dimensional formalism of integral equation theory for molecular liquids (multi-center molecular Ornstein-Zernike (MC-MOZ) method). The theoretical procedure is very similar to the 3D-reference interaction site model self-consistent field (RISM-SCF) approach. Since the MC-MOZ method is highly parallelized for computation, the present approach has the potential to be one of the most efficient procedures to treat chemical processes in solution. Benchmark tests to check the validity of this approach were performed for two solute (solute water and formaldehyde) systems and a simple SN2 reaction (Cl(-) + CH3Cl → ClCH3 + Cl(-)) in aqueous solution. The results for solute molecular properties and solvation structures obtained by the present approach were in reasonable agreement with those obtained by other hybrid frameworks and experiments. In particular, the results of the proposed approach are in excellent agreements with those of 3D-RISM-SCF.

Implementation of a block Lanczos algorithm for Eigenproblem solution of gyroscopic systems

NASA Technical Reports Server (NTRS)

Gupta, Kajal K.; Lawson, Charles L.

1987-01-01

The details of implementation of a general numerical procedure developed for the accurate and economical computation of natural frequencies and associated modes of any elastic structure rotating along an arbitrary axis are described. A block version of the Lanczos algorithm is derived for the solution that fully exploits associated matrix sparsity and employs only real numbers in all relevant computations. It is also capable of determining multiple roots and proves to be most efficient when compared to other, similar, exisiting techniques.

Investigation of the continuous flow of the sample solution on the performance of electromembrane extraction: Comparison with conventional procedure.

PubMed

Nojavan, Saeed; Sirani, Mahsa; Asadi, Sakine

2017-10-01

In this study, electromembrane extraction from a flowing sample solution, termed as continuous-flow electromembrane extraction, was developed and compared with conventional procedures for the determination of four basic drugs in real samples. Experimental parameters affecting the extraction efficiency were further studied and optimized. Under optimum conditions, linearity of continuous-flow procedure was within 8.0-500 ng/mL, while it was wider for conventional procedures (2.0-500 ng/mL). Moreover, repeatability (percentage relative standard deviation) was found to range between 5.6 and 10.4% (n = 3) for the continuous-flow procedure, with a better repeatability than that of conventional procedures (2.3-5.5% (n = 3)). Also, for the continuous-flow procedure, the estimated detection limit (signal-to-noise ratio = 3) was less than 2.4 ng/mL and extraction recoveries were within 8-10%, while the corresponding figures for conventional procedures were less than 0.6 ng/mL and 42-60%, respectively. Thus, the results showed that both continuous flow and conventional procedures were applicable for the extraction of model compounds. However, the conventional procedure was more convenient to use, and thus it was applied to determine sample drugs in real urine and wastewater samples. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Estimation of near-surface shear-wave velocity by inversion of Rayleigh waves

USGS Publications Warehouse

Xia, J.; Miller, R.D.; Park, C.B.

1999-01-01

The shear-wave (S-wave) velocity of near-surface materials (soil, rocks, pavement) and its effect on seismic-wave propagation are of fundamental interest in many groundwater, engineering, and environmental studies. Rayleigh-wave phase velocity of a layered-earth model is a function of frequency and four groups of earth properties: P-wave velocity, S-wave velocity, density, and thickness of layers. Analysis of the Jacobian matrix provides a measure of dispersion-curve sensitivity to earth properties. S-wave velocities are the dominant influence on a dispersion curve in a high-frequency range (>5 Hz) followed by layer thickness. An iterative solution technique to the weighted equation proved very effective in the high-frequency range when using the Levenberg-Marquardt and singular-value decomposition techniques. Convergence of the weighted solution is guaranteed through selection of the damping factor using the Levenberg-Marquardt method. Synthetic examples demonstrated calculation efficiency and stability of inverse procedures. We verify our method using borehole S-wave velocity measurements.Iterative solutions to the weighted equation by the Levenberg-Marquardt and singular-value decomposition techniques are derived to estimate near-surface shear-wave velocity. Synthetic and real examples demonstrate the calculation efficiency and stability of the inverse procedure. The inverse results of the real example are verified by borehole S-wave velocity measurements.

Reevaluation of microplastics extraction efficiency with the aim of Munich Plastic Sediment Separator.

NASA Astrophysics Data System (ADS)

Zobkov, Mikhail; Esiukova, Elena; Grave, Aleksei; Khatmullina, Liliya

2017-04-01

Invading of microplastics into marine environment is known as a global ecological threat. Specific density of microplastics can vary significantly depending on a polymer type, technological processes of its production, additives, weathering, and biofouling. Plastic particles can sink or float on the sea surface, but with time, most of drifting plastics become negatively buoyant and sink to the sea floor due to biofouling or adherence of denser particles. As a result, the seabed becomes the ultimate repository for microplastic particles and fibres. A study of microplastics content in aquatic sediments is an important source of information about ways of their migration, sink and accumulation zones. The Munich Plastic Sediment Separator (MPSS), proposed by Imhoff et al. (2012), is considered as the most effective tool for microplastic extraction. However, we observed that the numbers of marine microplastics extracted with this tool from different kinds of bottom sediments were significantly underestimated. We examined the extraction efficiency of the MPSS by adding artificial reference particles (ARPs) to marine sediment sample before the extraction procedure. Extraction was performed by two different methods: the modified NOAA method and using the MPSS. The separation solution with specific density 1.5 g/ml was used. Subsequent cleaning, drying and microscope detection procedures were identical. The microplastics content was determined in supernatant fraction, in the bulk of the extraction solution, in spoil dump fraction of MPSS and in instrument wash-out. While the extraction efficiency from natural sediments of ARPs by the MPSS was really high (100% in most cases), the extraction efficiency of marine microplastics was up to 10 times lower than that obtained with modified NOAA method for the same samples. Less than 40% of the total marine microplastics content has been successfully extracted with the MPSS. Large amounts of marine microplastics were found in the spoil dump and in the bulk solution fractions of the MPSS. Changes in stirring and separation periods had weak impact on the extraction efficiency of ARPs and marine microplastics. Until now, we are unable to find effective working procedures for adequate extraction of marine microplastics with the MPSS. The MPSS was found to be a useful tool for microplastics extraction from large sediment samples for qualitative analysis and to obtain examination specimens. Applying the MPSS for quantitative microplastics analysis requires further testing and elaboration of standardized extraction procedures. The research is supported by the Russian Science Foundation, grant number 15-17-10020 (project MARBLE). Imhof, H. K., Schmid, J., Niessner, R., Ivleva, N. P., Laforsch, C. 2012. A novel, highly efficient method for the separation and quantification of plastic particles in sediments of aquatic environments. Limnology and Oceanography: Methods, 10(7), 524-537. DOI 10.4319/lom.2012.10.524

A "SYSTEMS" APPROACH TO THE COORDINATION OF INSTRUCTION AND LEARNING RESOURCES.

ERIC Educational Resources Information Center

HUNTER, ARMAND L.

THE QUESTION OF ESTABLISHING SYSTEMS AND PROCEDURES WHEREBY INSTITUTIONS CAN TEACH MORE STUDENTS FASTER AND MORE EFFICIENTLY IS POSED. THE SOLUTION IS THAT OF DEVELOPING A NEW CONCEPT IN THE DESIGN OF A "SYSTEMS" APPROACH TO THE PROGRAMING AND UTILIZATION OF INSTRUCTIONAL AND LEARNING RESOURCES. THE VALUE AND PURPOSE ASPECTS OF THE…

Method for hyperspectral imagery exploitation and pixel spectral unmixing

NASA Technical Reports Server (NTRS)

Lin, Ching-Fang (Inventor)

2003-01-01

An efficiently hybrid approach to exploit hyperspectral imagery and unmix spectral pixels. This hybrid approach uses a genetic algorithm to solve the abundance vector for the first pixel of a hyperspectral image cube. This abundance vector is used as initial state in a robust filter to derive the abundance estimate for the next pixel. By using Kalman filter, the abundance estimate for a pixel can be obtained in one iteration procedure which is much fast than genetic algorithm. The output of the robust filter is fed to genetic algorithm again to derive accurate abundance estimate for the current pixel. The using of robust filter solution as starting point of the genetic algorithm speeds up the evolution of the genetic algorithm. After obtaining the accurate abundance estimate, the procedure goes to next pixel, and uses the output of genetic algorithm as the previous state estimate to derive abundance estimate for this pixel using robust filter. And again use the genetic algorithm to derive accurate abundance estimate efficiently based on the robust filter solution. This iteration continues until pixels in a hyperspectral image cube end.

Efficiency Improvement of Some Agricultural Residue Modified Materials for Textile Dyes Absorption

NASA Astrophysics Data System (ADS)

Boonsong, P.; Paksamut, J.

2018-03-01

In this work, the adsorption efficiency was investigated of some agricultural residue modified materials as natural bio-adsorbents which were rice straw (Oryza sativa L.) and pineapple leaves (Ananas comosus (L.) Merr.) for the removal of textile dyes. Reactive dyes were used in this research. The improvement procedure of agricultural residue materials properties were alkali-acid modification with sodium hydroxide solution and hydrochloric acid solution. Adsorption performance has been investigated using batch experiments. Investigated adsorption factors consisted of adsorbent dose, contact time, adsorbent materials and pH of solution. The results were found that rice straw had higher adsorption capacity than pineapple leaves. The increasing of adsorption capacity depends on adsorbent dose and contact time. Moreover, the optimum pH for dye adsorption was acidic range because lowering pH increased the positively charges on the adsorbent surface which could be attacked by negatively charge of acid dyes. The agricultural residue modified materials had significant dye removal efficiency which these adsorbents could be used for the treatment of textile effluent in industries.

Application of Four-Point Newton-EGSOR iteration for the numerical solution of 2D Porous Medium Equations

NASA Astrophysics Data System (ADS)

Chew, J. V. L.; Sulaiman, J.

2017-09-01

Partial differential equations that are used in describing the nonlinear heat and mass transfer phenomena are difficult to be solved. For the case where the exact solution is difficult to be obtained, it is necessary to use a numerical procedure such as the finite difference method to solve a particular partial differential equation. In term of numerical procedure, a particular method can be considered as an efficient method if the method can give an approximate solution within the specified error with the least computational complexity. Throughout this paper, the two-dimensional Porous Medium Equation (2D PME) is discretized by using the implicit finite difference scheme to construct the corresponding approximation equation. Then this approximation equation yields a large-sized and sparse nonlinear system. By using the Newton method to linearize the nonlinear system, this paper deals with the application of the Four-Point Newton-EGSOR (4NEGSOR) iterative method for solving the 2D PMEs. In addition to that, the efficiency of the 4NEGSOR iterative method is studied by solving three examples of the problems. Based on the comparative analysis, the Newton-Gauss-Seidel (NGS) and the Newton-SOR (NSOR) iterative methods are also considered. The numerical findings show that the 4NEGSOR method is superior to the NGS and the NSOR methods in terms of the number of iterations to get the converged solutions, the time of computation and the maximum absolute errors produced by the methods.

Efficient bounding schemes for the two-center hybrid flow shop scheduling problem with removal times.

PubMed

Hidri, Lotfi; Gharbi, Anis; Louly, Mohamed Aly

2014-01-01

We focus on the two-center hybrid flow shop scheduling problem with identical parallel machines and removal times. The job removal time is the required duration to remove it from a machine after its processing. The objective is to minimize the maximum completion time (makespan). A heuristic and a lower bound are proposed for this NP-Hard problem. These procedures are based on the optimal solution of the parallel machine scheduling problem with release dates and delivery times. The heuristic is composed of two phases. The first one is a constructive phase in which an initial feasible solution is provided, while the second phase is an improvement one. Intensive computational experiments have been conducted to confirm the good performance of the proposed procedures.

Efficient Bounding Schemes for the Two-Center Hybrid Flow Shop Scheduling Problem with Removal Times

PubMed Central

2014-01-01

We focus on the two-center hybrid flow shop scheduling problem with identical parallel machines and removal times. The job removal time is the required duration to remove it from a machine after its processing. The objective is to minimize the maximum completion time (makespan). A heuristic and a lower bound are proposed for this NP-Hard problem. These procedures are based on the optimal solution of the parallel machine scheduling problem with release dates and delivery times. The heuristic is composed of two phases. The first one is a constructive phase in which an initial feasible solution is provided, while the second phase is an improvement one. Intensive computational experiments have been conducted to confirm the good performance of the proposed procedures. PMID:25610911

Application of the optimal homotopy asymptotic method to nonlinear Bingham fluid dampers

NASA Astrophysics Data System (ADS)

Marinca, Vasile; Ene, Remus-Daniel; Bereteu, Liviu

2017-10-01

Dynamic response time is an important feature for determining the performance of magnetorheological (MR) dampers in practical civil engineering applications. The objective of this paper is to show how to use the Optimal Homotopy Asymptotic Method (OHAM) to give approximate analytical solutions of the nonlinear differential equation of a modified Bingham model with non-viscous exponential damping. Our procedure does not depend upon small parameters and provides us with a convenient way to optimally control the convergence of the approximate solutions. OHAM is very efficient in practice for ensuring very rapid convergence of the solution after only one iteration and with a small number of steps.

Continuous formation of N-chloro-N,N-dialkylamine solutions in well-mixed meso-scale flow reactors

PubMed Central

Jolley, Katherine E

2015-01-01

Summary The continuous flow synthesis of a range of organic solutions of N,N-dialkyl-N-chloramines is described using either a bespoke meso-scale tubular reactor with static mixers or a continuous stirred tank reactor. Both reactors promote the efficient mixing of a biphasic solution of N,N-dialkylamine in organic solvent, and aqueous sodium hypochlorite to achieve near quantitative conversions, in 72–100% in situ yields, and useful productivities of around 0.05 mol/h with residence times from 3 to 20 minutes. Initial calorimetric studies have been carried out to inform on reaction exotherms, rates and safe operation. Amines which partition mainly in the organic phase require longer reaction times, provided by the CSTR, to compensate for low mass transfer rates in the biphasic system. The green metrics of the reaction have been assessed and compared to existing procedures and have shown the continuous process is improved over previous procedures. The organic solutions of N,N-dialkyl-N-chloramines produced continuously will enable their use in tandem flow reactions with a range of nucleophilic substrates. PMID:26734089

A full potential flow analysis with realistic wake influence for helicopter rotor airload prediction

NASA Technical Reports Server (NTRS)

Egolf, T. Alan; Sparks, S. Patrick

1987-01-01

A 3-D, quasi-steady, full potential flow solver was adapted to include realistic wake influence for the aerodynamic analysis of helicopter rotors. The method is based on a finite difference solution of the full potential equation, using an inner and outer domain procedure for the blade flowfield to accommodate wake effects. The nonlinear flow is computed in the inner domain region using a finite difference solution method. The wake is modeled by a vortex lattice using prescribed geometry techniques to allow for the inclusion of realistic rotor wakes. The key feature of the analysis is that vortices contained within the finite difference mesh (inner domain) were treated with a vortex embedding technique while the influence of the remaining portion of the wake (in the outer domain) is impressed as a boundary condition on the outer surface of the finite difference mesh. The solution procedure couples the wake influence with the inner domain solution in a consistent and efficient solution process. The method has been applied to both hover and forward flight conditions. Correlation with subsonic and transonic hover airload data is shown which demonstrates the merits of the approach.

Low level vapor verification of monomethyl hydrazine

NASA Technical Reports Server (NTRS)

Mehta, Narinder

1990-01-01

The vapor scrubbing system and the coulometric test procedure for the low level vapor verification of monomethyl hydrazine (MMH) are evaluated. Experimental data on precision, efficiency of the scrubbing liquid, instrument response, detection and reliable quantitation limits, stability of the vapor scrubbed solution, and interference were obtained to assess the applicability of the method for the low ppb level detection of the analyte vapor in air. The results indicated that the analyte vapor scrubbing system and the coulometric test procedure can be utilized for the quantitative detection of low ppb level vapor of MMH in air.

Principles for Designing Mathematical Tasks That Enhance Imitative and Creative Reasoning

ERIC Educational Resources Information Center

Lithner, Johan

2017-01-01

The design research programme learning by imitative and creative reasoning (LICR) studies whether, how and why tasks and teaching that enhance creative reasoning lead to a more productive struggle and more efficient learning than the common but inefficient task designs based on imitating given solution procedures. The purpose of this paper is to…

BOPACE 3-D (the Boeing Plastic Analysis Capability for 3-dimensional Solids Using Isoparametric Finite Elements)

NASA Technical Reports Server (NTRS)

Vos, R. G.; Straayer, J. W.

1975-01-01

The BOPACE 3-D is a finite element computer program, which provides a general family of three-dimensional isoparametric solid elements, and includes a new algorithm for improving the efficiency of the elastic-plastic-creep solution procedure. Theoretical, user, and programmer oriented sections are presented to describe the program.

Improved hopcalite procedure for the determination of mercury vapor in air by flameless atomic absorption.

PubMed

Rathje, A O; Marcero, D H

1976-05-01

Mercury vapor is efficiently trapped from air by passage through a small glass tube filled with hopcalite. The hopcalite and adsorbed mercury are dissolved in a mixture of nitric and hydrochloric acids. Solution is rapid and complete, with no loss of mercury. Analysis is completed by flameless atomic absorption.

A time-accurate implicit method for chemical non-equilibrium flows at all speeds

NASA Technical Reports Server (NTRS)

Shuen, Jian-Shun

1992-01-01

A new time accurate coupled solution procedure for solving the chemical non-equilibrium Navier-Stokes equations over a wide range of Mach numbers is described. The scheme is shown to be very efficient and robust for flows with velocities ranging from M less than or equal to 10(exp -10) to supersonic speeds.

Optimal Least-Squares Unidimensional Scaling: Improved Branch-and-Bound Procedures and Comparison to Dynamic Programming

ERIC Educational Resources Information Center

Brusco, Michael J.; Stahl, Stephanie

2005-01-01

There are two well-known methods for obtaining a guaranteed globally optimal solution to the problem of least-squares unidimensional scaling of a symmetric dissimilarity matrix: (a) dynamic programming, and (b) branch-and-bound. Dynamic programming is generally more efficient than branch-and-bound, but the former is limited to matrices with…

Global Asymptotic Behavior of Iterative Implicit Schemes

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sweby, P. K.

1994-01-01

The global asymptotic nonlinear behavior of some standard iterative procedures in solving nonlinear systems of algebraic equations arising from four implicit linear multistep methods (LMMs) in discretizing three models of 2 x 2 systems of first-order autonomous nonlinear ordinary differential equations (ODEs) is analyzed using the theory of dynamical systems. The iterative procedures include simple iteration and full and modified Newton iterations. The results are compared with standard Runge-Kutta explicit methods, a noniterative implicit procedure, and the Newton method of solving the steady part of the ODEs. Studies showed that aside from exhibiting spurious asymptotes, all of the four implicit LMMs can change the type and stability of the steady states of the differential equations (DEs). They also exhibit a drastic distortion but less shrinkage of the basin of attraction of the true solution than standard nonLMM explicit methods. The simple iteration procedure exhibits behavior which is similar to standard nonLMM explicit methods except that spurious steady-state numerical solutions cannot occur. The numerical basins of attraction of the noniterative implicit procedure mimic more closely the basins of attraction of the DEs and are more efficient than the three iterative implicit procedures for the four implicit LMMs. Contrary to popular belief, the initial data using the Newton method of solving the steady part of the DEs may not have to be close to the exact steady state for convergence. These results can be used as an explanation for possible causes and cures of slow convergence and nonconvergence of steady-state numerical solutions when using an implicit LMM time-dependent approach in computational fluid dynamics.

Synthesis and Characterization of Mixed Iron-Manganese Oxide Nanoparticles and Their Application for Efficient Nickel Ion Removal from Aqueous Samples

PubMed Central

Serra, Antonio; Monteduro, Anna Grazia; Padmanabhan, Sanosh Kunjalukkal; Licciulli, Antonio; Bonfrate, Valentina; Salvatore, Luca; Calcagnile, Lucio

2017-01-01

Mixed iron-manganese oxide nanoparticles, synthesized by a simple procedure, were used to remove nickel ion from aqueous solutions. Nanostructures, prepared by using different weight percents of manganese, were characterized by transmission electron microscopy, selected area diffraction, X-ray diffraction, Raman spectroscopy, and vibrating sample magnetometry. Adsorption/desorption isotherm curves demonstrated that manganese inclusions enhance the specific surface area three times and the pores volume ten times. This feature was crucial to decontaminate both aqueous samples and food extracts from nickel ion. Efficient removal of Ni2+ was highlighted by the well-known dimethylglyoxime test and by ICP-MS analysis and the possibility of regenerating the nanostructure was obtained by a washing treatment in disodium ethylenediaminetetraacetate solution. PMID:28804670

DEVELOPMENT OF AGENTS AND PROCEDURES FOR DECONTAMINATION OF THE YANKEE REACTOR PRIMARY COOLANT SYSTEM

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

Watkins, R.M.

1959-03-01

Developments relative to decontamination achieved under the Yankee Reasearch and Development program are reported. The decontamination of a large test loop which had been used to conduct corrosion rate studies for the Yankee reactor program is described. The basic permanganate-citrate decontamination procedure suggested for application in Yankee reactor primary system cleanup was used. A study of the chemistry of this decontamination operation is presented, together with conclusions pertaining to the effectiveness of the solutions under the conditions studied. In an attempt to further improve the efficiency of the procedure, an additional series of static and dynamic tests was performcd usingmore » contaminated sections of stainless steel tubing from the original SlW steam generator. Survival variables in the process (reagent composition, contact time, temperature, and flow velocity) were studied. The changes in decontamination efficiency produced by these variations are discussed and compared with results obtained throughthe use of similar procedures. Based on the observations made, conclusions are drawn concerning the optimum conditions for this cleanup process, a new set of suggested basic permanganate-citrate decontamination instructions is presented, and recommendations are made concerning future studies involving this procedure. (auth)« less

Development of an efficient procedure for calculating the aerodynamic effects of planform variation

NASA Technical Reports Server (NTRS)

Mercer, J. E.; Geller, E. W.

1981-01-01

Numerical procedures to compute gradients in aerodynamic loading due to planform shape changes using panel method codes were studied. Two procedures were investigated: one computed the aerodynamic perturbation directly; the other computed the aerodynamic loading on the perturbed planform and on the base planform and then differenced these values to obtain the perturbation in loading. It is indicated that computing the perturbed values directly can not be done satisfactorily without proper aerodynamic representation of the pressure singularity at the leading edge of a thin wing. For the alternative procedure, a technique was developed which saves most of the time-consuming computations from a panel method calculation for the base planform. Using this procedure the perturbed loading can be calculated in about one-tenth the time of that for the base solution.

An improved finite-difference analysis of uncoupled vibrations of tapered cantilever beams

NASA Technical Reports Server (NTRS)

Subrahmanyam, K. B.; Kaza, K. R. V.

1983-01-01

An improved finite difference procedure for determining the natural frequencies and mode shapes of tapered cantilever beams undergoing uncoupled vibrations is presented. Boundary conditions are derived in the form of simple recursive relations involving the second order central differences. Results obtained by using the conventional first order central differences and the present second order central differences are compared, and it is observed that the present second order scheme is more efficient than the conventional approach. An important advantage offered by the present approach is that the results converge to exact values rapidly, and thus the extrapolation of the results is not necessary. Consequently, the basic handicap with the classical finite difference method of solution that requires the Richardson's extrapolation procedure is eliminated. Furthermore, for the cases considered herein, the present approach produces consistent lower bound solutions.

Skin-stiffener interface stresses in composite stiffened panels

NASA Technical Reports Server (NTRS)

Wang, J. T. S.; Biggers, S. B.

1984-01-01

A model and solution method for determining the normal and shear stresses in the interface between the skin and the stiffener attached flange were developed. An efficient, analytical solution procedure was developed and incorporated in a sizing code for stiffened panels. The analysis procedure described provides a means to study the effects of material and geometric design parameters on the interface stresses. These stresses include the normal stress, and the shear stresses in both the longitudinal and the transverse directions. The tendency toward skin/stiffener separation may therefore be minimized by choosing appropriate values for the design variables. The most important design variables include the relative bending stiffnesses of the skin and stiffener attached flange, the bending stiffness of the stiffener web, and the flange width. The longitudinal compressive loads in the flange and skin have significant effects on the interface stresses.

Processing Ti-25Ta-5Zr Bioalloy via Anodic Oxidation Procedure at High Voltage

NASA Astrophysics Data System (ADS)

Ionita, Daniela; Grecu, Mihaela; Dilea, Mirela; Cojocaru, Vasile Danut; Demetrescu, Ioana

2011-12-01

The current paper reports the processing of Ti-25Ta-5Zr bioalloy via anodic oxidation in NH4BF4 solution under constant potentiostatic conditions at high voltage to obtain more suitable properties for biomedical application. The maximum efficiency of the procedure is reached at highest applied voltage, when the corrosion rate in Hank's solution is decreased approxomately six times. The topography of the anodic layer has been studied using atomic force microscopy (AFM), and the results indicated that the anodic oxidation process increases the surface roughness. The AFM images indicated a different porosity for the anodized surfaces as well. After anodizing, the hydrophilic character of Ti-25Ta-5Zr samples has increased. A good correlation between corrosion rate obtained from potentiodynamic curves and corrosion rate from ions release analysis was obtained.

Vortex breakdown simulation

NASA Technical Reports Server (NTRS)

Hafez, M.; Ahmad, J.; Kuruvila, G.; Salas, M. D.

1987-01-01

In this paper, steady, axisymmetric inviscid, and viscous (laminar) swirling flows representing vortex breakdown phenomena are simulated using a stream function-vorticity-circulation formulation and two numerical methods. The first is based on an inverse iteration, where a norm of the solution is prescribed and the swirling parameter is calculated as a part of the output. The second is based on direct Newton iterations, where the linearized equations, for all the unknowns, are solved simultaneously by an efficient banded Gaussian elimination procedure. Several numerical solutions for inviscid and viscous flows are demonstrated, followed by a discussion of the results. Some improvements on previous work have been achieved: first order upwind differences are replaced by second order schemes, line relaxation procedure (with linear convergence rate) is replaced by Newton's iterations (which converge quadratically), and Reynolds numbers are extended from 200 up to 1000.

Accurate Monotonicity - Preserving Schemes With Runge-Kutta Time Stepping

NASA Technical Reports Server (NTRS)

Suresh, A.; Huynh, H. T.

1997-01-01

A new class of high-order monotonicity-preserving schemes for the numerical solution of conservation laws is presented. The interface value in these schemes is obtained by limiting a higher-order polynominal reconstruction. The limiting is designed to preserve accuracy near extrema and to work well with Runge-Kutta time stepping. Computational efficiency is enhanced by a simple test that determines whether the limiting procedure is needed. For linear advection in one dimension, these schemes are shown as well as the Euler equations also confirm their high accuracy, good shock resolution, and computational efficiency.

A split finite element algorithm for the compressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Baker, A. J.

1979-01-01

An accurate and efficient numerical solution algorithm is established for solution of the high Reynolds number limit of the Navier-Stokes equations governing the multidimensional flow of a compressible essentially inviscid fluid. Finite element interpolation theory is used within a dissipative formulation established using Galerkin criteria within the Method of Weighted Residuals. An implicit iterative solution algorithm is developed, employing tensor product bases within a fractional steps integration procedure, that significantly enhances solution economy concurrent with sharply reduced computer hardware demands. The algorithm is evaluated for resolution of steep field gradients and coarse grid accuracy using both linear and quadratic tensor product interpolation bases. Numerical solutions for linear and nonlinear, one, two and three dimensional examples confirm and extend the linearized theoretical analyses, and results are compared to competitive finite difference derived algorithms.

Multigrid techniques for the solution of the passive scalar advection-diffusion equation

NASA Technical Reports Server (NTRS)

Phillips, R. E.; Schmidt, F. W.

1985-01-01

The solution of elliptic passive scalar advection-diffusion equations is required in the analysis of many turbulent flow and convective heat transfer problems. The accuracy of the solution may be affected by the presence of regions containing large gradients of the dependent variables. The multigrid concept of local grid refinement is a method for improving the accuracy of the calculations in these problems. In combination with the multilevel acceleration techniques, an accurate and efficient computational procedure is developed. In addition, a robust implementation of the QUICK finite-difference scheme is described. Calculations of a test problem are presented to quantitatively demonstrate the advantages of the multilevel-multigrid method.

Evaluation of Saltzman and phenoldisulfonic acid methods for determining NO/sub x/ in engine exhaust gases

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

Groth, R.H.; Calabro, D.S.

1969-11-01

The two methods normally used for the analysis of NO/sub x/ are the Saltzman and the phenoldisulfonic acid technique. This paper describes an evaluation of these wet chemical methods to determine their practical application to engine exhaust gas analysis. Parameters considered for the Saltzman method included bubbler collection efficiency, NO to NO/sub 2/ conversion efficiency, masking effect of other contaminants usually present in exhaust gases and the time-temperature effect of these contaminants on store developed solutions. Collection efficiency and the effects of contaminants were also considered for the phenoldisulfonic acid method. Test results indicated satisfactory collection and conversion efficiencies formore » the Saltzman method, but contaminants seriously affected the measurement accuracy particularly if the developed solution was stored for a number of hours at room temperature before analysis. Storage at 32/sup 0/F minimized effect. The standard procedure for the phenoldisulfonic acid method gave good results, but the process was found to be too time consuming for routine analysis and measured only total NO/sub x/. 3 references, 9 tables.« less

Solution of elliptic PDEs by fast Poisson solvers using a local relaxation factor

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung

1986-01-01

A large class of two- and three-dimensional, nonseparable elliptic partial differential equations (PDEs) is presently solved by means of novel one-step (D'Yakanov-Gunn) and two-step (accelerated one-step) iterative procedures, using a local, discrete Fourier analysis. In addition to being easily implemented and applicable to a variety of boundary conditions, these procedures are found to be computationally efficient on the basis of the results of numerical comparison with other established methods, which lack the present one's: (1) insensitivity to grid cell size and aspect ratio, and (2) ease of convergence rate estimation by means of the coefficient of the PDE being solved. The two-step procedure is numerically demonstrated to outperform the one-step procedure in the case of PDEs with variable coefficients.

Mixed time integration methods for transient thermal analysis of structures, appendix 5

NASA Technical Reports Server (NTRS)

Liu, W. K.

1982-01-01

Mixed time integration methods for transient thermal analysis of structures are studied. An efficient solution procedure for predicting the thermal behavior of aerospace vehicle structures was developed. A 2D finite element computer program incorporating these methodologies is being implemented. The performance of these mixed time finite element algorithms can then be evaluated employing the proposed example problem.

Investigation of solvent-free MALDI-TOFMS sample preparation methods for the analysis of organometallic and coordination compounds.

PubMed

Hughes, Laura; Wyatt, Mark F; Stein, Bridget K; Brenton, A Gareth

2009-01-15

An investigation of various solvent-free matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS) sample preparation methods for the characterization of organometallic and coordination compounds is described. Such methods are desirable for insoluble materials, compounds that are only soluble in disadvantageous solvents, or complexes that dissociate in solution, all of which present a major "difficulty" to most mass spectrometry techniques. First-row transition metal acetylacetonate complexes, which have been characterized previously by solution preparation MALDI-TOFMS, were used to evaluate the various solvent-free procedures. These procedures comprise two distinct steps: the first being the efficient "solids mixing" (the mixing of sample and matrix), and the second being the effective transfer of the sample/matrix mixture to the MALDI target plate. This investigation shows that vortex mixing is the most efficient first step and that smearing using a microspatula is the most effective second step. In addition, the second step is shown to be much more critical than the first step in obtaining high-quality data. Case studies of truly insoluble materials highlight the importance of these techniques for the wider chemistry community.

A novel procedure for the extraction of protein deposits from soft hydrophilic contact lenses for analysis.

PubMed

Keith, D; Hong, B; Christensen, M

1997-05-01

A quick, simple, and efficient extraction technique was developed for the removal of protein from soft hydrophilic contact lenses. An extraction solvent consisting of a 50:50 mix of 0.2% trifluoroacetic acid and acetonitrile was used to remove protein from in vitro laboratory-deposited and human-worn contact lenses. The protein removed was analyzed using HPLC, bicinchoninic acid (BCA) analysis, and SDS-PAGE gel electreophoresis. Extraction efficiency for lysozyme from laboratory-deposited Group IV lenses was determined to be approximately 100%. Group IV human-worn contact lenses were extracted and analyzed for lysozyme by HPLC and total protein by bicinchoninic acid (BCA) analysis. Groups I, II, III, and IV contact lenses deposited with an artificial tear protein solution and human-worn lenses were extracted and analyzed by SDS-PAGE gel electreophoresis and micro-BCA. The ACN/TFA procedure offers a simple, quick, and efficient extraction technique for removal of protein from contact lenses for subsequent analysis.

Unified treatment of microscopic boundary conditions and efficient algorithms for estimating tangent operators of the homogenized behavior in the computational homogenization method

NASA Astrophysics Data System (ADS)

Nguyen, Van-Dung; Wu, Ling; Noels, Ludovic

2017-03-01

This work provides a unified treatment of arbitrary kinds of microscopic boundary conditions usually considered in the multi-scale computational homogenization method for nonlinear multi-physics problems. An efficient procedure is developed to enforce the multi-point linear constraints arising from the microscopic boundary condition either by the direct constraint elimination or by the Lagrange multiplier elimination methods. The macroscopic tangent operators are computed in an efficient way from a multiple right hand sides linear system whose left hand side matrix is the stiffness matrix of the microscopic linearized system at the converged solution. The number of vectors at the right hand side is equal to the number of the macroscopic kinematic variables used to formulate the microscopic boundary condition. As the resolution of the microscopic linearized system often follows a direct factorization procedure, the computation of the macroscopic tangent operators is then performed using this factorized matrix at a reduced computational time.

Evaluation of Genetic Algorithm Concepts Using Model Problems. Part 2; Multi-Objective Optimization

NASA Technical Reports Server (NTRS)

Holst, Terry L.; Pulliam, Thomas H.

2003-01-01

A genetic algorithm approach suitable for solving multi-objective optimization problems is described and evaluated using a series of simple model problems. Several new features including a binning selection algorithm and a gene-space transformation procedure are included. The genetic algorithm is suitable for finding pareto optimal solutions in search spaces that are defined by any number of genes and that contain any number of local extrema. Results indicate that the genetic algorithm optimization approach is flexible in application and extremely reliable, providing optimal results for all optimization problems attempted. The binning algorithm generally provides pareto front quality enhancements and moderate convergence efficiency improvements for most of the model problems. The gene-space transformation procedure provides a large convergence efficiency enhancement for problems with non-convoluted pareto fronts and a degradation in efficiency for problems with convoluted pareto fronts. The most difficult problems --multi-mode search spaces with a large number of genes and convoluted pareto fronts-- require a large number of function evaluations for GA convergence, but always converge.

Protein alignment algorithms with an efficient backtracking routine on multiple GPUs.

PubMed

Blazewicz, Jacek; Frohmberg, Wojciech; Kierzynka, Michal; Pesch, Erwin; Wojciechowski, Pawel

2011-05-20

Pairwise sequence alignment methods are widely used in biological research. The increasing number of sequences is perceived as one of the upcoming challenges for sequence alignment methods in the nearest future. To overcome this challenge several GPU (Graphics Processing Unit) computing approaches have been proposed lately. These solutions show a great potential of a GPU platform but in most cases address the problem of sequence database scanning and computing only the alignment score whereas the alignment itself is omitted. Thus, the need arose to implement the global and semiglobal Needleman-Wunsch, and Smith-Waterman algorithms with a backtracking procedure which is needed to construct the alignment. In this paper we present the solution that performs the alignment of every given sequence pair, which is a required step for progressive multiple sequence alignment methods, as well as for DNA recognition at the DNA assembly stage. Performed tests show that the implementation, with performance up to 6.3 GCUPS on a single GPU for affine gap penalties, is very efficient in comparison to other CPU and GPU-based solutions. Moreover, multiple GPUs support with load balancing makes the application very scalable. The article shows that the backtracking procedure of the sequence alignment algorithms may be designed to fit in with the GPU architecture. Therefore, our algorithm, apart from scores, is able to compute pairwise alignments. This opens a wide range of new possibilities, allowing other methods from the area of molecular biology to take advantage of the new computational architecture. Performed tests show that the efficiency of the implementation is excellent. Moreover, the speed of our GPU-based algorithms can be almost linearly increased when using more than one graphics card.

Control of PbI2 nucleation and crystallization: towards efficient perovskite solar cells based on vapor-assisted solution process

NASA Astrophysics Data System (ADS)

Yang, Chongqiu; Peng, Yanke; Simon, Terrence; Cui, Tianhong

2018-04-01

Perovskite solar cells (PSC) have outstanding potential to be low-cost, high-efficiency photovoltaic devices. The PSC can be fabricated by numerous techniques; however, the power conversion efficiency (PCE) for the two-step-processed PSC falls behind that of the one-step method. In this work, we investigate the effects of relative humidity (RH) and dry air flow on the lead iodide (PbI2) solution deposition process. We conclude that the quality of the PbI2 film is critical to the development of the perovskite film and the performance of the PSC device. Low RH and dry air flow used during the PbI2 spin coating procedure can increase supersaturation concentration to form denser PbI2 nuclei and a more suitable PbI2 film. Moreover, airflow-assisted PbI2 drying and thermal annealing steps can smooth transformation from the nucleation stage to the crystallization stage.

Efficient model reduction of parametrized systems by matrix discrete empirical interpolation

NASA Astrophysics Data System (ADS)

Negri, Federico; Manzoni, Andrea; Amsallem, David

2015-12-01

In this work, we apply a Matrix version of the so-called Discrete Empirical Interpolation (MDEIM) for the efficient reduction of nonaffine parametrized systems arising from the discretization of linear partial differential equations. Dealing with affinely parametrized operators is crucial in order to enhance the online solution of reduced-order models (ROMs). However, in many cases such an affine decomposition is not readily available, and must be recovered through (often) intrusive procedures, such as the empirical interpolation method (EIM) and its discrete variant DEIM. In this paper we show that MDEIM represents a very efficient approach to deal with complex physical and geometrical parametrizations in a non-intrusive, efficient and purely algebraic way. We propose different strategies to combine MDEIM with a state approximation resulting either from a reduced basis greedy approach or Proper Orthogonal Decomposition. A posteriori error estimates accounting for the MDEIM error are also developed in the case of parametrized elliptic and parabolic equations. Finally, the capability of MDEIM to generate accurate and efficient ROMs is demonstrated on the solution of two computationally-intensive classes of problems occurring in engineering contexts, namely PDE-constrained shape optimization and parametrized coupled problems.

Nash equilibrium and multi criterion aerodynamic optimization

NASA Astrophysics Data System (ADS)

Tang, Zhili; Zhang, Lianhe

2016-06-01

Game theory and its particular Nash Equilibrium (NE) are gaining importance in solving Multi Criterion Optimization (MCO) in engineering problems over the past decade. The solution of a MCO problem can be viewed as a NE under the concept of competitive games. This paper surveyed/proposed four efficient algorithms for calculating a NE of a MCO problem. Existence and equivalence of the solution are analyzed and proved in the paper based on fixed point theorem. Specific virtual symmetric Nash game is also presented to set up an optimization strategy for single objective optimization problems. Two numerical examples are presented to verify proposed algorithms. One is mathematical functions' optimization to illustrate detailed numerical procedures of algorithms, the other is aerodynamic drag reduction of civil transport wing fuselage configuration by using virtual game. The successful application validates efficiency of algorithms in solving complex aerodynamic optimization problem.

Degradation of nicotine in water solutions using a water falling film DBD plasma reactor: direct and indirect treatment

NASA Astrophysics Data System (ADS)

Krupež, Jelena; Kovačević, Vesna V.; Jović, Milica; Roglić, Goran M.; Natić, Maja M.; Kuraica, Milorad M.; Obradović, Bratislav M.; Dojčinović, Biljana P.

2018-05-01

Nicotine degradation efficiency in water solutions was studied using a water falling film dielectric barrier discharge (DBD) reactor. Two different treatments were applied: direct treatment, the recirculation of the solution through a DBD reactor, and indirect treatment, the bubbling of the gas from the DBD through the porous filter into the solution. In a separate experiment, samples spiked with nicotine in double distilled water (ddH2O) and tap water were studied and compared after both treatments. Furthermore, the effects of the homogeneous catalysts, namely, Fe2+ and H2O2, were tested in the direct treatment. Nicotine degradation efficiency was determined using high-performance liquid chromatography. A degradation efficiency of 90% was achieved after the direct treatment catalyzed with Fe2+. In order to analyze the biodegradability, mineralization level, and toxicity of the obtained solutions, after all degradation procedures the values of the following parameters were determined: total organic carbon, chemical oxygen demand, biochemical oxygen demand, and the Artemia salina toxicity test. The results showed that an increase in biodegradability was obtained, after all treatments. A partial nicotine mineralization was achieved and the mortality of the A. salina organism decreased in the treated samples, all of which indicating the effective removal of nicotine and the creation of less toxic solutions. Nicotine degradation products were identified using ultrahigh-performance liquid chromatography coupled with a linear ion trap Orbitrap hybrid mass spectrometer and a simple mechanism for oxidative degradation of nicotine in non-thermal plasma systems is proposed.

An implicit higher-order spatially accurate scheme for solving time dependent flows on unstructured meshes

NASA Astrophysics Data System (ADS)

Tomaro, Robert F.

1998-07-01

The present research is aimed at developing a higher-order, spatially accurate scheme for both steady and unsteady flow simulations using unstructured meshes. The resulting scheme must work on a variety of general problems to ensure the creation of a flexible, reliable and accurate aerodynamic analysis tool. To calculate the flow around complex configurations, unstructured grids and the associated flow solvers have been developed. Efficient simulations require the minimum use of computer memory and computational times. Unstructured flow solvers typically require more computer memory than a structured flow solver due to the indirect addressing of the cells. The approach taken in the present research was to modify an existing three-dimensional unstructured flow solver to first decrease the computational time required for a solution and then to increase the spatial accuracy. The terms required to simulate flow involving non-stationary grids were also implemented. First, an implicit solution algorithm was implemented to replace the existing explicit procedure. Several test cases, including internal and external, inviscid and viscous, two-dimensional, three-dimensional and axi-symmetric problems, were simulated for comparison between the explicit and implicit solution procedures. The increased efficiency and robustness of modified code due to the implicit algorithm was demonstrated. Two unsteady test cases, a plunging airfoil and a wing undergoing bending and torsion, were simulated using the implicit algorithm modified to include the terms required for a moving and/or deforming grid. Secondly, a higher than second-order spatially accurate scheme was developed and implemented into the baseline code. Third- and fourth-order spatially accurate schemes were implemented and tested. The original dissipation was modified to include higher-order terms and modified near shock waves to limit pre- and post-shock oscillations. The unsteady cases were repeated using the higher-order spatially accurate code. The new solutions were compared with those obtained using the second-order spatially accurate scheme. Finally, the increased efficiency of using an implicit solution algorithm in a production Computational Fluid Dynamics flow solver was demonstrated for steady and unsteady flows. A third- and fourth-order spatially accurate scheme has been implemented creating a basis for a state-of-the-art aerodynamic analysis tool.

A three-dimensional, compressible, laminar boundary-layer method for general fuselages. Volume 1: Numerical method

NASA Technical Reports Server (NTRS)

Wie, Yong-Sun

1990-01-01

A procedure for calculating 3-D, compressible laminar boundary layer flow on general fuselage shapes is described. The boundary layer solutions can be obtained in either nonorthogonal 'body oriented' coordinates or orthogonal streamline coordinates. The numerical procedure is 'second order' accurate, efficient and independent of the cross flow velocity direction. Numerical results are presented for several test cases, including a sharp cone, an ellipsoid of revolution, and a general aircraft fuselage at angle of attack. Comparisons are made between numerical results obtained using nonorthogonal curvilinear 'body oriented' coordinates and streamline coordinates.

Scheduling and Separating Departures Crossing Arrival Flows in Shared Airspace

NASA Technical Reports Server (NTRS)

Chevalley, Eric; Parke, Bonny K.; Lee, Paul; Omar, Faisal; Lee, Hwasoo; Beinert, Nancy; Kraut, Joshua M.; Palmer, Everett

2013-01-01

Flight efficiency and reduction of flight delays are among the primary goals of NextGen. In this paper, we propose a concept of shared airspace where departures fly across arrival flows, provided gaps are available in these flows. We have explored solutions to separate departures temporally from arrival traffic and pre-arranged procedures to support controllers' decisions. We conducted a Human-in-the-Loop simulation and assessed the efficiency and safety of 96 departures from the San Jose airport (SJC) climbing across the arrival airspace of the Oakland and San Francisco arrival flows. In our simulation, the SJC tower had a tool to schedule departures to fly across predicted gaps in the arrival flow. When departures were mistimed and separation could not be ensured, a safe but less efficient route was provided to the departures to fly under the arrival flows. A coordination using a point-out procedure allowed the arrival controller to control the SJC departures right after takeoff. We manipulated the accuracy of departure time (accurate vs. inaccurate) as well as which sector took control of the departures after takeoff (departure vs. arrival sector) in a 2x2 full factorial plan. Results show that coordination time decreased and climb efficiency increased when the arrival sector controlled the aircraft right after takeoff. Also, climb efficiency increased when the departure times were more accurate. Coordination was shown to be a critical component of tactical operations in shared airspace. Although workload, coordination, and safety were judged by controllers as acceptable in the simulation, it appears that in the field, controllers would need improved tools and coordination procedures to support this procedure.

Beamforming strategy of ULA and UCA sensor configuration in multistatic passive radar

NASA Astrophysics Data System (ADS)

Hossa, Robert

2009-06-01

A Beamforming Network (BN) concept of Uniform Linear Array (ULA) and Uniform Circular Array (UCA) dipole configuration designed to multistatic passive radar is considered in details. In the case of UCA configuration, computationally efficient procedure of beamspace transformation from UCA to virtual ULA configuration with omnidirectional coverage is utilized. If effect, the idea of the proposed solution is equivalent to the techniques of antenna array factor shaping dedicated to ULA structure. Finally, exemplary results from the computer software simulations of elaborated spatial filtering solutions to reference and surveillance channels are provided and discussed.

Iterated unscented Kalman filter for phase unwrapping of interferometric fringes.

PubMed

Xie, Xianming

2016-08-22

A fresh phase unwrapping algorithm based on iterated unscented Kalman filter is proposed to estimate unambiguous unwrapped phase of interferometric fringes. This method is the result of combining an iterated unscented Kalman filter with a robust phase gradient estimator based on amended matrix pencil model, and an efficient quality-guided strategy based on heap sort. The iterated unscented Kalman filter that is one of the most robust methods under the Bayesian theorem frame in non-linear signal processing so far, is applied to perform simultaneously noise suppression and phase unwrapping of interferometric fringes for the first time, which can simplify the complexity and the difficulty of pre-filtering procedure followed by phase unwrapping procedure, and even can remove the pre-filtering procedure. The robust phase gradient estimator is used to efficiently and accurately obtain phase gradient information from interferometric fringes, which is needed for the iterated unscented Kalman filtering phase unwrapping model. The efficient quality-guided strategy is able to ensure that the proposed method fast unwraps wrapped pixels along the path from the high-quality area to the low-quality area of wrapped phase images, which can greatly improve the efficiency of phase unwrapping. Results obtained from synthetic data and real data show that the proposed method can obtain better solutions with an acceptable time consumption, with respect to some of the most used algorithms.

Aerodynamic optimization by simultaneously updating flow variables and design parameters

NASA Technical Reports Server (NTRS)

Rizk, M. H.

1990-01-01

The application of conventional optimization schemes to aerodynamic design problems leads to inner-outer iterative procedures that are very costly. An alternative approach is presented based on the idea of updating the flow variable iterative solutions and the design parameter iterative solutions simultaneously. Two schemes based on this idea are applied to problems of correcting wind tunnel wall interference and optimizing advanced propeller designs. The first of these schemes is applicable to a limited class of two-design-parameter problems with an equality constraint. It requires the computation of a single flow solution. The second scheme is suitable for application to general aerodynamic problems. It requires the computation of several flow solutions in parallel. In both schemes, the design parameters are updated as the iterative flow solutions evolve. Computations are performed to test the schemes' efficiency, accuracy, and sensitivity to variations in the computational parameters.

Short-Chain Polysaccharide Analysis in Ethanol-Water Solutions.

PubMed

Yan, Xun

2017-07-01

This study demonstrates that short-chain polysaccharides, or oligosaccharides, could be sufficiently separated with hydrophilic interaction LC (HILIC) conditions and quantified by evaporative light-scattering detection (ELSD). The multianalyte calibration approach improved the efficiency of calibrating the nonlinear detector response. The method allowed easy quantification of short-chain carbohydrates. Using the HILIC method, the oligosaccharide solubility and its profile in water/alcohol solutions at room temperature were able to be quantified. The results showed that the polysaccharide solubility in ethanol-water solutions decreased as ethanol content increased. The results also showed oligosaccharides to have minimal solubility in pure ethanol. In a saturated maltodextrin ethanol (80%) solution, oligosaccharide components with a degree of polymerization >12 were practically insoluble and contributed less than 0.2% to the total solute dry weight. The HILIC-ELSD method allows for the identification and quantification of low-MW carbohydrates individually and served as an alternative method to current gel permeation chromatography procedures.

An efficient code for the simulation of nonhydrostatic stratified flow over obstacles

NASA Technical Reports Server (NTRS)

Pihos, G. G.; Wurtele, M. G.

1981-01-01

The physical model and computational procedure of the code is described in detail. The code is validated in tests against a variety of known analytical solutions from the literature and is also compared against actual mountain wave observations. The code will receive as initial input either mathematically idealized or discrete observational data. The form of the obstacle or mountain is arbitrary.

Assessment and Reduction of Model Parametric Uncertainties: A Case Study with A Distributed Hydrological Model

NASA Astrophysics Data System (ADS)

Gan, Y.; Liang, X. Z.; Duan, Q.; Xu, J.; Zhao, P.; Hong, Y.

2017-12-01

The uncertainties associated with the parameters of a hydrological model need to be quantified and reduced for it to be useful for operational hydrological forecasting and decision support. An uncertainty quantification framework is presented to facilitate practical assessment and reduction of model parametric uncertainties. A case study, using the distributed hydrological model CREST for daily streamflow simulation during the period 2008-2010 over ten watershed, was used to demonstrate the performance of this new framework. Model behaviors across watersheds were analyzed by a two-stage stepwise sensitivity analysis procedure, using LH-OAT method for screening out insensitive parameters, followed by MARS-based Sobol' sensitivity indices for quantifying each parameter's contribution to the response variance due to its first-order and higher-order effects. Pareto optimal sets of the influential parameters were then found by the adaptive surrogate-based multi-objective optimization procedure, using MARS model for approximating the parameter-response relationship and SCE-UA algorithm for searching the optimal parameter sets of the adaptively updated surrogate model. The final optimal parameter sets were validated against the daily streamflow simulation of the same watersheds during the period 2011-2012. The stepwise sensitivity analysis procedure efficiently reduced the number of parameters that need to be calibrated from twelve to seven, which helps to limit the dimensionality of calibration problem and serves to enhance the efficiency of parameter calibration. The adaptive MARS-based multi-objective calibration exercise provided satisfactory solutions to the reproduction of the observed streamflow for all watersheds. The final optimal solutions showed significant improvement when compared to the default solutions, with about 65-90% reduction in 1-NSE and 60-95% reduction in |RB|. The validation exercise indicated a large improvement in model performance with about 40-85% reduction in 1-NSE, and 35-90% reduction in |RB|. Overall, this uncertainty quantification framework is robust, effective and efficient for parametric uncertainty analysis, the results of which provide useful information that helps to understand the model behaviors and improve the model simulations.

Integrated Practice Improvement Solutions-Practical Steps to Operating Room Management.

PubMed

Chernov, Mikhail; Pullockaran, Janet; Vick, Angela; Leyvi, Galina; Delphin, Ellise

2016-10-01

Perioperative productivity is a vital concern for surgeons, anesthesiologists, and administrators as the OR is a major source of hospital elective admissions and revenue. Based on elements of existing Practice Improvement Methodologies (PIMs), "Integrated Practice Improvement Solutions" (IPIS) is a practical and simple solution incorporating aspects of multiple management approaches into a single open source framework to increase OR efficiency and productivity by better utilization of existing resources. OR efficiency was measured both before and after IPIS implementation using the total number of cases versus room utilization, OR/anesthesia revenue and staff overtime (OT) costs. Other parameters of efficiency, such as the first case on-time start and the turnover time (TOT) were measured in parallel. IPIS implementation resulted in increased numbers of surgical procedures performed by an average of 10.7%, and OR and anesthesia revenue increases of 18.5% and 6.9%, respectively, with a simultaneous decrease in TOT (15%) and OT for anesthesia staff (26%). The number of perioperative adverse events was stable during the two-year study period which involved a total of 20,378 patients. IPIS, an effective and flexible practice improvement model, was designed to quickly, significantly, and sustainably improve OR efficiency by better utilization of existing resources. Success of its implementation directly correlates with the involvement of and acceptance by the entire OR team and hospital administration.

Physical and chemical stability of proflavine contrast agent solutions for early detection of oral cancer.

PubMed

Kawedia, Jitesh D; Zhang, Yan-Ping; Myers, Alan L; Richards-Kortum, Rebecca R; Kramer, Mark A; Gillenwater, Ann M; Culotta, Kirk S

2016-02-01

Proflavine hemisulfate solution is a fluorescence contrast agent to visualize cell nuclei using high-resolution optical imaging devices such as the high-resolution microendoscope. These devices provide real-time imaging to distinguish between normal versus neoplastic tissue. These images could be helpful for early screening of oral cancer and its precursors and to determine accurate margins of malignant tissue for ablative surgery. Extemporaneous preparation of proflavine solution for these diagnostic procedures requires preparation in batches and long-term storage to improve compounding efficiency in the pharmacy. However, there is a paucity of long-term stability data for proflavine contrast solutions. The physical and chemical stability of 0.01% (10 mg/100 ml) proflavine hemisulfate solutions prepared in sterile water was determined following storage at refrigeration (4-8℃) and room temperature (23℃). Concentrations of proflavine were measured at predetermined time points up to 12 months using a validated stability-indicating high-performance liquid chromatography method. Proflavine solutions stored under refrigeration were physically and chemically stable for at least 12 months with concentrations ranging from 95% to 105% compared to initial concentration. However, in solutions stored at room temperature increased turbidity and particulates were observed in some of the tested vials at 9 months and 12 months with peak particle count reaching 17-fold increase compared to baseline. Solutions stored at room temperature were chemically stable up to six months (94-105%). Proflavine solutions at concentration of 0.01% were chemically and physically stable for at least 12 months under refrigeration. The solution was chemically stable for six months when stored at room temperature. We recommend long-term storage of proflavine solutions under refrigeration prior to diagnostic procedure. © The Author(s) 2014.

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.

Removal of gallium (III) ions from acidic aqueous solution by supercritical carbon dioxide extraction in the green separation process.

PubMed

Chou, Wei-Lung; Wang, Chih-Ta; Yang, Kai-Chiang; Huang, Yen-Hsiang

2008-12-15

Supercritical carbon dioxide extraction, which is a feasible "green" alternative, was applied in this study as a sample pretreatment step for the removal of gallium (III) ions from acidic aqueous solution. The effect of various process parameters, including various chelating agents, extraction pressure and temperature, dimensionless CO(2) volume, the concentration of the chelating agent, and the pH of the solution, governing the efficiency and throughput of the procedure were systematically investigated. The performance of the various chelating agents from different studies indicated that the extraction efficiency of supercritical CO(2) was in the order: thiopyridine (PySH)>thenoyltrifluoroacetone (TTAH)>acetylacetone (AcAcH). The optimal extraction pressure and temperature for the supercritical CO(2) extraction of gallium (III) with chelating agent PySH were found to be 70 degrees C and 3000psi, respectively. The optimum concentration of the chelating agent was found to be 50ppm. A value of 7.5 was selected as the optimum dimensionless CO(2) volume. The optimum pH of the solution for supercritical CO(2) extraction should fall in the range of 2.0-3.0.

Influence of the Numerical Scheme on the Solution Quality of the SWE for Tsunami Numerical Codes: The Tohoku-Oki, 2011Example.

NASA Astrophysics Data System (ADS)

Reis, C.; Clain, S.; Figueiredo, J.; Baptista, M. A.; Miranda, J. M. A.

2015-12-01

Numerical tools turn to be very important for scenario evaluations of hazardous phenomena such as tsunami. Nevertheless, the predictions highly depends on the numerical tool quality and the design of efficient numerical schemes still receives important attention to provide robust and accurate solutions. In this study we propose a comparative study between the efficiency of two volume finite numerical codes with second-order discretization implemented with different method to solve the non-conservative shallow water equations, the MUSCL (Monotonic Upstream-Centered Scheme for Conservation Laws) and the MOOD methods (Multi-dimensional Optimal Order Detection) which optimize the accuracy of the approximation in function of the solution local smoothness. The MUSCL is based on a priori criteria where the limiting procedure is performed before updated the solution to the next time-step leading to non-necessary accuracy reduction. On the contrary, the new MOOD technique uses a posteriori detectors to prevent the solution from oscillating in the vicinity of the discontinuities. Indeed, a candidate solution is computed and corrections are performed only for the cells where non-physical oscillations are detected. Using a simple one-dimensional analytical benchmark, 'Single wave on a sloping beach', we show that the classical 1D shallow-water system can be accurately solved with the finite volume method equipped with the MOOD technique and provide better approximation with sharper shock and less numerical diffusion. For the code validation, we also use the Tohoku-Oki 2011 tsunami and reproduce two DART records, demonstrating that the quality of the solution may deeply interfere with the scenario one can assess. This work is funded by the Portugal-France research agreement, through the research project GEONUM FCT-ANR/MAT-NAN/0122/2012.Numerical tools turn to be very important for scenario evaluations of hazardous phenomena such as tsunami. Nevertheless, the predictions highly depends on the numerical tool quality and the design of efficient numerical schemes still receives important attention to provide robust and accurate solutions. In this study we propose a comparative study between the efficiency of two volume finite numerical codes with second-order discretization implemented with different method to solve the non-conservative shallow water equations, the MUSCL (Monotonic Upstream-Centered Scheme for Conservation Laws) and the MOOD methods (Multi-dimensional Optimal Order Detection) which optimize the accuracy of the approximation in function of the solution local smoothness. The MUSCL is based on a priori criteria where the limiting procedure is performed before updated the solution to the next time-step leading to non-necessary accuracy reduction. On the contrary, the new MOOD technique uses a posteriori detectors to prevent the solution from oscillating in the vicinity of the discontinuities. Indeed, a candidate solution is computed and corrections are performed only for the cells where non-physical oscillations are detected. Using a simple one-dimensional analytical benchmark, 'Single wave on a sloping beach', we show that the classical 1D shallow-water system can be accurately solved with the finite volume method equipped with the MOOD technique and provide better approximation with sharper shock and less numerical diffusion. For the code validation, we also use the Tohoku-Oki 2011 tsunami and reproduce two DART records, demonstrating that the quality of the solution may deeply interfere with the scenario one can assess. This work is funded by the Portugal-France research agreement, through the research project GEONUM FCT-ANR/MAT-NAN/0122/2012.

Efficient Privacy-Aware Record Integration.

PubMed

Kuzu, Mehmet; Kantarcioglu, Murat; Inan, Ali; Bertino, Elisa; Durham, Elizabeth; Malin, Bradley

2013-01-01

The integration of information dispersed among multiple repositories is a crucial step for accurate data analysis in various domains. In support of this goal, it is critical to devise procedures for identifying similar records across distinct data sources. At the same time, to adhere to privacy regulations and policies, such procedures should protect the confidentiality of the individuals to whom the information corresponds. Various private record linkage (PRL) protocols have been proposed to achieve this goal, involving secure multi-party computation (SMC) and similarity preserving data transformation techniques. SMC methods provide secure and accurate solutions to the PRL problem, but are prohibitively expensive in practice, mainly due to excessive computational requirements. Data transformation techniques offer more practical solutions, but incur the cost of information leakage and false matches. In this paper, we introduce a novel model for practical PRL, which 1) affords controlled and limited information leakage, 2) avoids false matches resulting from data transformation. Initially, we partition the data sources into blocks to eliminate comparisons for records that are unlikely to match. Then, to identify matches, we apply an efficient SMC technique between the candidate record pairs. To enable efficiency and privacy, our model leaks a controlled amount of obfuscated data prior to the secure computations. Applied obfuscation relies on differential privacy which provides strong privacy guarantees against adversaries with arbitrary background knowledge. In addition, we illustrate the practical nature of our approach through an empirical analysis with data derived from public voter records.

Developing and physicochemical evaluation of cross-linked electrospun gelatin-glycerol nanofibrous membranes for medical applications

NASA Astrophysics Data System (ADS)

Morsy, Reda; Hosny, Marwa; Reicha, Fikry; Elnimr, Tarek

2017-05-01

This study aims to develop optimal cross-linked electrospun gelatin-glycerol (GEL-GLY) nano-fibrous mats suitable for tissue engineering and wound dressing applications. The optimized procedure involves heating the gelatin and gelatin-glycerol solutions up to 90 °C. The electrospinning process was performed, followed by further cross-linking of electrospun films in a container containing glutaraldehyde (GTA) vapor. The results of X-ray diffraction (XRD), Fourier transformed infrared (FTIR), and Differential thermal analysis (DTA) confirmed that heating gelatin solution up to 90 °C in the presence of glycerol affected the cross-linking efficiency and interactions between GTA molecules and gelatin chains. Scanning Electron Microscope (SEM) analysis showed that GEL-GLY nano-fibrous mats with weight ratios less than or equal (12:3 w/w) exhibited a regular morphology with defect free in addition to increasing the degradation time, cross-linking efficiency, and swelling degree of electrospun gelatin/glycerol.

CONDUCT AN INVESTIGATION OF CIGUATERA POISON

DTIC Science & Technology

Research on ciguatera toxin has resulted in the development of an efficient method for extracting the toxin from the musculature of fish. Procedures...solution and adsorption of ciguatera toxin on silicic ac d. More precise fractionation of ciguatera toxin is accomplished on a silicic acid column...developed in stepwise fashion by ether containing small percentages of methanol.As a method for fractionation and as the basis for a test for ciguatera

A highly efficient flocculant for graphene oxide recycling and its applications

NASA Astrophysics Data System (ADS)

Luan, Ruiying; Pan, Hui; Ma, Yuning; Mao, Lin; Li, Yao; Wang, Dawei; Zhang, Di; Zhu, Shenmin

2018-01-01

In this study, we found a novel and efficient way of recycling graphene oxide (GO) by adding ZnO colloid into the GO solution. GO flocculates immediately when mixed with ZnO colloids. Interestingly, the flocculation would disappear and disperse homogeneously in solution if a certain amount of HCl is added. The study offers a solution to recover and reuse GO throughout its production procedures. More importantly, in the obtained reduced GO/ZnO (rGO/ZnO) flocculant, ZnO nanorods are observed self-assembled into an ordered structure in between the rGO sheets. This prevents the rGO sheets from re-stacking and facilitates the movement of the electrolyte into ZnO if the prepared rGO/ZnO is used as an electrode for supercapacitor. Electrochemical measurements have proved that the rGO/ZnO composite with a weight ratio of 1:1 exhibits a gravimetric specific capacitance of 175 F g-1 and the rGO/ZnO electrode maintains 89.6% of the initial capacitance after 5000 cycles of uses.

Improved performance of mesostructured perovskite solar cells via an anti-solvent method

NASA Astrophysics Data System (ADS)

Hao, Jiabin; Hao, Huiying; Cheng, Feiyu; Li, Jianfeng; Zhang, Haiyu; Dong, Jingjing; Xing, Jie; Liu, Hao; Wu, Jian

2018-06-01

One-step solution process is a facile and widely used procedure to prepare organic-inorganic perovskite materials. However, the poor surface morphology of the films attributed to the uncontrollable nucleation and crystal growth in the process is unfavorable to solar cells. In this study, an anti-solvent treatment during the one-step solution process, in which ethyl acetate (EA) was dropped on the sample during spinning the precursor solution containing CH3NH3Cl, was adopted to fabricate perovskite materials and solar cells. It was found that the morphology of the perovskite film was significantly improved due to the rapid nucleation and slow crystal growth process. The modified process enabled us to fabricate the mesoporous solar cell with power conversion efficiency of 14%, showing an improvement of 40% over the efficiency of 9.7% of the device prepared by conventional one-step method. The controlling effect of annealing time on the morphology, crystal structure and transport properties of perovskite layer as well as the performance of device fabricated by the anti-solvent method were investigated and the possible mechanism was discussed.

Modeling of fatigue crack induced nonlinear ultrasonics using a highly parallelized explicit local interaction simulation approach

NASA Astrophysics Data System (ADS)

Shen, Yanfeng; Cesnik, Carlos E. S.

2016-04-01

This paper presents a parallelized modeling technique for the efficient simulation of nonlinear ultrasonics introduced by the wave interaction with fatigue cracks. The elastodynamic wave equations with contact effects are formulated using an explicit Local Interaction Simulation Approach (LISA). The LISA formulation is extended to capture the contact-impact phenomena during the wave damage interaction based on the penalty method. A Coulomb friction model is integrated into the computation procedure to capture the stick-slip contact shear motion. The LISA procedure is coded using the Compute Unified Device Architecture (CUDA), which enables the highly parallelized supercomputing on powerful graphic cards. Both the explicit contact formulation and the parallel feature facilitates LISA's superb computational efficiency over the conventional finite element method (FEM). The theoretical formulations based on the penalty method is introduced and a guideline for the proper choice of the contact stiffness is given. The convergence behavior of the solution under various contact stiffness values is examined. A numerical benchmark problem is used to investigate the new LISA formulation and results are compared with a conventional contact finite element solution. Various nonlinear ultrasonic phenomena are successfully captured using this contact LISA formulation, including the generation of nonlinear higher harmonic responses. Nonlinear mode conversion of guided waves at fatigue cracks is also studied.

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 1: Theory and numerical solution procedures

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan

1994-01-01

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 1 of a series of three reference publications that describe LENS, provide a detailed guide to its usage, and present many example problems. Part 1 derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved. The accuracy and efficiency of LSENS are examined by means of various test problems, and comparisons with other methods and codes are presented. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Energy sustainability: consumption, efficiency, and ...

EPA Pesticide Factsheets

One of the critical challenges in achieving sustainability is finding a way to meet the energy consumption needs of a growing population in the face of increasing economic prosperity and finite resources. According to ecological footprint computations, the global resource consumption began exceeding planetary supply in 1977 and by 2030, global energy demand, population, and gross domestic product are projected to greatly increase over 1977 levels. With the aim of finding sustainable energy solutions, we present a simple yet rigorous procedure for assessing and counterbalancing the relationship between energy demand, environmental impact, population, GDP, and energy efficiency. Our analyses indicated that infeasible increases in energy efficiency (over 100 %) would be required by 2030 to return to 1977 environmental impact levels and annual reductions (2 and 3 %) in energy demand resulted in physical, yet impractical requirements; hence, a combination of policy and technology approaches is needed to tackle this critical challenge. This work emphasizes the difficulty in moving toward energy sustainability and helps to frame possible solutions useful for policy and management. Based on projected energy consumption, environmental impact, human population, gross domestic product (GDP), and energy efficiency, for this study, we explore the increase in energy-use efficiency and the decrease in energy use intensity required to achieve sustainable environmental impact le

Gaussian basis functions for highly oscillatory scattering wavefunctions

NASA Astrophysics Data System (ADS)

Mant, B. P.; Law, M. M.

2018-04-01

We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

Iterative procedures for space shuttle main engine performance models

NASA Technical Reports Server (NTRS)

Santi, L. Michael

1989-01-01

Performance models of the Space Shuttle Main Engine (SSME) contain iterative strategies for determining approximate solutions to nonlinear equations reflecting fundamental mass, energy, and pressure balances within engine flow systems. Both univariate and multivariate Newton-Raphson algorithms are employed in the current version of the engine Test Information Program (TIP). Computational efficiency and reliability of these procedures is examined. A modified trust region form of the multivariate Newton-Raphson method is implemented and shown to be superior for off nominal engine performance predictions. A heuristic form of Broyden's Rank One method is also tested and favorable results based on this algorithm are presented.

Analytic solution for quasi-Lambertian radiation transfer.

PubMed

Braun, Avi; Gordon, Jeffrey M

2010-02-10

An analytic solution is derived for radiation transfer between flat quasi-Lambertian surfaces of arbitrary orientation, i.e., surfaces that radiate in a Lambertian fashion but within a numerical aperture smaller than unity. These formulas obviate the need for ray trace simulations and provide exact, physically transparent results. Illustrative examples that capture the salient features of the flux maps and the efficiency of flux transfer are presented for a few configurations of practical interest. There is also a fundamental reciprocity relation for quasi-Lambertian exchange, akin to the reciprocity theorem for fully Lambertian surfaces. Applications include optical fiber coupling, fiber-optic biomedical procedures, and solar concentrators.

Capability of the Maximax&Maximin selection operator in the evolutionary algorithm for a nurse scheduling problem

NASA Astrophysics Data System (ADS)

Ramli, Razamin; Tein, Lim Huai

2016-08-01

A good work schedule can improve hospital operations by providing better coverage with appropriate staffing levels in managing nurse personnel. Hence, constructing the best nurse work schedule is the appropriate effort. In doing so, an improved selection operator in the Evolutionary Algorithm (EA) strategy for a nurse scheduling problem (NSP) is proposed. The smart and efficient scheduling procedures were considered. Computation of the performance of each potential solution or schedule was done through fitness evaluation. The best so far solution was obtained via special Maximax&Maximin (MM) parent selection operator embedded in the EA, which fulfilled all constraints considered in the NSP.

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

Novel Binders and Methods for Agglomeration of Ore

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

S. K. Kawatra; T. C. Eisele; K. A. Lewandowski

2006-09-30

Heap leaching is one of the methods being used to recover metal from low grade ore deposits. The main problem faced during heap leaching is the migration of fine grained particles through the heap, forming impermeable beds which result in poor solution flow. The poor solution flow leads to less contact between the leach solution and the ore, resulting in low recovery rates. Agglomeration of ore into coarse, porous masses prevents fine particles from migrating and clogging the spaces and channels between the larger ore particles. Currently, there is one facility in the United States which uses agglomeration. This operationmore » agglomerates their ore using leach solution (raffinate), but is still experiencing undesirable metal recovery from the heaps due to agglomerate breakdown. The use of a binder, in addition to the leach solution, during agglomeration would help to produce stronger agglomerates that did not break down during processing. However, there are no known binders that will work satisfactorily in the acidic environment of a heap, at a reasonable cost. As a result, operators of many facilities see a large loss of process efficiency due to their inability to take advantage of agglomeration. Increasing copper recovery in heap leaching by the use of binders and agglomeration would result in a significant decrease in the amount of energy consumed. Assuming that 70% of all the leaching heaps would convert to using agglomeration technology, as much as 1.64*10{sup 12} BTU per year would be able to be saved if a 25% increase in copper recovery was experienced, which is equivalent to saving approximately 18% of the energy currently being used in leaching heaps. For every week a leach cycle was decreased, a savings of as much as 1.23*10{sup 11} BTU per week would result. This project has identified several acid-resistant binders and agglomeration procedures. These binders and experimental procedures will be able to be used for use in improving the energy efficiency of heap leaching.« less

Diffeomorphic demons: efficient non-parametric image registration.

PubMed

Vercauteren, Tom; Pennec, Xavier; Perchant, Aymeric; Ayache, Nicholas

2009-03-01

We propose an efficient non-parametric diffeomorphic image registration algorithm based on Thirion's demons algorithm. In the first part of this paper, we show that Thirion's demons algorithm can be seen as an optimization procedure on the entire space of displacement fields. We provide strong theoretical roots to the different variants of Thirion's demons algorithm. This analysis predicts a theoretical advantage for the symmetric forces variant of the demons algorithm. We show on controlled experiments that this advantage is confirmed in practice and yields a faster convergence. In the second part of this paper, we adapt the optimization procedure underlying the demons algorithm to a space of diffeomorphic transformations. In contrast to many diffeomorphic registration algorithms, our solution is computationally efficient since in practice it only replaces an addition of displacement fields by a few compositions. Our experiments show that in addition to being diffeomorphic, our algorithm provides results that are similar to the ones from the demons algorithm but with transformations that are much smoother and closer to the gold standard, available in controlled experiments, in terms of Jacobians.

Modal Analysis for Grid Operation

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

MANGO software is to provide a solution for improving small signal stability of power systems through adjusting operator-controllable variables using PMU measurement. System oscillation problems are one of the major threats to the grid stability and reliability in California and the Western Interconnection. These problems result in power fluctuations, lower grid operation efficiency, and may even lead to large-scale grid breakup and outages. This MANGO software aims to solve this problem by automatically generating recommended operation procedures termed Modal Analysis for Grid Operation (MANGO) to improve damping of inter-area oscillation modes. The MANGO procedure includes three steps: recognizing small signalmore » stability problems, implementing operating point adjustment using modal sensitivity, and evaluating the effectiveness of the adjustment. The MANGO software package is designed to help implement the MANGO procedure.« less

Partitioning strategy for efficient nonlinear finite element dynamic analysis on multiprocessor computers

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Peters, Jeanne M.

1989-01-01

A computational procedure is presented for the nonlinear dynamic analysis of unsymmetric structures on vector multiprocessor systems. The procedure is based on a novel hierarchical partitioning strategy in which the response of the unsymmetric and antisymmetric response vectors (modes), each obtained by using only a fraction of the degrees of freedom of the original finite element model. The three key elements of the procedure which result in high degree of concurrency throughout the solution process are: (1) mixed (or primitive variable) formulation with independent shape functions for the different fields; (2) operator splitting or restructuring of the discrete equations at each time step to delineate the symmetric and antisymmetric vectors constituting the response; and (3) two level iterative process for generating the response of the structure. An assessment is made of the effectiveness of the procedure on the CRAY X-MP/4 computers.

Multiple-grid convergence acceleration of viscous and inviscid flow computations

NASA Technical Reports Server (NTRS)

Johnson, G. M.

1983-01-01

A multiple-grid algorithm for use in efficiently obtaining steady solution to the Euler and Navier-Stokes equations is presented. The convergence of a simple, explicit fine-grid solution procedure is accelerated on a sequence of successively coarser grids by a coarse-grid information propagation method which rapidly eliminates transients from the computational domain. This use of multiple-gridding to increase the convergence rate results in substantially reduced work requirements for the numerical solution of a wide range of flow problems. Computational results are presented for subsonic and transonic inviscid flows and for laminar and turbulent, attached and separated, subsonic viscous flows. Work reduction factors as large as eight, in comparison to the basic fine-grid algorithm, were obtained. Possibilities for further performance improvement are discussed.

An efficient numerical algorithm for transverse impact problems

NASA Technical Reports Server (NTRS)

Sankar, B. V.; Sun, C. T.

1985-01-01

Transverse impact problems in which the elastic and plastic indentation effects are considered, involve a nonlinear integral equation for the contact force, which, in practice, is usually solved by an iterative scheme with small increments in time. In this paper, a numerical method is proposed wherein the iterations of the nonlinear problem are separated from the structural response computations. This makes the numerical procedures much simpler and also efficient. The proposed method is applied to some impact problems for which solutions are available, and they are found to be in good agreement. The effect of the magnitude of time increment on the results is also discussed.

A route for efficient non-resonance cloaking by using multilayer dielectric coating

NASA Astrophysics Data System (ADS)

Wang, Xiaohui; Semouchkina, Elena

2013-03-01

An approach for designing transmission cloaks by using ordinary dielectrics instead of meta- and plasmonic materials is proposed and demonstrated by the development of a multi-layer cloak for hiding cylindrical objects larger than the wavelengths of incident radiation. The parameters of the cloak layers were found by using the Genetic Algorithm-based optimization procedure, which employed the reciprocal of total scattering cross width of the cloaked target, derived from the solution of the Helmholtz equation, as the fitness function. The proposed cloak demonstrated better cloaking efficiency than did a similarly sized metamaterial cloak designed by using the transformation optics relations.

A Two-Stage Procedure Toward the Efficient Implementation of PANS and Other Hybrid Turbulence Models

NASA Technical Reports Server (NTRS)

Abdol-Hamid, Khaled S.; Girimaji, Sharath S.

2004-01-01

The main objective of this article is to introduce and to show the implementation of a novel two-stage procedure to efficiently estimate the level of scale resolution possible for a given flow on a given grid for Partial Averaged Navier-Stokes (PANS) and other hybrid models. It has been found that the prescribed scale resolution can play a major role in obtaining accurate flow solutions. The first step is to solve the unsteady or steady Reynolds Averaged Navier-Stokes (URANS/RANS) equations. From this preprocessing step, the turbulence length-scale field is obtained. This is then used to compute the characteristic length-scale ratio between the turbulence scale and the grid spacing. Based on this ratio, we can assess the finest scale resolution that a given grid for a given flow can support. Along with other additional criteria, we are able to analytically identify the appropriate hybrid solver resolution for different regions of the flow. This procedure removes the grid dependency issue that affects the results produced by different hybrid procedures in solving unsteady flows. The formulation, implementation methodology, and validation example are presented. We implemented this capability in a production Computational Fluid Dynamics (CFD) code, PAB3D, for the simulation of unsteady flows.

On Applicability of Network Coding Technique for 6LoWPAN-based Sensor Networks.

PubMed

Amanowicz, Marek; Krygier, Jaroslaw

2018-05-26

In this paper, the applicability of the network coding technique in 6LoWPAN-based sensor multihop networks is examined. The 6LoWPAN is one of the standards proposed for the Internet of Things architecture. Thus, we can expect the significant growth of traffic in such networks, which can lead to overload and decrease in the sensor network lifetime. The authors propose the inter-session network coding mechanism that can be implemented in resource-limited sensor motes. The solution reduces the overall traffic in the network, and in consequence, the energy consumption is decreased. Used procedures take into account deep header compressions of the native 6LoWPAN packets and the hop-by-hop changes of the header structure. Applied simplifications reduce signaling traffic that is typically occurring in network coding deployments, keeping the solution usefulness for the wireless sensor networks with limited resources. The authors validate the proposed procedures in terms of end-to-end packet delay, packet loss ratio, traffic in the air, total energy consumption, and network lifetime. The solution has been tested in a real wireless sensor network. The results confirm the efficiency of the proposed technique, mostly in delay-tolerant sensor networks.

Chapter 5: Organizational structures suited to ISPRM's evolving role as an international non-governmental organization in official relation with the world health organization.

PubMed

von Groote, Per M; Reinhardt, Jan D; Gutenbrunner, Christoph; DeLisa, Joel A; Melvin, John L; Bickenbach, Jerome E; Stucki, Gerold

2009-09-01

International non-governmental organizations (NGOs) in official relation with the World Health Organization (WHO) face organizational challenges against the background of legitimate representation of their membership and accountable procedures within the organization. Moreover, challenges arise in the light of such an international NGO's civil societal mandate to help reach the "health-for-all" goals as defined by WHO and to facilitate the implementation of the United Nations (UN) Convention on the Rights of Persons with Disabilities. The objective of this paper is to examine how such an international NGO using the International Society of Physical and Rehabilitation Medicine (ISPRM) as a case in point can address these challenges. The specific aims are to analyse ISPRM's structures and procedures of internal organs and external relations and to develop solutions. These possible solutions will be presented as internal organizational scenarios and a yearly schedule of meetings closely aligned to that of WHO to facilitate an efficient internal and external interaction.

Ontology-based vector space model and fuzzy query expansion to retrieve knowledge on medical computational problem solutions.

PubMed

Bratsas, Charalampos; Koutkias, Vassilis; Kaimakamis, Evangelos; Bamidis, Panagiotis; Maglaveras, Nicos

2007-01-01

Medical Computational Problem (MCP) solving is related to medical problems and their computerized algorithmic solutions. In this paper, an extension of an ontology-based model to fuzzy logic is presented, as a means to enhance the information retrieval (IR) procedure in semantic management of MCPs. We present herein the methodology followed for the fuzzy expansion of the ontology model, the fuzzy query expansion procedure, as well as an appropriate ontology-based Vector Space Model (VSM) that was constructed for efficient mapping of user-defined MCP search criteria and MCP acquired knowledge. The relevant fuzzy thesaurus is constructed by calculating the simultaneous occurrences of terms and the term-to-term similarities derived from the ontology that utilizes UMLS (Unified Medical Language System) concepts by using Concept Unique Identifiers (CUI), synonyms, semantic types, and broader-narrower relationships for fuzzy query expansion. The current approach constitutes a sophisticated advance for effective, semantics-based MCP-related IR.

Hofmeister series salts enhance purification of plasmid DNA by non-ionic detergents

PubMed Central

Lezin, George; Kuehn, Michael R.; Brunelli, Luca

2011-01-01

Ion-exchange chromatography is the standard technique used for plasmid DNA purification, an essential molecular biology procedure. Non-ionic detergents (NIDs) have been used for plasmid DNA purification, but it is unclear whether Hofmeister series salts (HSS) change the solubility and phase separation properties of specific NIDs, enhancing plasmid DNA purification. After scaling-up NID-mediated plasmid DNA isolation, we established that NIDs in HSS solutions minimize plasmid DNA contamination with protein. In addition, large-scale NID/HSS solutions eliminated LPS contamination of plasmid DNA more effectively than Qiagen ion-exchange columns. Large-scale NID isolation/NID purification generated increased yields of high quality DNA compared to alkali isolation/column purification. This work characterizes how HSS enhance NID-mediated plasmid DNA purification, and demonstrates that NID phase transition is not necessary for LPS removal from plasmid DNA. Specific NIDs such as IGEPAL CA-520 can be utilized for rapid, inexpensive and efficient laboratory-based large-scale plasmid DNA purification, outperforming Qiagen-based column procedures. PMID:21351074

[Display technologies for augmented reality in medical applications].

PubMed

Eck, Ulrich; Winkler, Alexander

2018-04-01

One of the main challenges for modern surgery is the effective use of the many available imaging modalities and diagnostic methods. Augmented reality systems can be used in the future to blend patient and planning information into the view of surgeons, which can improve the efficiency and safety of interventions. In this article we present five visualization methods to integrate augmented reality displays into medical procedures and the advantages and disadvantages are explained. Based on an extensive literature review the various existing approaches for integration of augmented reality displays into medical procedures are divided into five categories and the most important research results for each approach are presented. A large number of mixed and augmented reality solutions for medical interventions have been developed as research prototypes; however, only very few systems have been tested on patients. In order to integrate mixed and augmented reality displays into medical practice, highly specialized solutions need to be developed. Such systems must comply with the requirements with respect to accuracy, fidelity, ergonomics and seamless integration into the surgical workflow.

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.

Robust and efficient overset grid assembly for partitioned unstructured meshes

NASA Astrophysics Data System (ADS)

Roget, Beatrice; Sitaraman, Jayanarayanan

2014-03-01

This paper presents a method to perform efficient and automated Overset Grid Assembly (OGA) on a system of overlapping unstructured meshes in a parallel computing environment where all meshes are partitioned into multiple mesh-blocks and processed on multiple cores. The main task of the overset grid assembler is to identify, in parallel, among all points in the overlapping mesh system, at which points the flow solution should be computed (field points), interpolated (receptor points), or ignored (hole points). Point containment search or donor search, an algorithm to efficiently determine the cell that contains a given point, is the core procedure necessary for accomplishing this task. Donor search is particularly challenging for partitioned unstructured meshes because of the complex irregular boundaries that are often created during partitioning.

Non-parametric diffeomorphic image registration with the demons algorithm.

PubMed

Vercauteren, Tom; Pennec, Xavier; Perchant, Aymeric; Ayache, Nicholas

2007-01-01

We propose a non-parametric diffeomorphic image registration algorithm based on Thirion's demons algorithm. The demons algorithm can be seen as an optimization procedure on the entire space of displacement fields. The main idea of our algorithm is to adapt this procedure to a space of diffeomorphic transformations. In contrast to many diffeomorphic registration algorithms, our solution is computationally efficient since in practice it only replaces an addition of free form deformations by a few compositions. Our experiments show that in addition to being diffeomorphic, our algorithm provides results that are similar to the ones from the demons algorithm but with transformations that are much smoother and closer to the true ones in terms of Jacobians.

Example of a Human Factors Engineering approach to a medication administration work system: potential impact on patient safety.

PubMed

Beuscart-Zéphir, Marie-Catherine; Pelayo, Sylvia; Bernonville, Stéphanie

2010-04-01

The objectives of this paper are: In this approach, the implementation of such a complex IT solution is considered a major redesign of the work system. The paper describes the Human Factor (HF) tasks embedded in the project lifecycle: (1) analysis and modelling of the current work system and usability assessment of the medication CPOE solution; (2) HF recommendations for work re-design and usability recommendations for IT system re-engineering both aiming at a safer and more efficient work situation. Standard ethnographic methods were used to support the analysis of the current work system and work situations, coupled with cognitive task analysis methods and documents review. Usability inspection (heuristic evaluation) and both in-lab (simulated tasks) and on-site (real tasks) usability tests were performed for the evaluation of the CPOE candidate. Adapted software engineering models were used in combination with usual textual descriptions, tasks models and mock-ups to support the recommendations for work and product re-design. The analysis of the work situations identified different work organisations and procedures across the hospital's departments. The most important differences concerned the doctor-nurse communications and cooperation modes and the procedures for preparing and administering the medications. The assessment of the medication CPOE functions uncovered a number of usability problems including severe ones leading to impossible to detect or to catch errors. Models of the actual and possible distribution of tasks and roles were used to support decision making in the work design process. The results of the usability assessment were translated into requirements to support the necessary re-engineering of the IT application. The HFE approach to medication CPOE efficiently identifies and distinguishes currently unsafe or uncomfortable work situations that could obviously benefit from an IT solution from other work situations incorporating efficient work procedures that might be impaired by the implementation of the CPOE. In this context, a careful redesign of the work situation and of the entire work system is necessary to actually benefit from the installation of the product in terms of patient safety and human performances. In parallel, a usability assessment of the product to be implemented is mandatory to identify potentially dangerous usability flaws and to fix them before the installation. (c) 2009 Elsevier Ireland Ltd. All rights reserved.

A multi-layer discrete-ordinate method for vector radiative transfer in a vertically-inhomogeneous, emitting and scattering atmosphere. I - Theory. II - Application

NASA Technical Reports Server (NTRS)

Weng, Fuzhong

1992-01-01

A theory is developed for discretizing the vector integro-differential radiative transfer equation including both solar and thermal radiation. A complete solution and boundary equations are obtained using the discrete-ordinate method. An efficient numerical procedure is presented for calculating the phase matrix and achieving computational stability. With natural light used as a beam source, the Stokes parameters from the model proposed here are compared with the analytical solutions of Chandrasekhar (1960) for a Rayleigh scattering atmosphere. The model is then applied to microwave frequencies with a thermal source, and the brightness temperatures are compared with those from Stamnes'(1988) radiative transfer model.

Hybrid-dual-fourier tomographic algorithm for a fast three-dimensionial optical image reconstruction in turbid media

NASA Technical Reports Server (NTRS)

Alfano, Robert R. (Inventor); Cai, Wei (Inventor)

2007-01-01

A reconstruction technique for reducing computation burden in the 3D image processes, wherein the reconstruction procedure comprises an inverse and a forward model. The inverse model uses a hybrid dual Fourier algorithm that combines a 2D Fourier inversion with a 1D matrix inversion to thereby provide high-speed inverse computations. The inverse algorithm uses a hybrid transfer to provide fast Fourier inversion for data of multiple sources and multiple detectors. The forward model is based on an analytical cumulant solution of a radiative transfer equation. The accurate analytical form of the solution to the radiative transfer equation provides an efficient formalism for fast computation of the forward model.

A comparison of numerical methods for the prediction of two-dimensional heat transfer in an electrothermal deicer pad. M.S. Thesis. Final Contractor Report

NASA Technical Reports Server (NTRS)

Wright, William B.

1988-01-01

Transient, numerical simulations of the deicing of composite aircraft components by electrothermal heating have been performed in a 2-D rectangular geometry. Seven numerical schemes and four solution methods were used to find the most efficient numerical procedure for this problem. The phase change in the ice was simulated using the Enthalpy method along with the Method for Assumed States. Numerical solutions illustrating deicer performance for various conditions are presented. Comparisons are made with previous numerical models and with experimental data. The simulation can also be used to solve a variety of other heat conduction problems involving composite bodies.

An efficient and general numerical method to compute steady uniform vortices

NASA Astrophysics Data System (ADS)

Luzzatto-Fegiz, Paolo; Williamson, Charles H. K.

2011-07-01

Steady uniform vortices are widely used to represent high Reynolds number flows, yet their efficient computation still presents some challenges. Existing Newton iteration methods become inefficient as the vortices develop fine-scale features; in addition, these methods cannot, in general, find solutions with specified Casimir invariants. On the other hand, available relaxation approaches are computationally inexpensive, but can fail to converge to a solution. In this paper, we overcome these limitations by introducing a new discretization, based on an inverse-velocity map, which radically increases the efficiency of Newton iteration methods. In addition, we introduce a procedure to prescribe Casimirs and remove the degeneracies in the steady vorticity equation, thus ensuring convergence for general vortex configurations. We illustrate our methodology by considering several unbounded flows involving one or two vortices. Our method enables the computation, for the first time, of steady vortices that do not exhibit any geometric symmetry. In addition, we discover that, as the limiting vortex state for each flow is approached, each family of solutions traces a clockwise spiral in a bifurcation plot consisting of a velocity-impulse diagram. By the recently introduced "IVI diagram" stability approach [Phys. Rev. Lett. 104 (2010) 044504], each turn of this spiral is associated with a loss of stability for the steady flows. Such spiral structure is suggested to be a universal feature of steady, uniform-vorticity flows.

Study and optimization of the ultrasound-enhanced cleaning of an ultrafiltration ceramic membrane through a combined experimental-statistical approach.

PubMed

Alventosa-deLara, E; Barredo-Damas, S; Alcaina-Miranda, M I; Iborra-Clar, M I

2014-05-01

Membrane fouling is one of the main drawbacks of ultrafiltration technology during the treatment of dye-containing effluents. Therefore, the optimization of the membrane cleaning procedure is essential to improve the overall efficiency. In this work, a study of the factors affecting the ultrasound-assisted cleaning of an ultrafiltration ceramic membrane fouled by dye particles was carried out. The effect of transmembrane pressure (0.5, 1.5, 2.5 bar), cross-flow velocity (1, 2, 3 ms(-1)), ultrasound power level (40%, 70%, 100%) and ultrasound frequency mode (37, 80 kHz and mixed wave) on the cleaning efficiency was evaluated. The lowest frequency showed better results, although the best cleaning performance was obtained using the mixed wave mode. A Box-Behnken Design was used to find the optimal conditions for the cleaning procedure through a response surface study. The optimal operating conditions leading to the maximum cleaning efficiency predicted (32.19%) were found to be 1.1 bar, 3 ms(-1) and 100% of power level. Finally, the optimized response was compared to the efficiency of a chemical cleaning with NaOH solution, with and without the use of ultrasound. By using NaOH, cleaning efficiency nearly triples, and it improves up to 25% by adding ultrasound. Copyright © 2013 Elsevier B.V. All rights reserved.

Phaser.MRage: automated molecular replacement

PubMed Central

Bunkóczi, Gábor; Echols, Nathaniel; McCoy, Airlie J.; Oeffner, Robert D.; Adams, Paul D.; Read, Randy J.

2013-01-01

Phaser.MRage is a molecular-replacement automation framework that implements a full model-generation workflow and provides several layers of model exploration to the user. It is designed to handle a large number of models and can distribute calculations efficiently onto parallel hardware. In addition, phaser.MRage can identify correct solutions and use this information to accelerate the search. Firstly, it can quickly score all alternative models of a component once a correct solution has been found. Secondly, it can perform extensive analysis of identified solutions to find protein assemblies and can employ assembled models for subsequent searches. Thirdly, it is able to use a priori assembly information (derived from, for example, homologues) to speculatively place and score molecules, thereby customizing the search procedure to a certain class of protein molecule (for example, antibodies) and incorporating additional biological information into molecular replacement. PMID:24189240

Phaser.MRage: automated molecular replacement.

PubMed

Bunkóczi, Gábor; Echols, Nathaniel; McCoy, Airlie J; Oeffner, Robert D; Adams, Paul D; Read, Randy J

2013-11-01

Phaser.MRage is a molecular-replacement automation framework that implements a full model-generation workflow and provides several layers of model exploration to the user. It is designed to handle a large number of models and can distribute calculations efficiently onto parallel hardware. In addition, phaser.MRage can identify correct solutions and use this information to accelerate the search. Firstly, it can quickly score all alternative models of a component once a correct solution has been found. Secondly, it can perform extensive analysis of identified solutions to find protein assemblies and can employ assembled models for subsequent searches. Thirdly, it is able to use a priori assembly information (derived from, for example, homologues) to speculatively place and score molecules, thereby customizing the search procedure to a certain class of protein molecule (for example, antibodies) and incorporating additional biological information into molecular replacement.

Estimation procedure of the efficiency of the heat network segment

NASA Astrophysics Data System (ADS)

Polivoda, F. A.; Sokolovskii, R. I.; Vladimirov, M. A.; Shcherbakov, V. P.; Shatrov, L. A.

2017-07-01

An extensive city heat network contains many segments, and each segment operates with different efficiency of heat energy transfer. This work proposes an original technical approach; it involves the evaluation of the energy efficiency function of the heat network segment and interpreting of two hyperbolic functions in the form of the transcendental equation. In point of fact, the problem of the efficiency change of the heat network depending on the ambient temperature was studied. Criteria dependences used for evaluation of the set segment efficiency of the heat network and finding of the parameters for the most optimal control of the heat supply process of the remote users were inferred with the help of the functional analysis methods. Generally, the efficiency function of the heat network segment is interpreted by the multidimensional surface, which allows illustrating it graphically. It was shown that the solution of the inverse problem is possible as well. Required consumption of the heating agent and its temperature may be found by the set segment efficient and ambient temperature; requirements to heat insulation and pipe diameters may be formulated as well. Calculation results were received in a strict analytical form, which allows investigating the found functional dependences for availability of the extremums (maximums) under the set external parameters. A conclusion was made that it is expedient to apply this calculation procedure in two practically important cases: for the already made (built) network, when the change of the heat agent consumption and temperatures in the pipe is only possible, and for the projecting (under construction) network, when introduction of changes into the material parameters of the network is possible. This procedure allows clarifying diameter and length of the pipes, types of insulation, etc. Length of the pipes may be considered as the independent parameter for calculations; optimization of this parameter is made in accordance with other, economical, criteria for the specific project.

High throughput sequencing analysis of RNA libraries reveals the influences of initial library and PCR methods on SELEX efficiency.

PubMed

Takahashi, Mayumi; Wu, Xiwei; Ho, Michelle; Chomchan, Pritsana; Rossi, John J; Burnett, John C; Zhou, Jiehua

2016-09-22

The systemic evolution of ligands by exponential enrichment (SELEX) technique is a powerful and effective aptamer-selection procedure. However, modifications to the process can dramatically improve selection efficiency and aptamer performance. For example, droplet digital PCR (ddPCR) has been recently incorporated into SELEX selection protocols to putatively reduce the propagation of byproducts and avoid selection bias that result from differences in PCR efficiency of sequences within the random library. However, a detailed, parallel comparison of the efficacy of conventional solution PCR versus the ddPCR modification in the RNA aptamer-selection process is needed to understand effects on overall SELEX performance. In the present study, we took advantage of powerful high throughput sequencing technology and bioinformatics analysis coupled with SELEX (HT-SELEX) to thoroughly investigate the effects of initial library and PCR methods in the RNA aptamer identification. Our analysis revealed that distinct "biased sequences" and nucleotide composition existed in the initial, unselected libraries purchased from two different manufacturers and that the fate of the "biased sequences" was target-dependent during selection. Our comparison of solution PCR- and ddPCR-driven HT-SELEX demonstrated that PCR method affected not only the nucleotide composition of the enriched sequences, but also the overall SELEX efficiency and aptamer efficacy.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; Govind, Niranjan; Yang, Chao

2017-12-01

We present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.

Sequential extractions of selenium soils from Stewart Lake: total selenium and speciation measurements with ICP-MS detection.

PubMed

Ponce de León, Claudia A; DeNicola, Katie; Montes Bayón, Maria; Caruso, Joseph A

2003-06-01

Different techniques have been employed in order to evaluate the most efficient procedure for the extraction of selenium from soil as required for speciation. Selenium contaminated sediments from Stewart Lake Wetland, California were used. A strong acid mineralization of the samples gives quantitative total selenium, which is then used to estimate recoveries for the milder extraction methods. The different extraction methodologies involve the sequential use of water, buffer (phosphate, pH 7) and either acid solution (e.g. HNO3 or HCl) or basic solutions (e.g. ammonium acetate, NaOH or TMAH). Pyrophosphate extraction was also evaluated and showed that selenium was not associated with humic acids. The extractants were subsequently analyzed by size exclusion chromatography (SEC) with UV (254 and 400 nm) and on-line ICP-MS detection; anion exchange chromatography, and ion-pair reversed phase chromatography with ICP-MS detection. For sequential extractions the extraction efficiencies showed that the basic extractions were more efficient than the acidic. The difference between the acidic and the basic extraction efficiency is carried to the sulfite extraction, suggesting that whatever is not extracted by the acid is subsequently extracted by the sulfite. The species identified with the different chromatographies were selenate, selenite, elemental selenium and some organic selenium.

High throughput sequencing analysis of RNA libraries reveals the influences of initial library and PCR methods on SELEX efficiency

PubMed Central

Takahashi, Mayumi; Wu, Xiwei; Ho, Michelle; Chomchan, Pritsana; Rossi, John J.; Burnett, John C.; Zhou, Jiehua

2016-01-01

The systemic evolution of ligands by exponential enrichment (SELEX) technique is a powerful and effective aptamer-selection procedure. However, modifications to the process can dramatically improve selection efficiency and aptamer performance. For example, droplet digital PCR (ddPCR) has been recently incorporated into SELEX selection protocols to putatively reduce the propagation of byproducts and avoid selection bias that result from differences in PCR efficiency of sequences within the random library. However, a detailed, parallel comparison of the efficacy of conventional solution PCR versus the ddPCR modification in the RNA aptamer-selection process is needed to understand effects on overall SELEX performance. In the present study, we took advantage of powerful high throughput sequencing technology and bioinformatics analysis coupled with SELEX (HT-SELEX) to thoroughly investigate the effects of initial library and PCR methods in the RNA aptamer identification. Our analysis revealed that distinct “biased sequences” and nucleotide composition existed in the initial, unselected libraries purchased from two different manufacturers and that the fate of the “biased sequences” was target-dependent during selection. Our comparison of solution PCR- and ddPCR-driven HT-SELEX demonstrated that PCR method affected not only the nucleotide composition of the enriched sequences, but also the overall SELEX efficiency and aptamer efficacy. PMID:27652575

Selecting enhancing solutions for electrokinetic remediation of dredged sediments polluted with fuel.

PubMed

Rozas, F; Castellote, M

2015-03-15

In this paper a procedure for selecting the enhancing solutions in electrokinetic remediation experiments is proposed. For this purpose, dredged marine sediment was contaminated with fuel, and a total of 22 different experimental conditions were tested, analysing the influence of different enhancing solutions by using three commercial non-ionic surfactants, one bio-surfactant, one chelating agent, and one weak acid. Characterisation, microelectrophoretic and electrokinetic remediation trials were carried out. The results are explained on the basis of the interactions between the fuel, the enhancing electrolytes and the matrix. For one specific system, the electrophoretic zeta potential, (ζ), of the contaminated matrix in the solution was found to be related to the electroosmotic averaged ζ in the experiment and not to the efficiency in the extraction. This later was correlated to a parameter accounting for both contributions, the contaminant and the enhancing solution, calculated on the basis of differences in the electrophoretic ζ in different conditions which has allowed to propose a methodology for selection of enhancing solutions. Copyright © 2014 Elsevier Ltd. All rights reserved.

An efficient and accurate solution methodology for bilevel multi-objective programming problems using a hybrid evolutionary-local-search algorithm.

PubMed

Deb, Kalyanmoy; Sinha, Ankur

2010-01-01

Bilevel optimization problems involve two optimization tasks (upper and lower level), in which every feasible upper level solution must correspond to an optimal solution to a lower level optimization problem. These problems commonly appear in many practical problem solving tasks including optimal control, process optimization, game-playing strategy developments, transportation problems, and others. However, they are commonly converted into a single level optimization problem by using an approximate solution procedure to replace the lower level optimization task. Although there exist a number of theoretical, numerical, and evolutionary optimization studies involving single-objective bilevel programming problems, not many studies look at the context of multiple conflicting objectives in each level of a bilevel programming problem. In this paper, we address certain intricate issues related to solving multi-objective bilevel programming problems, present challenging test problems, and propose a viable and hybrid evolutionary-cum-local-search based algorithm as a solution methodology. The hybrid approach performs better than a number of existing methodologies and scales well up to 40-variable difficult test problems used in this study. The population sizing and termination criteria are made self-adaptive, so that no additional parameters need to be supplied by the user. The study indicates a clear niche of evolutionary algorithms in solving such difficult problems of practical importance compared to their usual solution by a computationally expensive nested procedure. The study opens up many issues related to multi-objective bilevel programming and hopefully this study will motivate EMO and other researchers to pay more attention to this important and difficult problem solving activity.

Nonperturbative methods in HZE ion transport

NASA Technical Reports Server (NTRS)

Wilson, John W.; Badavi, Francis F.; Costen, Robert C.; Shinn, Judy L.

1993-01-01

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport. The code is established to operate on the Langley Research Center nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code is highly efficient and compares well with the perturbation approximations.

Three dimensional PNS solutions of hypersonic internal flows with equilibrium chemistry

NASA Technical Reports Server (NTRS)

Liou, May-Fun

1989-01-01

An implicit procedure for solving parabolized Navier-Stokes equations under the assumption of a general equation of state for a gas in chemical equilibrium is given. A general and consistent approach for the evaluation of Jacobian matrices in the implicit operator avoids the use of unnecessary auxiliary quantities and approximations, and leads to a simple expression. Applications to two- and three-dimensional flow problems show efficiency in computer time and economy in storage.

Efficient Preconditioning for the p-Version Finite Element Method in Two Dimensions

DTIC Science & Technology

1989-10-01

paper, we study fast parallel preconditioners for systems of equations arising from the p-version finite element method. The p-version finite element...computations and the solution of a relatively small global auxiliary problem. We study two different methods. In the first (Section 3), the global...20], will be studied in the next section. Problem (3.12) is obviously much more easily solved than the original problem ,nd the procedure is highly

Hybridisations of Variable Neighbourhood Search and Modified Simplex Elements to Harmony Search and Shuffled Frog Leaping Algorithms for Process Optimisations

NASA Astrophysics Data System (ADS)

Aungkulanon, P.; Luangpaiboon, P.

2010-10-01

Nowadays, the engineering problem systems are large and complicated. An effective finite sequence of instructions for solving these problems can be categorised into optimisation and meta-heuristic algorithms. Though the best decision variable levels from some sets of available alternatives cannot be done, meta-heuristics is an alternative for experience-based techniques that rapidly help in problem solving, learning and discovery in the hope of obtaining a more efficient or more robust procedure. All meta-heuristics provide auxiliary procedures in terms of their own tooled box functions. It has been shown that the effectiveness of all meta-heuristics depends almost exclusively on these auxiliary functions. In fact, the auxiliary procedure from one can be implemented into other meta-heuristics. Well-known meta-heuristics of harmony search (HSA) and shuffled frog-leaping algorithms (SFLA) are compared with their hybridisations. HSA is used to produce a near optimal solution under a consideration of the perfect state of harmony of the improvisation process of musicians. A meta-heuristic of the SFLA, based on a population, is a cooperative search metaphor inspired by natural memetics. It includes elements of local search and global information exchange. This study presents solution procedures via constrained and unconstrained problems with different natures of single and multi peak surfaces including a curved ridge surface. Both meta-heuristics are modified via variable neighbourhood search method (VNSM) philosophy including a modified simplex method (MSM). The basic idea is the change of neighbourhoods during searching for a better solution. The hybridisations proceed by a descent method to a local minimum exploring then, systematically or at random, increasingly distant neighbourhoods of this local solution. The results show that the variant of HSA with VNSM and MSM seems to be better in terms of the mean and variance of design points and yields.

Estimation of some transducer parameters in a broadband piezoelectric transmitter by using an artificial intelligence technique.

PubMed

Ruíz, A; Ramos, A; San Emeterio, J L

2004-04-01

An estimation procedure to efficiently find approximate values of internal parameters in ultrasonic transducers intended for broadband operation would be a valuable tool to discover internal construction data. This information is necessary in the modelling and simulation of acoustic and electrical behaviour related to ultrasonic systems containing commercial transducers. There is not a general solution for this generic problem of parameter estimation in the case of broadband piezoelectric probes. In this paper, this general problem is briefly analysed for broadband conditions. The viability of application in this field of an artificial intelligence technique supported on the modelling of the transducer internal components is studied. A genetic algorithm (GA) procedure is presented and applied to the estimation of different parameters, related to two transducers which are working as pulsed transmitters. The efficiency of this GA technique is studied, considering the influence of the number and variation range of the estimated parameters. Estimation results are experimentally ratified.

Acoustic scattering by arbitrary distributions of disjoint, homogeneous cylinders or spheres.

PubMed

Hesford, Andrew J; Astheimer, Jeffrey P; Waag, Robert C

2010-05-01

A T-matrix formulation is presented to compute acoustic scattering from arbitrary, disjoint distributions of cylinders or spheres, each with arbitrary, uniform acoustic properties. The generalized approach exploits the similarities in these scattering problems to present a single system of equations that is easily specialized to cylindrical or spherical scatterers. By employing field expansions based on orthogonal harmonic functions, continuity of pressure and normal particle velocity are directly enforced at each scatterer using diagonal, analytic expressions to eliminate the need for integral equations. The effect of a cylinder or sphere that encloses all other scatterers is simulated with an outer iterative procedure that decouples the inner-object solution from the effect of the enclosing object to improve computational efficiency when interactions among the interior objects are significant. Numerical results establish the validity and efficiency of the outer iteration procedure for nested objects. Two- and three-dimensional methods that employ this outer iteration are used to measure and characterize the accuracy of two-dimensional approximations to three-dimensional scattering of elevation-focused beams.

FAST SIMULATION OF SOLID TUMORS THERMAL ABLATION TREATMENTS WITH A 3D REACTION DIFFUSION MODEL *

PubMed Central

BERTACCINI, DANIELE; CALVETTI, DANIELA

2007-01-01

An efficient computational method for near real-time simulation of thermal ablation of tumors via radio frequencies is proposed. Model simulations of the temperature field in a 3D portion of tissue containing the tumoral mass for different patterns of source heating can be used to design the ablation procedure. The availability of a very efficient computational scheme makes it possible update the predicted outcome of the procedure in real time. In the algorithms proposed here a discretization in space of the governing equations is followed by an adaptive time integration based on implicit multistep formulas. A modification of the ode15s MATLAB function which uses Krylov space iterative methods for the solution of for the linear systems arising at each integration step makes it possible to perform the simulations on standard desktop for much finer grids than using the built-in ode15s. The proposed algorithm can be applied to a wide class of nonlinear parabolic differential equations. PMID:17173888

Design Optimization of a Variable-Speed Power Turbine

NASA Technical Reports Server (NTRS)

Hendricks, Eric S.; Jones, Scott M.; Gray, Justin S.

2014-01-01

NASA's Rotary Wing Project is investigating technologies that will enable the development of revolutionary civil tilt rotor aircraft. Previous studies have shown that for large tilt rotor aircraft to be viable, the rotor speeds need to be slowed significantly during the cruise portion of the flight. This requirement to slow the rotors during cruise presents an interesting challenge to the propulsion system designer as efficient engine performance must be achieved at two drastically different operating conditions. One potential solution to this challenge is to use a transmission with multiple gear ratios and shift to the appropriate ratio during flight. This solution will require a large transmission that is likely to be maintenance intensive and will require a complex shifting procedure to maintain power to the rotors at all times. An alternative solution is to use a fixed gear ratio transmission and require the power turbine to operate efficiently over the entire speed range. This concept is referred to as a variable-speed power-turbine (VSPT) and is the focus of the current study. This paper explores the design of a variable speed power turbine for civil tilt rotor applications using design optimization techniques applied to NASA's new meanline tool, the Object-Oriented Turbomachinery Analysis Code (OTAC).

Solution of cavity resonance and waveguide scattering problems using the eigenmode projection technique

NASA Astrophysics Data System (ADS)

Nasr, Mamdouh H.; Othman, Mohamed A. K.; Eshrah, Islam A.; Abuelfadl, Tamer M.

2017-04-01

New developments in the eigenmode projection technique (EPT) are introduced in solving problems of electromagnetic resonance in closed cavities as well as scattering from discontinuities in guided-wave structures. The EPT invokes the eigenmodes of a canonical predefined cavity in the solution procedure and uses the expansion of these eigenmodes to solve Maxwell's equations, in conjunction with a convenient choice of port boundary conditions. For closed cavities, a new spurious-mode separation method is developed, showing robust and efficient spurious-mode separation. This has been tested using more complex and practical examples demonstrating the powerful use of the presented approach. For waveguide scattering problems, convergence studies are being performed showing stable solutions for a relatively small number of expansion modes, and the proposed method has advantages over conventional solvers in analyzing electromagnetic problems with inhomogeneous materials. These convergence studies also lead to an efficient rule-of-thumb for the number of modes to be used in the simulation. The ability to handle closed and open structures is presented in a unified framework that highlights the generality of the EPT which could be used to analyze and design a variety of microwave components.

Theoretical and software considerations for general dynamic analysis using multilevel substructured models

NASA Technical Reports Server (NTRS)

Schmidt, R. J.; Dodds, R. H., Jr.

1985-01-01

The dynamic analysis of complex structural systems using the finite element method and multilevel substructured models is presented. The fixed-interface method is selected for substructure reduction because of its efficiency, accuracy, and adaptability to restart and reanalysis. This method is extended to reduction of substructures which are themselves composed of reduced substructures. The implementation and performance of the method in a general purpose software system is emphasized. Solution algorithms consistent with the chosen data structures are presented. It is demonstrated that successful finite element software requires the use of software executives to supplement the algorithmic language. The complexity of the implementation of restart and reanalysis porcedures illustrates the need for executive systems to support the noncomputational aspects of the software. It is shown that significant computational efficiencies can be achieved through proper use of substructuring and reduction technbiques without sacrificing solution accuracy. The restart and reanalysis capabilities and the flexible procedures for multilevel substructured modeling gives economical yet accurate analyses of complex structural systems.

High performance solutions and data for nZEBs offices located in warm climates.

PubMed

Congedo, Paolo Maria; Baglivo, Cristina; Zacà, Ilaria; D Agostino, Delia

2015-12-01

This data article contains eleven tables supporting the research article entitled: Cost-Optimal Design For Nearly Zero Energy Office Buildings Located In Warm Climates [1]. The data explain the procedure of minimum energy performance requirements presented by the European Directive (EPBD) [2] to establish several variants of energy efficiency measures with the integration of renewable energy sources in order to reach nZEBs (nearly zero energy buildings) by 2020. This files include the application of comparative methodological framework and give the cost-optimal solutions for non-residential building located in Southern Italy. The data describe office sector in which direct the current European policies and investments [3], [4]. In particular, the localization of the building, geometrical features, thermal properties of the envelope and technical systems for HVAC are reported in the first sections. Energy efficiency measures related to orientation, walls, windows, heating, cooling, dhw and RES are given in the second part of the group; this data article provides 256 combinations for a financial and macroeconomic analysis.

Application of PKI in health care--needs, ambitions, prospects.

PubMed

Suselj, Marjan; Marcun, Tomaz; Trcek, Denis; Kandus, Gorazd

2003-01-01

Through continual development and considerable investment over the past years, Slovenia has established an information infrastructure providing efficient data links between all the health care actors. This includes furnishing all the citizens and health workers with microprocessor cards--health insurance card and health professional card. These tools have significantly simplified different procedures in the health care and brought services closer to insured persons. The know-how and experiences gathered to day have given rise to vivid discussions of further development steps: introduction of new contents on the infrastructure in place and technological upgrading, in particular progressive incorporation of the PKI concept and thereby integration of card and network solutions to provide an efficient and secure communication environment. This paper outlines key perspectives of the future developments in this segment. With the volume of health care data communications through internet growing steeply, and with the paramount importance of patient--doctor trust and confidence, security tools and solutions in the health care are a critical need.

Automated smoother for the numerical decoupling of dynamics models.

PubMed

Vilela, Marco; Borges, Carlos C H; Vinga, Susana; Vasconcelos, Ana Tereza R; Santos, Helena; Voit, Eberhard O; Almeida, Jonas S

2007-08-21

Structure identification of dynamic models for complex biological systems is the cornerstone of their reverse engineering. Biochemical Systems Theory (BST) offers a particularly convenient solution because its parameters are kinetic-order coefficients which directly identify the topology of the underlying network of processes. We have previously proposed a numerical decoupling procedure that allows the identification of multivariate dynamic models of complex biological processes. While described here within the context of BST, this procedure has a general applicability to signal extraction. Our original implementation relied on artificial neural networks (ANN), which caused slight, undesirable bias during the smoothing of the time courses. As an alternative, we propose here an adaptation of the Whittaker's smoother and demonstrate its role within a robust, fully automated structure identification procedure. In this report we propose a robust, fully automated solution for signal extraction from time series, which is the prerequisite for the efficient reverse engineering of biological systems models. The Whittaker's smoother is reformulated within the context of information theory and extended by the development of adaptive signal segmentation to account for heterogeneous noise structures. The resulting procedure can be used on arbitrary time series with a nonstationary noise process; it is illustrated here with metabolic profiles obtained from in-vivo NMR experiments. The smoothed solution that is free of parametric bias permits differentiation, which is crucial for the numerical decoupling of systems of differential equations. The method is applicable in signal extraction from time series with nonstationary noise structure and can be applied in the numerical decoupling of system of differential equations into algebraic equations, and thus constitutes a rather general tool for the reverse engineering of mechanistic model descriptions from multivariate experimental time series.

Solution phase synthesis of aluminum-doped silicon nanoparticles via room-temperature, solvent based chemical reduction of silicon tetrachloride

NASA Astrophysics Data System (ADS)

Mowbray, Andrew James

We present a method of wet chemical synthesis of aluminum-doped silicon nanoparticles (Al-doped Si NPs), encompassing the solution-phase co-reduction of silicon tetrachloride (SiCl4) and aluminum chloride (AlCl 3) by sodium naphthalide (Na[NAP]) in 1,2-dimethoxyethane (DME). The development of this method was inspired by the work of Baldwin et al. at the University of California, Davis, and was adapted for our research through some noteworthy procedural modifications. Centrifugation and solvent-based extraction techniques were used throughout various stages of the synthesis procedure to achieve efficient and well-controlled separation of the Si NP product from the reaction media. In addition, the development of a non-aqueous, formamide-based wash solution facilitated simultaneous removal of the NaCl byproduct and Si NP surface passivation via attachment of 1-octanol to the particle surface. As synthesized, the Si NPs were typically 3-15 nm in diameter, and were mainly amorphous, as opposed to crystalline, as concluded from SAED and XRD diffraction pattern analysis. Aluminum doping at various concentrations was accomplished via the inclusion of aluminum chloride (AlCl3); which was in small quantities dissolved into the synthesis solution to be reduced alongside the SiCl4 precursor. The introduction of Al into the chemically-reduced Si NP precipitate was not found to adversely affect the formation of the Si NPs, but was found to influence aspects such as particle stability and dispersibility throughout various stages of the procedure. Analytical techniques including transmission electron microscopy (TEM), FTIR spectroscopy, and ICP-optical emission spectroscopy were used to comprehensively characterize the product NPs. These methods confirm both the presence of Al and surface-bound 1-octanol in the newly formed Si NPs.

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

Wollaber, Allan Benton; Park, HyeongKae; Lowrie, Robert Byron

Moment-based acceleration via the development of “high-order, low-order” (HO-LO) algorithms has provided substantial accuracy and efficiency enhancements for solutions of the nonlinear, thermal radiative transfer equations by CCS-2 and T-3 staff members. Accuracy enhancements over traditional, linearized methods are obtained by solving a nonlinear, timeimplicit HO-LO system via a Jacobian-free Newton Krylov procedure. This also prevents the appearance of non-physical maximum principle violations (“temperature spikes”) associated with linearization. Efficiency enhancements are obtained in part by removing “effective scattering” from the linearized system. In this highlight, we summarize recent work in which we formally extended the HO-LO radiation algorithm to includemore » operator-split radiation-hydrodynamics.« less

An accurate and efficient acoustic eigensolver based on a fast multipole BEM and a contour integral method

NASA Astrophysics Data System (ADS)

Zheng, Chang-Jun; Gao, Hai-Feng; Du, Lei; Chen, Hai-Bo; Zhang, Chuanzeng

2016-01-01

An accurate numerical solver is developed in this paper for eigenproblems governed by the Helmholtz equation and formulated through the boundary element method. A contour integral method is used to convert the nonlinear eigenproblem into an ordinary eigenproblem, so that eigenvalues can be extracted accurately by solving a set of standard boundary element systems of equations. In order to accelerate the solution procedure, the parameters affecting the accuracy and efficiency of the method are studied and two contour paths are compared. Moreover, a wideband fast multipole method is implemented with a block IDR (s) solver to reduce the overall solution cost of the boundary element systems of equations with multiple right-hand sides. The Burton-Miller formulation is employed to identify the fictitious eigenfrequencies of the interior acoustic problems with multiply connected domains. The actual effect of the Burton-Miller formulation on tackling the fictitious eigenfrequency problem is investigated and the optimal choice of the coupling parameter as α = i / k is confirmed through exterior sphere examples. Furthermore, the numerical eigenvalues obtained by the developed method are compared with the results obtained by the finite element method to show the accuracy and efficiency of the developed method.

A three-step maximum a posteriori probability method for InSAR data inversion of coseismic rupture with application to the 14 April 2010 Mw 6.9 Yushu, China, earthquake

NASA Astrophysics Data System (ADS)

Sun, Jianbao; Shen, Zheng-Kang; Bürgmann, Roland; Wang, Min; Chen, Lichun; Xu, Xiwei

2013-08-01

develop a three-step maximum a posteriori probability method for coseismic rupture inversion, which aims at maximizing the a posterior probability density function (PDF) of elastic deformation solutions of earthquake rupture. The method originates from the fully Bayesian inversion and mixed linear-nonlinear Bayesian inversion methods and shares the same posterior PDF with them, while overcoming difficulties with convergence when large numbers of low-quality data are used and greatly improving the convergence rate using optimization procedures. A highly efficient global optimization algorithm, adaptive simulated annealing, is used to search for the maximum of a posterior PDF ("mode" in statistics) in the first step. The second step inversion approaches the "true" solution further using the Monte Carlo inversion technique with positivity constraints, with all parameters obtained from the first step as the initial solution. Then slip artifacts are eliminated from slip models in the third step using the same procedure of the second step, with fixed fault geometry parameters. We first design a fault model with 45° dip angle and oblique slip, and produce corresponding synthetic interferometric synthetic aperture radar (InSAR) data sets to validate the reliability and efficiency of the new method. We then apply this method to InSAR data inversion for the coseismic slip distribution of the 14 April 2010 Mw 6.9 Yushu, China earthquake. Our preferred slip model is composed of three segments with most of the slip occurring within 15 km depth and the maximum slip reaches 1.38 m at the surface. The seismic moment released is estimated to be 2.32e+19 Nm, consistent with the seismic estimate of 2.50e+19 Nm.

Quasi-2D Unsteady Flow Solver Module for Rocket Engine and Propulsion System Simulations

DTIC Science & Technology

2006-06-14

Conference, Sacramento, CA, 9-12 July 2006. 14. ABSTRACT A new quasi-two-dimensional procedure is presented for the transient solution of real-fluid flows...solution procedures is being developed in parallel to provide verification test cases. The solution procedure for both codes is coupled with a state-of...Davis, Davis, CA, 95616 A new quasi-two-dimensional procedure is presented for the transient solution of real- fluid flows in lines and volumes

Layer-by-Layer Molecular Assemblies for Dye-Sensitized Photoelectrosynthesis Cells Prepared by Atomic Layer Deposition

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

Wang, Degao; Sheridan, Matthew V.; Shan, Bing

2017-08-30

In a Dye Sensitized Photoelectrosynthesis Cell (DSPEC) the relative orientation of catalyst and chromophore play important roles. Here we introduce a new, robust, Atomic Layer Deposition (ALD) procedure for the preparation of assemblies on wide bandgap semiconductors. In the procedure, phosphonated metal complex precursors react with metal ion bridging to an external chromophore or catalyst to give assemblies bridged by Al(III), Sn(IV), Ti(IV), or Zr(IV) metal oxide units as bridges. The procedure has been extended to chromophore-catalyst assemblies for water oxidation catalysis. A SnO2 bridged assembly on SnO2/TiO2 core/shell electrodes undergoes water splitting with an incident photon conversion efficiency (IPCE)more » of 17.1% at 440 nm. Reduction of water at a Ni(II)-based catalyst on NiO films has been shown to give H2. Compared to conventional solution-based procedures, the ALD approach offers significant advantages in scope and flexibility for the preparation of stable surface structures.« less

An Efficient Method for Co-purification of Eggshell Matrix Proteins OC-17, OC-116, and OCX-36

PubMed Central

2016-01-01

In this study, we improved the eggshell-membrane separation process by separating the shell and membrane with EDTA solution, evaluating effects of three different extraction solutions (acetic acid, EDTA, and phosphate solution), and co-purifying multiple eggshell proteins with two successive ion-exchange chromatography procedures (CM Sepharose Fast Flow and DEAE Sepharose Fast Flow). The recovery and residual rates of eggshell and membrane separated by the modified method with added EDTA solution were 93.88%, 91.15% and 1.01%, 2.87%, respectively. Ovocleidin-116 (OC-116) and ovocalyxin-36 (OCX-36) were obtained by loading 50 mM Na-Hepes, pH 7.5, 2 mM DTT and 350 mM NaCl buffer onto the DEAE-FF column at a flow rate of 1 mL/min, ovocleidin-17 (OC-17) was obtained by loading 100 mM NaCl, 50 mM Tris, pH 8.0 on the CM-FF column at a flow rate of 0.5 mL/min. The purities of OCX-36, OC-17 and OC-116 were 96.82%, 80.15% and 73.22%, and the recovery rates were 55.27%, 53.38% and 36.34%, respectively. Antibacterial activity test suggested that phosphate solution extract exhibited significantly higher activity against the tested bacterial strains than the acetic acid or EDTA extract, probably due to more types of proteins in the extract. These results demonstrate that this separation method is feasible and efficient. PMID:28115888

Thermoresponsive cellulose ether and its flocculation behavior for organic dye removal.

PubMed

Tian, Ye; Ju, Benzhi; Zhang, Shufen; Hou, Linan

2016-01-20

A thermoresponsive polymer, 2-hydroxy-3-butoxypropyl hydroxyethyl cellulose (HBPEC), was prepared by grafting butyl glycidyl ether (BGE) onto hydroxyethyl cellulose (HEC). The lower critical solution temperature (LCST) and critical flocculation temperature (CFT) of HBPEC were varied by changing the molar substitution (MS) and salt concentrations. Transmission electron microscopy (TEM) images and fluorescence spectroscopy showed that HBPEC can assemble into micelles. Additionally, using Nile Red as a model dye, the performance of HBPEC for the removing Nile Red from aqueous solutions via cloud point extraction procedures was investigated in detail. The encapsulation behavior of dye in the aqueous solution of HBPEC was studied by fluorescence spectroscopy and fluorescence microscope. The experimental results indicated that 99.4% of dye was removed from the aqueous solutions, and the HBPEC was recycled and reused easily, Furthermore, the recycle efficiency (RE) and maximum loading capacity portrayed little loss with the number of cycles. Copyright © 2015 Elsevier Ltd. All rights reserved.

An Investigation of Two Finite Element Modeling Solutions for Biomechanical Simulation Using a Case Study of a Mandibular Bone.

PubMed

Liu, Yun-Feng; Fan, Ying-Ying; Dong, Hui-Yue; Zhang, Jian-Xing

2017-12-01

The method used in biomechanical modeling for finite element method (FEM) analysis needs to deliver accurate results. There are currently two solutions used in FEM modeling for biomedical model of human bone from computerized tomography (CT) images: one is based on a triangular mesh and the other is based on the parametric surface model and is more popular in practice. The outline and modeling procedures for the two solutions are compared and analyzed. Using a mandibular bone as an example, several key modeling steps are then discussed in detail, and the FEM calculation was conducted. Numerical calculation results based on the models derived from the two methods, including stress, strain, and displacement, are compared and evaluated in relation to accuracy and validity. Moreover, a comprehensive comparison of the two solutions is listed. The parametric surface based method is more helpful when using powerful design tools in computer-aided design (CAD) software, but the triangular mesh based method is more robust and efficient.

Analytical study of STOL Aircraft in ground effect. Part 1: Nonplanar, nonlinear wing/jet lifting surface method

NASA Technical Reports Server (NTRS)

Shollenberger, C. A.; Smyth, D. N.

1978-01-01

A nonlinear, nonplanar three dimensional jet flap analysis, applicable to the ground effect problem, is presented. Lifting surface methodology is developed for a wing with arbitrary planform operating in an inviscid and incompressible fluid. The classical, infintely thin jet flap model is employed to simulate power induced effects. An iterative solution procedure is applied within the analysis to successively approximate the jet shape until a converged solution is obtained which closely satisfies jet and wing boundary conditions. Solution characteristics of the method are discussed and example results are presented for unpowered, basic powered and complex powered configurations. Comparisons between predictions of the present method and experimental measurements indicate that the improvement of the jet with the ground plane is important in the analyses of powered lift systems operating in ground proximity. Further development of the method is suggested in the areas of improved solution convergence, more realistic modeling of jet impingement and calculation efficiency enhancements.

Approximate Green's function methods for HZE transport in multilayered materials

NASA Technical Reports Server (NTRS)

Wilson, John W.; Badavi, Francis F.; Shinn, Judy L.; Costen, Robert C.

1993-01-01

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport in multilayered materials. The code is established to operate on the Langley nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code was found to be highly efficient and compared well with the perturbation approximation.

Rebuilding the Trust: Independent Review Group Report on Rehabilitative Care and Administrative Processes at Walter Reed Army Medical Center and National Naval Medical Center

DTIC Science & Technology

2007-04-11

conditions and administrative hurdles and failed to place proper priority on solutions. • A smooth integration is lacking for transition into a joint Walter...accounts the evolution of rapid joint battlefield medical response, rapid evacuation with intensive care, quality air transportation, and unsurpassed...and increased survival is the result of more efficient joint medical response on the battlefield and medical tactics, techniques and procedures that

Aerodynamic shape optimization using preconditioned conjugate gradient methods

NASA Technical Reports Server (NTRS)

Burgreen, Greg W.; Baysal, Oktay

1993-01-01

In an effort to further improve upon the latest advancements made in aerodynamic shape optimization procedures, a systematic study is performed to examine several current solution methodologies as applied to various aspects of the optimization procedure. It is demonstrated that preconditioned conjugate gradient-like methodologies dramatically decrease the computational efforts required for such procedures. The design problem investigated is the shape optimization of the upper and lower surfaces of an initially symmetric (NACA-012) airfoil in inviscid transonic flow and at zero degree angle-of-attack. The complete surface shape is represented using a Bezier-Bernstein polynomial. The present optimization method then automatically obtains supercritical airfoil shapes over a variety of freestream Mach numbers. Furthermore, the best optimization strategy examined resulted in a factor of 8 decrease in computational time as well as a factor of 4 decrease in memory over the most efficient strategies in current use.

Three-dimensional modeling, estimation, and fault diagnosis of spacecraft air contaminants.

PubMed

Narayan, A P; Ramirez, W F

1998-01-01

A description is given of the design and implementation of a method to track the presence of air contaminants aboard a spacecraft using an accurate physical model and of a procedure that would raise alarms when certain tolerance levels are exceeded. Because our objective is to monitor the contaminants in real time, we make use of a state estimation procedure that filters measurements from a sensor system and arrives at an optimal estimate of the state of the system. The model essentially consists of a convection-diffusion equation in three dimensions, solved implicitly using the principle of operator splitting, and uses a flowfield obtained by the solution of the Navier-Stokes equations for the cabin geometry, assuming steady-state conditions. A novel implicit Kalman filter has been used for fault detection, a procedure that is an efficient way to track the state of the system and that uses the sparse nature of the state transition matrices.

A new procedure for dynamic adaption of three-dimensional unstructured grids

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Strawn, Roger

1993-01-01

A new procedure is presented for the simultaneous coarsening and refinement of three-dimensional unstructured tetrahedral meshes. This algorithm allows for localized grid adaption that is used to capture aerodynamic flow features such as vortices and shock waves in helicopter flowfield simulations. The mesh-adaption algorithm is implemented in the C programming language and uses a data structure consisting of a series of dynamically-allocated linked lists. These lists allow the mesh connectivity to be rapidly reconstructed when individual mesh points are added and/or deleted. The algorithm allows the mesh to change in an anisotropic manner in order to efficiently resolve directional flow features. The procedure has been successfully implemented on a single processor of a Cray Y-MP computer. Two sample cases are presented involving three-dimensional transonic flow. Computed results show good agreement with conventional structured-grid solutions for the Euler equations.

How Near is a Near-Optimal Solution: Confidence Limits for the Global Optimum.

DTIC Science & Technology

1980-05-01

or near-optimal solutions are the only practical solutions available. This paper identifies and compares some procedures which use independent near...approximate or near-optimal solutions are the only practical solutions available. This paper identifies and compares some procedures which use inde- pendent...The objective of this paper is to indicate some relatively new statistical procedures for obtaining an upper confidence limit on G Each of these

Mass-conservative reconstruction of Galerkin velocity fields for transport simulations

NASA Astrophysics Data System (ADS)

Scudeler, C.; Putti, M.; Paniconi, C.

2016-08-01

Accurate calculation of mass-conservative velocity fields from numerical solutions of Richards' equation is central to reliable surface-subsurface flow and transport modeling, for example in long-term tracer simulations to determine catchment residence time distributions. In this study we assess the performance of a local Larson-Niklasson (LN) post-processing procedure for reconstructing mass-conservative velocities from a linear (P1) Galerkin finite element solution of Richards' equation. This approach, originally proposed for a-posteriori error estimation, modifies the standard finite element velocities by imposing local conservation on element patches. The resulting reconstructed flow field is characterized by continuous fluxes on element edges that can be efficiently used to drive a second order finite volume advective transport model. Through a series of tests of increasing complexity that compare results from the LN scheme to those using velocity fields derived directly from the P1 Galerkin solution, we show that a locally mass-conservative velocity field is necessary to obtain accurate transport results. We also show that the accuracy of the LN reconstruction procedure is comparable to that of the inherently conservative mixed finite element approach, taken as a reference solution, but that the LN scheme has much lower computational costs. The numerical tests examine steady and unsteady, saturated and variably saturated, and homogeneous and heterogeneous cases along with initial and boundary conditions that include dry soil infiltration, alternating solute and water injection, and seepage face outflow. Typical problems that arise with velocities derived from P1 Galerkin solutions include outgoing solute flux from no-flow boundaries, solute entrapment in zones of low hydraulic conductivity, and occurrences of anomalous sources and sinks. In addition to inducing significant mass balance errors, such manifestations often lead to oscillations in concentration values that can moreover cause the numerical solution to explode. These problems do not occur when using LN post-processed velocities.

Optimizing Perioperative Decision Making: Improved Information for Clinical Workflow Planning

PubMed Central

Doebbeling, Bradley N.; Burton, Matthew M.; Wiebke, Eric A.; Miller, Spencer; Baxter, Laurence; Miller, Donald; Alvarez, Jorge; Pekny, Joseph

2012-01-01

Perioperative care is complex and involves multiple interconnected subsystems. Delayed starts, prolonged cases and overtime are common. Surgical procedures account for 40–70% of hospital revenues and 30–40% of total costs. Most planning and scheduling in healthcare is done without modern planning tools, which have potential for improving access by assisting in operations planning support. We identified key planning scenarios of interest to perioperative leaders, in order to examine the feasibility of applying combinatorial optimization software solving some of those planning issues in the operative setting. Perioperative leaders desire a broad range of tools for planning and assessing alternate solutions. Our modeled solutions generated feasible solutions that varied as expected, based on resource and policy assumptions and found better utilization of scarce resources. Combinatorial optimization modeling can effectively evaluate alternatives to support key decisions for planning clinical workflow and improving care efficiency and satisfaction. PMID:23304284

Poly(DL-lactide)-b-poly(N,N-dimethylamino-2-ethyl methacrylate): synthesis, characterization, micellization behavior in aqueous solutions, and encapsulation of the hydrophobic drug dipyridamole.

PubMed

Karanikolopoulos, Nikos; Zamurovic, Miljana; Pitsikalis, Marinos; Hadjichristidis, Nikos

2010-02-08

We synthesized a series of well-defined poly(dl-lactide)-b-poly(N,N-dimethylamino-2-ethyl methacrylate) (PDLLA-b-PDMAEMA) amphiphilic diblock copolymers by employing a three-step procedure: (a) ring-opening polymerization (ROP) of dl-lactide using n-decanol and stannous octoate, Sn(Oct)(2), as the initiating system, (b) reaction of the PDLLA hydroxyl end groups with bromoisobutyryl bromide, and (c) atom transfer radical polymerization, ATRP, of DMAEMA with the newly created bromoisobutyryl initiating site. The aggregation behavior of the prepared block copolymers was investigated by dynamic light scattering and zeta potential measurements at 25 degrees C in aqueous solutions of different pH values. The hydrophobic drug dipyridamole was efficiently incorporated into the copolymer aggregates in aqueous solutions of pH 7.40. High partition coefficient values were determined by fluorescence spectroscopy.

Optimizing perioperative decision making: improved information for clinical workflow planning.

PubMed

Doebbeling, Bradley N; Burton, Matthew M; Wiebke, Eric A; Miller, Spencer; Baxter, Laurence; Miller, Donald; Alvarez, Jorge; Pekny, Joseph

2012-01-01

Perioperative care is complex and involves multiple interconnected subsystems. Delayed starts, prolonged cases and overtime are common. Surgical procedures account for 40-70% of hospital revenues and 30-40% of total costs. Most planning and scheduling in healthcare is done without modern planning tools, which have potential for improving access by assisting in operations planning support. We identified key planning scenarios of interest to perioperative leaders, in order to examine the feasibility of applying combinatorial optimization software solving some of those planning issues in the operative setting. Perioperative leaders desire a broad range of tools for planning and assessing alternate solutions. Our modeled solutions generated feasible solutions that varied as expected, based on resource and policy assumptions and found better utilization of scarce resources. Combinatorial optimization modeling can effectively evaluate alternatives to support key decisions for planning clinical workflow and improving care efficiency and satisfaction.

Developing and utilizing an Euler computational method for predicting the airframe/propulsion effects for an aft-mounted turboprop transport. Volume 1: Theory document

NASA Technical Reports Server (NTRS)

Chen, H. C.; Yu, N. Y.

1991-01-01

An Euler flow solver was developed for predicting the airframe/propulsion integration effects for an aft-mounted turboprop transport. This solver employs a highly efficient multigrid scheme, with a successive mesh-refinement procedure to accelerate the convergence of the solution. A new dissipation model was also implemented to render solutions that are grid insensitive. The propeller power effects are simulated by the actuator disk concept. An embedded flow solution method was developed for predicting the detailed flow characteristics in the local vicinity of an aft-mounted propfan engine in the presence of a flow field induced by a complete aircraft. Results from test case analysis are presented. A user's guide for execution of computer programs, including format of various input files, sample job decks, and sample input files, is provided in an accompanying volume.

Evaluating Microtox as a tool for biodegradability assessment of partially treated solutions of pesticides using Fe3+ and TiO2 solar photo-assisted processes.

PubMed

Lapertot, Milena; Ebrahimi, Sirous; Oller, Isabel; Maldonado, Manuel I; Gernjak, Wolfgang; Malato, Sixto; Pulgarín, César

2008-03-01

To shorten phototreatment time is of major concern for the cost and energy benefits of the xenobiotics degradation performed by photocatalytic processes. Using photo-Fenton and TiO(2) phototreatments, partially photodegraded solutions of 6 separate pesticides (alachlor, atrazine, chlorfenvinphos, diuron, isoproturon and pentachlorophenol) were tested for biocompatibility, which was evaluated according to the Zahn-Wellens procedure. This study investigated if Microtox could be considered as a suitable global indicator capable of giving information on the evolution of biocompatibility of the water solution contaminated with organic pollutants during the phototreatment in order to promote biotreatment. The obtained results demonstrated that biodegradability increased significantly after short photo-Fenton treatment times for alachlor, diuron and pentachlorophenol. Uncertain results were obtained with atrazine and isoproturon. Microtox acute toxicity testing was shown to correctly represent dynamics and efficiency of phototreatment.

Fully solution-processed, transparent organic power-generating polarizer

NASA Astrophysics Data System (ADS)

Chou, Wei-Yu; Hsu, Fang-Chi; Chen, Yang-Fang

2017-03-01

We fabricate transparent organic power-generating polarizer by all solution process. Based on the conventional indium-tin-oxide-coated glass as the bottom cathode, the subsequent layers are prepared by a combination of solution processing methods. Sprayed silver nanowires film serves as the top anode and can transmit greater than 80% of the visible light with sheet resistance of 16 Ω/□. By adopting the quasi-bilayer structure for the photoactive layer composed of rubbed polymer donors to produce anisotropic optical property underneath fullerene acceptors, the finished device demonstrates a power conversion efficiency of 1.36% with unpolarized light, a dichroic ratio of 3.2, and a high short circuit current ratio of 2.6 with polarized light. Our proposed fabrication procedures of devices take into account not only the cost-effective production, but also the flexibility of devices for applying in flexible, scalable circuits to advance the development of future technology.

A new multi-step technique with differential transform method for analytical solution of some nonlinear variable delay differential equations.

PubMed

Benhammouda, Brahim; Vazquez-Leal, Hector

2016-01-01

This work presents an analytical solution of some nonlinear delay differential equations (DDEs) with variable delays. Such DDEs are difficult to treat numerically and cannot be solved by existing general purpose codes. A new method of steps combined with the differential transform method (DTM) is proposed as a powerful tool to solve these DDEs. This method reduces the DDEs to ordinary differential equations that are then solved by the DTM. Furthermore, we show that the solutions can be improved by Laplace-Padé resummation method. Two examples are presented to show the efficiency of the proposed technique. The main advantage of this technique is that it possesses a simple procedure based on a few straight forward steps and can be combined with any analytical method, other than the DTM, like the homotopy perturbation method.

Marching iterative methods for the parabolized and thin layer Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Israeli, M.

1985-01-01

Downstream marching iterative schemes for the solution of the Parabolized or Thin Layer (PNS or TL) Navier-Stokes equations are described. Modifications of the primitive equation global relaxation sweep procedure result in efficient second-order marching schemes. These schemes take full account of the reduced order of the approximate equations as they behave like the SLOR for a single elliptic equation. The improved smoothing properties permit the introduction of Multi-Grid acceleration. The proposed algorithm is essentially Reynolds number independent and therefore can be applied to the solution of the subsonic Euler equations. The convergence rates are similar to those obtained by the Multi-Grid solution of a single elliptic equation; the storage is also comparable as only the pressure has to be stored on all levels. Extensions to three-dimensional and compressible subsonic flows are discussed. Numerical results are presented.

An immersive surgery training system with live streaming capability.

PubMed

Yang, Yang; Guo, Xinqing; Yu, Zhan; Steiner, Karl V; Barner, Kenneth E; Bauer, Thomas L; Yu, Jingyi

2014-01-01

Providing real-time, interactive immersive surgical training has been a key research area in telemedicine. Earlier approaches have mainly adopted videotaped training that can only show imagery from a fixed view point. Recent advances on commodity 3D imaging have enabled a new paradigm for immersive surgical training by acquiring nearly complete 3D reconstructions of actual surgical procedures. However, unlike 2D videotaping that can easily stream data in real-time, by far 3D imaging based solutions require pre-capturing and processing the data; surgical trainings using the data have to be conducted offline after the acquisition. In this paper, we present a new real-time immersive 3D surgical training system. Our solution builds upon the recent multi-Kinect based surgical training system [1] that can acquire and display high delity 3D surgical procedures using only a small number of Microsoft Kinect sensors. We build on top of the system a client-server model for real-time streaming. On the server front, we efficiently fuse multiple Kinect data acquired from different viewpoints and compress and then stream the data to the client. On the client front, we build an interactive space-time navigator to allow remote users (e.g., trainees) to witness the surgical procedure in real-time as if they were present in the room.

A Comparison of Simple Methods to Incorporate Material Temperature Dependency in the Green's Function Method for Estimating Transient Thermal Stresses in Thick-Walled Power Plant Components.

PubMed

Rouse, James; Hyde, Christopher

2016-01-06

The threat of thermal fatigue is an increasing concern for thermal power plant operators due to the increasing tendency to adopt "two-shifting" operating procedures. Thermal plants are likely to remain part of the energy portfolio for the foreseeable future and are under societal pressures to generate in a highly flexible and efficient manner. The Green's function method offers a flexible approach to determine reference elastic solutions for transient thermal stress problems. In order to simplify integration, it is often assumed that Green's functions (derived from finite element unit temperature step solutions) are temperature independent (this is not the case due to the temperature dependency of material parameters). The present work offers a simple method to approximate a material's temperature dependency using multiple reference unit solutions and an interpolation procedure. Thermal stress histories are predicted and compared for realistic temperature cycles using distinct techniques. The proposed interpolation method generally performs as well as (if not better) than the optimum single Green's function or the previously-suggested weighting function technique (particularly for large temperature increments). Coefficients of determination are typically above 0 . 96 , and peak stress differences between true and predicted datasets are always less than 10 MPa.

An Improved Artificial Bee Colony-Based Approach for Zoning Protected Ecological Areas

PubMed Central

Shao, Jing; Yang, Lina; Peng, Ling; Chi, Tianhe; Wang, Xiaomeng

2015-01-01

China is facing ecological and environmental challenges as its urban growth rate continues to rise, and zoning protected ecological areas is recognized as an effective response measure. Zoning inherently involves both site attributes and aggregation attributes, and the combination of mathematical models and heuristic algorithms have proven advantageous. In this article, an improved artificial bee colony (IABC)-based approach is proposed for zoning protected ecological areas at a regional scale. Three main improvements were made: the first is the use of multiple strategies to generate the initial bee population of a specific quality and diversity, the second is an exploitation search procedure to generate neighbor solutions combining “replace” and “alter” operations, and the third is a “swap” strategy to enable a local search for the iterative optimal solution. The IABC algorithm was verified using simulated data. Then it was applied to define an optimum scheme of protected ecological areas of Sanya (in the Hainan province of China), and a reasonable solution was obtained. Finally, a comparison experiment with other methods (agent-based land allocation model, ant colony optimization, and density slicing) was conducted and demonstrated that the IABC algorithm was more effective and efficient than the other methods. Through this study, we aimed to provide a scientifically sound, practical approach for zoning procedures. PMID:26394148

Small Modifications of Curvilinear Coordinates and Successive Approximations Applied in Geopotential Determination

NASA Astrophysics Data System (ADS)

Holota, P.; Nesvadba, O.

2016-12-01

The mathematical apparatus currently applied for geopotential determination is undoubtedly quite developed. This concerns numerical methods as well as methods based on classical analysis, equally as classical and weak solution concepts. Nevertheless, the nature of the real surface of the Earth has its specific features and is still rather complex. The aim of this paper is to consider these limits and to seek a balance between the performance of an apparatus developed for the surface of the Earth smoothed (or simplified) up to a certain degree and an iteration procedure used to bridge the difference between the real and smoothed topography. The approach is applied for the solution of the linear gravimetric boundary value problem in geopotential determination. Similarly as in other branches of engineering and mathematical physics a transformation of coordinates is used that offers a possibility to solve an alternative between the boundary complexity and the complexity of the coefficients of the partial differential equation governing the solution. As examples the use of modified spherical and also modified ellipsoidal coordinates for the transformation of the solution domain is discussed. However, the complexity of the boundary is then reflected in the structure of Laplace's operator. This effect is taken into account by means of successive approximations. The structure of the respective iteration steps is derived and analyzed. On the level of individual iteration steps the attention is paid to the representation of the solution in terms of function bases or in terms of Green's functions. The convergence of the procedure and the efficiency of its use for geopotential determination is discussed.

Generalized recursive solutions to Ornstein-Zernike integral equations

NASA Astrophysics Data System (ADS)

Rossky, Peter J.; Dale, William D. T.

1980-09-01

Recursive procedures for the solution of a class of integral equations based on the Ornstein-Zernike equation are developed; the hypernetted chain and Percus-Yevick equations are two special cases of the class considered. It is shown that certain variants of the new procedures developed here are formally equivalent to those recently developed by Dale and Friedman, if the new recursive expressions are initialized in the same way as theirs. However, the computational solution of the new equations is significantly more efficient. Further, the present analysis leads to the identification of various graphical quantities arising in the earlier study with more familiar quantities related to pair correlation functions. The analysis is greatly facilitated by the use of several identities relating simple chain sums whose graphical elements can be written as a sum of two or more parts. In particular, the use of these identities permits renormalization of the equivalent series solution to the integral equation to be directly incorporated into the recursive solution in a straightforward manner. Formulas appropriate to renormalization with respect to long and short range parts of the pair potential, as well as more general components of the direct correlation function, are obtained. To further illustrate the utility of this approach, we show that a simple generalization of the hypernetted chain closure relation for the direct correlation function leads directly to the reference hypernetted chain (RHNC) equation due to Lado. The form of the correlation function used in the exponential approximation of Andersen and Chandler is then seen to be equivalent to the first estimate obtained from a renormalized RHNC equation.

Design and scale-up of an oxidative scrubbing process for the selective removal of hydrogen sulfide from biogas.

PubMed

Krischan, J; Makaruk, A; Harasek, M

2012-05-15

Reliable and selective removal of hydrogen sulfide (H(2)S) is an essential part of the biogas upgrading procedure in order to obtain a marketable and competitive natural gas substitute for flexible utilization. A promising biogas desulfurization technology has to ensure high separation efficiency regardless of process conditions or H(2)S load without the use or production of toxic or ecologically harmful substances. Alkaline oxidative scrubbing is an interesting alternative to existing desulfurization technologies and is investigated in this work. In experiments on a stirred tank reactor and a continuous scrubbing column in laboratory-scale, H(2)S was absorbed from a gas stream containing large amounts of carbon dioxide (CO(2)) into an aqueous solution prepared from sodium hydroxide (NaOH), sodium bicarbonate (NaHCO(3)) and hydrogen peroxide (H(2)O(2)). The influence of pH, redox potential and solution aging on the absorption efficiency and the consumption of chemicals was investigated. Because of the irreversible oxidation reactions of dissolved H(2)S with H(2)O(2), high H(2)S removal efficiencies were achieved while the CO(2) absorption was kept low. At an existing biogas upgrading plant an industrial-scale pilot scrubber was constructed, which efficiently desulfurizes 180m(3)/h of raw biogas with an average removal efficiency of 97%, even at relatively high and strongly fluctuating H(2)S contents in the crude gas. Copyright © 2012 Elsevier B.V. All rights reserved.

Grading Multiple Choice Exams with Low-Cost and Portable Computer-Vision Techniques

NASA Astrophysics Data System (ADS)

Fisteus, Jesus Arias; Pardo, Abelardo; García, Norberto Fernández

2013-08-01

Although technology for automatic grading of multiple choice exams has existed for several decades, it is not yet as widely available or affordable as it should be. The main reasons preventing this adoption are the cost and the complexity of the setup procedures. In this paper, Eyegrade, a system for automatic grading of multiple choice exams is presented. While most current solutions are based on expensive scanners, Eyegrade offers a truly low-cost solution requiring only a regular off-the-shelf webcam. Additionally, Eyegrade performs both mark recognition as well as optical character recognition of handwritten student identification numbers, which avoids the use of bubbles in the answer sheet. When compared with similar webcam-based systems, the user interface in Eyegrade has been designed to provide a more efficient and error-free data collection procedure. The tool has been validated with a set of experiments that show the ease of use (both setup and operation), the reduction in grading time, and an increase in the reliability of the results when compared with conventional, more expensive systems.

Microwave-assisted extraction and mild saponification for determination of organochlorine pesticides in oyster samples.

PubMed

Carro, N; García, I; Ignacio, M-C; Llompart, M; Yebra, M-C; Mouteira, A

2002-10-01

A sample-preparation procedure (extraction and saponification) using microwave energy is proposed for determination of organochlorine pesticides in oyster samples. A Plackett-Burman factorial design has been used to optimize the microwave-assisted extraction and mild saponification on a freeze dried sample spiked with a mixture of aldrin, endrin, dieldrin, heptachlor, heptachorepoxide, isodrin, transnonachlor, p, p'-DDE, and p, p'-DDD. Six variables: solvent volume, extraction time, extraction temperature, amount of acetone (%) in the extractant solvent, amount of sample, and volume of NaOH solution were considered in the optimization process. The results show that the amount of sample is statistically significant for dieldrin, aldrin, p, p'-DDE, heptachlor, and transnonachlor and solvent volume for dieldrin, aldrin, and p, p'-DDE. The volume of NaOH solution is statistically significant for aldrin and p, p'-DDE only. Extraction temperature and extraction time seem to be the main factors determining the efficiency of extraction process for isodrin and p, p'-DDE, respectively. The optimized procedure was compared with conventional Soxhlet extraction.

Fabrication of compact and stable perovskite films with optimized precursor composition in the fast-growing procedure

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

Liu, Tanghao; Zhou, Yuanyuan; Hu, Qin

The fast-growing procedure (FGP) provides a simple, high-yield and lead (Pb)-release free method to prepare perovskite films. In the FGP, the ultra-dilute perovskite precursor solution is drop-cast onto a hot (~240 degrees C) substrate, where a perovskite film grows immediately accompanied by the rapid evaporation of the host solvent. In this process, all the raw materials in the precursor solution are deposited into the final perovskite film. The potential pollution caused by Pb can be significantly reduced. Properties of the FGP-processed perovskite films can be modulated by the precursor composition. While CH3NH3Cl (MACl) affects the crystallization process and leads tomore » full surface coverage, CH(NH2)2I (FAI) enhances the thermal stability of the film. Based on the optimized precursor composition of PbI2(1-x)FAI xMACl, x=0.75, FGP-processed planar heterojunction perovskite solar cells exhibit power conversion efficiencies (PCEs) exceeding 15% with suppressed hysteresis and excellent reproducibility.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

Within this paper, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. Additionally, the solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

In this article, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

DOE PAGES

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; ...

2017-12-01

In this article, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

DOE PAGES

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; ...

2017-08-24

Within this paper, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. Additionally, the solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Germanium recovery from gasification fly ash: evaluation of end-products obtained by precipitation methods.

PubMed

Arroyo, Fátima; Font, Oriol; Fernández-Pereira, Constantino; Querol, Xavier; Juan, Roberto; Ruiz, Carmen; Coca, Pilar

2009-08-15

In this study the purity of the germanium end-products obtained by two different precipitation methods carried out on germanium-bearing solutions was evaluated as a last step of a hydrometallurgy process for the recovery of this valuable element from the Puertollano Integrated Gasification Combined Cycle (IGCC) fly ash. Since H(2)S is produced as a by-product in the gas cleaning system of the Puertollano IGCC plant, precipitation of germanium as GeS(2) was tested by sulfiding the Ge-bearing solutions. The technological and hazardous issues that surround H(2)S handling conducted to investigate a novel precipitation procedure: precipitation as an organic complex by adding 1,2-dihydroxy benzene pyrocatechol (CAT) and cetyltrimethylammonium bromide (CTAB) to the Ge-bearing solutions. Relatively high purity Ge end-products (90 and 93% hexagonal-GeO(2) purity, respectively) were obtained by precipitating Ge from enriched solutions, as GeS(2) sulfiding the solutions with H(2)S, or as organic complex with CAT/CTAB mixtures and subsequent roasting of the precipitates. Both methods showed high efficiency (>99%) to precipitate selectively Ge using a single precipitation stage from germanium-bearing solutions.

Surface Immobilization of Transition Metal Ions on Nitrogen-Doped Graphene Realizing High-Efficient and Selective CO2 Reduction.

PubMed

Bi, Wentuan; Li, Xiaogang; You, Rui; Chen, Minglong; Yuan, Ruilin; Huang, Weixin; Wu, Xiaojun; Chu, Wangsheng; Wu, Changzheng; Xie, Yi

2018-05-01

Electrochemical conversion of CO 2 to value-added chemicals using renewable electricity provides a promising way to mitigate both global warming and the energy crisis. Here, a facile ion-adsorption strategy is reported to construct highly active graphene-based catalysts for CO 2 reduction to CO. The isolated transition metal cyclam-like moieties formed upon ion adsorption are found to contribute to the observed improvements. Free from the conventional harsh pyrolysis and acid-leaching procedures, this solution-chemistry strategy is easy to scale up and of general applicability, thus paving a rational avenue for the design of high-efficiency catalysts for CO 2 reduction and beyond. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultrasound-assisted extraction of rare-earth elements from carbonatite rocks.

PubMed

Diehl, Lisarb O; Gatiboni, Thais L; Mello, Paola A; Muller, Edson I; Duarte, Fabio A; Flores, Erico M M

2018-01-01

In view of the increasing demand for rare-earth elements (REE) in many areas of high technology, alternative methods for the extraction of these elements have been developed. In this work, a process based on the use of ultrasound for the extraction of REE from carbonatite (an igneous rock) is proposed to avoid the use of concentrated reagents, high temperature and excessive extraction time. In this pioneer work for REE extraction from carbonatite rocks in a preliminary investigation, ultrasonic baths, cup horn systems or ultrasound probes operating at different frequencies and power were evaluated. In addition, the power released to the extraction medium and the ultrasound amplitude were also investigated and the temperature and carbonatite mass/volume of extraction solution ratio were optimized to 70°C and 20mg/mL, respectively. Better extraction efficiencies (82%) were obtained employing an ultrasound probe operating at 20kHz for 15min, ultrasound amplitude of 40% (692Wdm -3 ) and using a diluted extraction solution (3% v/v HNO 3 +2% v/v HCl). It is important to mention that high extraction efficiency was obtained even using a diluted acid mixture and relatively low temperature in comparison to conventional extraction methods for REE. A comparison of results with those obtained by mechanical stirring (500rpm) using the same conditions (time, temperature and extraction solution) was carried out, showing that the use of ultrasound increased the extraction efficiency up to 35%. Therefore, the proposed ultrasound-assisted procedure can be considered as a suitable alternative for high efficiency extraction of REE from carbonatite rocks. Copyright © 2017 Elsevier B.V. All rights reserved.

Efficient Coupling of Fluid-Plasma and Monte-Carlo-Neutrals Models for Edge Plasma Transport

NASA Astrophysics Data System (ADS)

Dimits, A. M.; Cohen, B. I.; Friedman, A.; Joseph, I.; Lodestro, L. L.; Rensink, M. E.; Rognlien, T. D.; Sjogreen, B.; Stotler, D. P.; Umansky, M. V.

2017-10-01

UEDGE has been valuable for modeling transport in the tokamak edge and scrape-off layer due in part to its efficient fully implicit solution of coupled fluid neutrals and plasma models. We are developing an implicit coupling of the kinetic Monte-Carlo (MC) code DEGAS-2, as the neutrals model component, to the UEDGE plasma component, based on an extension of the Jacobian-free Newton-Krylov (JFNK) method to MC residuals. The coupling components build on the methods and coding already present in UEDGE. For the linear Krylov iterations, a procedure has been developed to ``extract'' a good preconditioner from that of UEDGE. This preconditioner may also be used to greatly accelerate the convergence rate of a relaxed fixed-point iteration, which may provide a useful ``intermediate'' algorithm. The JFNK method also requires calculation of Jacobian-vector products, for which any finite-difference procedure is inaccurate when a MC component is present. A semi-analytical procedure that retains the standard MC accuracy and fully kinetic neutrals physics is therefore being developed. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344 and LDRD project 15-ERD-059, by PPPL under Contract DE-AC02-09CH11466, and supported in part by the U.S. DOE, OFES.

Application of ionic liquids based enzyme-assisted extraction of chlorogenic acid from Eucommia ulmoides leaves.

PubMed

Liu, Tingting; Sui, Xiaoyu; Li, Li; Zhang, Jie; Liang, Xin; Li, Wenjing; Zhang, Honglian; Fu, Shuang

2016-01-15

A new approach for ionic liquid based enzyme-assisted extraction (ILEAE) of chlorogenic acid (CGA) from Eucommia ulmoides is presented in which enzyme pretreatment was used in ionic liquids aqueous media to enhance extraction yield. For this purpose, the solubility of CGA and the activity of cellulase were investigated in eight 1-alkyl-3-methylimidazolium ionic liquids. Cellulase in 0.5 M [C6mim]Br aqueous solution was found to provide better performance in extraction. The factors of ILEAE procedures including extraction time, extraction phase pH, extraction temperatures and enzyme concentrations were investigated. Moreover, the novel developed approach offered advantages in term of yield and efficiency compared with other conventional extraction techniques. Scanning electronic microscopy of plant samples indicated that cellulase treated cell wall in ionic liquid solution was subjected to extract, which led to more efficient extraction by reducing mass transfer barrier. The proposed ILEAE method would develope a continuous process for enzyme-assisted extraction including enzyme incubation and solvent extraction process. In this research, we propose a novel view for enzyme-assisted extraction of plant active component, besides concentrating on enzyme facilitated cell wall degradation, focusing on improvement of bad permeability of ionic liquids solutions. Copyright © 2015 Elsevier B.V. All rights reserved.

Double point source W-phase inversion: Real-time implementation and automated model selection

USGS Publications Warehouse

Nealy, Jennifer; Hayes, Gavin

2015-01-01

Rapid and accurate characterization of an earthquake source is an extremely important and ever evolving field of research. Within this field, source inversion of the W-phase has recently been shown to be an effective technique, which can be efficiently implemented in real-time. An extension to the W-phase source inversion is presented in which two point sources are derived to better characterize complex earthquakes. A single source inversion followed by a double point source inversion with centroid locations fixed at the single source solution location can be efficiently run as part of earthquake monitoring network operational procedures. In order to determine the most appropriate solution, i.e., whether an earthquake is most appropriately described by a single source or a double source, an Akaike information criterion (AIC) test is performed. Analyses of all earthquakes of magnitude 7.5 and greater occurring since January 2000 were performed with extended analyses of the September 29, 2009 magnitude 8.1 Samoa earthquake and the April 19, 2014 magnitude 7.5 Papua New Guinea earthquake. The AIC test is shown to be able to accurately select the most appropriate model and the selected W-phase inversion is shown to yield reliable solutions that match published analyses of the same events.

Efficient Terahertz Wide-Angle NUFFT-Based Inverse Synthetic Aperture Imaging Considering Spherical Wavefront.

PubMed

Gao, Jingkun; Deng, Bin; Qin, Yuliang; Wang, Hongqiang; Li, Xiang

2016-12-14

An efficient wide-angle inverse synthetic aperture imaging method considering the spherical wavefront effects and suitable for the terahertz band is presented. Firstly, the echo signal model under spherical wave assumption is established, and the detailed wavefront curvature compensation method accelerated by 1D fast Fourier transform (FFT) is discussed. Then, to speed up the reconstruction procedure, the fast Gaussian gridding (FGG)-based nonuniform FFT (NUFFT) is employed to focus the image. Finally, proof-of-principle experiments are carried out and the results are compared with the ones obtained by the convolution back-projection (CBP) algorithm. The results demonstrate the effectiveness and the efficiency of the presented method. This imaging method can be directly used in the field of nondestructive detection and can also be used to provide a solution for the calculation of the far-field RCSs (Radar Cross Section) of targets in the terahertz regime.

Adaptive process control using fuzzy logic and genetic algorithms

NASA Technical Reports Server (NTRS)

Karr, C. L.

1993-01-01

Researchers at the U.S. Bureau of Mines have developed adaptive process control systems in which genetic algorithms (GA's) are used to augment fuzzy logic controllers (FLC's). GA's are search algorithms that rapidly locate near-optimum solutions to a wide spectrum of problems by modeling the search procedures of natural genetics. FLC's are rule based systems that efficiently manipulate a problem environment by modeling the 'rule-of-thumb' strategy used in human decision making. Together, GA's and FLC's possess the capabilities necessary to produce powerful, efficient, and robust adaptive control systems. To perform efficiently, such control systems require a control element to manipulate the problem environment, and a learning element to adjust to the changes in the problem environment. Details of an overall adaptive control system are discussed. A specific laboratory acid-base pH system is used to demonstrate the ideas presented.

Adaptive Process Control with Fuzzy Logic and Genetic Algorithms

NASA Technical Reports Server (NTRS)

Karr, C. L.

1993-01-01

Researchers at the U.S. Bureau of Mines have developed adaptive process control systems in which genetic algorithms (GA's) are used to augment fuzzy logic controllers (FLC's). GA's are search algorithms that rapidly locate near-optimum solutions to a wide spectrum of problems by modeling the search procedures of natural genetics. FLC's are rule based systems that efficiently manipulate a problem environment by modeling the 'rule-of-thumb' strategy used in human decision-making. Together, GA's and FLC's possess the capabilities necessary to produce powerful, efficient, and robust adaptive control systems. To perform efficiently, such control systems require a control element to manipulate the problem environment, an analysis element to recognize changes in the problem environment, and a learning element to adjust to the changes in the problem environment. Details of an overall adaptive control system are discussed. A specific laboratory acid-base pH system is used to demonstrate the ideas presented.

Genetic algorithms in adaptive fuzzy control

NASA Technical Reports Server (NTRS)

Karr, C. Lucas; Harper, Tony R.

1992-01-01

Researchers at the U.S. Bureau of Mines have developed adaptive process control systems in which genetic algorithms (GA's) are used to augment fuzzy logic controllers (FLC's). GA's are search algorithms that rapidly locate near-optimum solutions to a wide spectrum of problems by modeling the search procedures of natural genetics. FLC's are rule based systems that efficiently manipulate a problem environment by modeling the 'rule-of-thumb' strategy used in human decision making. Together, GA's and FLC's possess the capabilities necessary to produce powerful, efficient, and robust adaptive control systems. To perform efficiently, such control systems require a control element to manipulate the problem environment, an analysis element to recognize changes in the problem environment, and a learning element to adjust fuzzy membership functions in response to the changes in the problem environment. Details of an overall adaptive control system are discussed. A specific computer-simulated chemical system is used to demonstrate the ideas presented.

Removal and deposition efficiencies of the long-lived 222Rn daughters during etching of germanium surfaces

NASA Astrophysics Data System (ADS)

Zuzel, G.; Wójcik, M.; Majorovits, B.; Lampert, M. O.; Wendling, P.

2012-06-01

Removal and deposition efficiencies of the long-lived 222Rn daughters during etching from and onto surfaces of standard and high purity germanium were investigated. The standard etching procedure of Canberra-France used during production of high purity n-type germanium diodes was applied to germanium discs, which have been exposed earlier to a strong radon source for deposition of its progenies. An uncontaminated sample was etched in a solution containing 210Pb, 210Bi and 210Po. All isotopes were measured before and after etching with appropriate detectors. In contrast to copper and stainless steel, they were removed from germanium very efficiently. However, the reverse process was also observed. Considerable amounts of radioactive lead, bismuth and polonium isotopes present initially in the artificially polluted etchant were transferred to the clean high purity surface during processing of the sample.

Removal of brownish-black tarnish on silver-copper alloy objects with sodium glycinate

NASA Astrophysics Data System (ADS)

de Figueiredo, João Cura D.'Ars; Asevedo, Samara Santos; Barbosa, João Henrique Ribeiro

2014-10-01

This article has the principal aim of presenting a new method of chemical cleaning of tarnished silver-copper alloy objects. The chemical cleaning must be harmless to the health, selective to tarnish removal, and easy to use. Sodium glycinate was selected for the study. The reactions of sodium glycinate with tarnish and the silver-copper alloy were evaluated. Products of the reaction, the lixiviated material, and the esthetics of silver-copper alloy coins (used as prototypes) were studied to evaluate if the proposed method can be applied to the cleaning of silver objects. Silver-copper alloys can be deteriorated through a uniform and superficial corrosion process that produces brownish-black tarnish. This tarnish alters the esthetic of the object. The cleaning of artistic and archeological objects requires more caution than regular cleaning, and it must take into account the procedures for the conservation and restoration of cultural heritage. There are different methods for cleaning silver-copper alloy objects, chemical cleaning is one of them. We studied two chemical cleaning methods that use sodium glycinate and sodium acetylglycinate solutions. Silver-copper alloy coins were artificially corroded in a basic thiourea solution and immersed in solutions of sodium glycinate and sodium acetylglycinate. After immersion, optical microscopy and scanning electron microscopy of the surfaces were studied. The sodium glycinate solution was shown to be very efficient in removing the brownish-black tarnish. Absorption spectroscopy measured the percentage of silver and copper lixiviated in immersion baths, and very small quantities of these metals were detected. Infrared absorption spectroscopy and X-ray fluorescence characterized the obtained products. The greater efficiency of the sodium glycinate solution compared to the sodium acetylglycinate solution was explained by chelation and Hard-Soft Acid-Base Theory with the aid of quantum chemical calculations.

Development and application of unified algorithms for problems in computational science

NASA Technical Reports Server (NTRS)

Shankar, Vijaya; Chakravarthy, Sukumar

1987-01-01

A framework is presented for developing computationally unified numerical algorithms for solving nonlinear equations that arise in modeling various problems in mathematical physics. The concept of computational unification is an attempt to encompass efficient solution procedures for computing various nonlinear phenomena that may occur in a given problem. For example, in Computational Fluid Dynamics (CFD), a unified algorithm will be one that allows for solutions to subsonic (elliptic), transonic (mixed elliptic-hyperbolic), and supersonic (hyperbolic) flows for both steady and unsteady problems. The objectives are: development of superior unified algorithms emphasizing accuracy and efficiency aspects; development of codes based on selected algorithms leading to validation; application of mature codes to realistic problems; and extension/application of CFD-based algorithms to problems in other areas of mathematical physics. The ultimate objective is to achieve integration of multidisciplinary technologies to enhance synergism in the design process through computational simulation. Specific unified algorithms for a hierarchy of gas dynamics equations and their applications to two other areas: electromagnetic scattering, and laser-materials interaction accounting for melting.

Efficient solution of 3D electromagnetic eddy-current problems within the finite volume framework of OpenFOAM

NASA Astrophysics Data System (ADS)

Beckstein, Pascal; Galindo, Vladimir; Vukčević, Vuko

2017-09-01

Eddy-current problems occur in a wide range of industrial and metallurgical applications where conducting material is processed inductively. Motivated by realising coupled multi-physics simulations, we present a new method for the solution of such problems in the finite volume framework of foam-extend, an extended version of the very popular OpenFOAM software. The numerical procedure involves a semi-coupled multi-mesh approach to solve Maxwell's equations for non-magnetic materials by means of the Coulomb gauged magnetic vector potential A and the electric scalar potential ϕ. The concept is further extended on the basis of the impressed and reduced magnetic vector potential and its usage in accordance with Biot-Savart's law to achieve a very efficient overall modelling even for complex three-dimensional geometries. Moreover, we present a special discretisation scheme to account for possible discontinuities in the electrical conductivity. To complement our numerical method, an extensive validation is completing the paper, which provides insight into the behaviour and the potential of our approach.

A novel gel based vehicle for the delivery of acetylcholine in quantitative sudomotor axon reflex testing.

PubMed

Sletten, David M; Kimpinski, Kurt; Weigand, Stephen D; Low, Phillip A

2009-10-05

This study describes a novel gel based vehicle for the delivery of acetylcholine (ACh) during quantitative sudomotor axon reflex testing (QSART). A dose and current response study were undertaken on 20 healthy control participants to characterize the efficiency of a gel based vehicle for the delivery of ACh. Values obtained for total sweat volume and latency to sweat onset with gel iontophoresis of ACh during QSART were comparable to previously published normative data using solution based vehicles. Patient discomfort, utilizing the gel based vehicle during the QSART procedure, was minimal. Improvement in iontophoresis using the gel formulation as a vehicle for ACh delivery has the potential to lower the voltage required to overcome skin resistance during QSART and may result in improved patient comfort during the procedure.

Waste collection in developing countries - Tackling occupational safety and health hazards at their source

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

Bleck, Daniela, E-mail: bleck.daniela@baua.bund.de; Wettberg, Wieland, E-mail: wettberg.wieland@baua.bund.de

2012-11-15

Waste management procedures in developing countries are associated with occupational safety and health risks. Gastro-intestinal infections, respiratory and skin diseases as well as muscular-skeletal problems and cutting injuries are commonly found among waste workers around the globe. In order to find efficient, sustainable solutions to reduce occupational risks of waste workers, a methodological risk assessment has to be performed and counteractive measures have to be developed according to an internationally acknowledged hierarchy. From a case study in Addis Ababa, Ethiopia suggestions for the transferral of collected household waste into roadside containers are given. With construction of ramps to dump collectedmore » household waste straight into roadside containers and an adaptation of pushcarts and collection procedures, the risk is tackled at the source.« less

Hybrid Grid Techniques for Propulsion Applications

NASA Technical Reports Server (NTRS)

Koomullil, Roy P.; Soni, Bharat K.; Thornburg, Hugh J.

1996-01-01

During the past decade, computational simulation of fluid flow for propulsion activities has progressed significantly, and many notable successes have been reported in the literature. However, the generation of a high quality mesh for such problems has often been reported as a pacing item. Hence, much effort has been expended to speed this portion of the simulation process. Several approaches have evolved for grid generation. Two of the most common are structured multi-block, and unstructured based procedures. Structured grids tend to be computationally efficient, and have high aspect ratio cells necessary for efficently resolving viscous layers. Structured multi-block grids may or may not exhibit grid line continuity across the block interface. This relaxation of the continuity constraint at the interface is intended to ease the grid generation process, which is still time consuming. Flow solvers supporting non-contiguous interfaces require specialized interpolation procedures which may not ensure conservation at the interface. Unstructured or generalized indexing data structures offer greater flexibility, but require explicit connectivity information and are not easy to generate for three dimensional configurations. In addition, unstructured mesh based schemes tend to be less efficient and it is difficult to resolve viscous layers. Recently hybrid or generalized element solution and grid generation techniques have been developed with the objective of combining the attractive features of both structured and unstructured techniques. In the present work, recently developed procedures for hybrid grid generation and flow simulation are critically evaluated, and compared to existing structured and unstructured procedures in terms of accuracy and computational requirements.

A multiobjective hybrid genetic algorithm for the capacitated multipoint network design problem.

PubMed

Lo, C C; Chang, W H

2000-01-01

The capacitated multipoint network design problem (CMNDP) is NP-complete. In this paper, a hybrid genetic algorithm for CMNDP is proposed. The multiobjective hybrid genetic algorithm (MOHGA) differs from other genetic algorithms (GAs) mainly in its selection procedure. The concept of subpopulation is used in MOHGA. Four subpopulations are generated according to the elitism reservation strategy, the shifting Prufer vector, the stochastic universal sampling, and the complete random method, respectively. Mixing these four subpopulations produces the next generation population. The MOHGA can effectively search the feasible solution space due to population diversity. The MOHGA has been applied to CMNDP. By examining computational and analytical results, we notice that the MOHGA can find most nondominated solutions and is much more effective and efficient than other multiobjective GAs.

The reduced basis method for the electric field integral equation

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

Fares, M., E-mail: fares@cerfacs.f; Hesthaven, J.S., E-mail: Jan_Hesthaven@Brown.ed; Maday, Y., E-mail: maday@ann.jussieu.f

We introduce the reduced basis method (RBM) as an efficient tool for parametrized scattering problems in computational electromagnetics for problems where field solutions are computed using a standard Boundary Element Method (BEM) for the parametrized electric field integral equation (EFIE). This combination enables an algorithmic cooperation which results in a two step procedure. The first step consists of a computationally intense assembling of the reduced basis, that needs to be effected only once. In the second step, we compute output functionals of the solution, such as the Radar Cross Section (RCS), independently of the dimension of the discretization space, formore » many different parameter values in a many-query context at very little cost. Parameters include the wavenumber, the angle of the incident plane wave and its polarization.« less

Three-Dimensional Incompressible Navier-Stokes Flow Computations about Complete Configurations Using a Multiblock Unstructured Grid Approach

NASA Technical Reports Server (NTRS)

Sheng, Chunhua; Hyams, Daniel G.; Sreenivas, Kidambi; Gaither, J. Adam; Marcum, David L.; Whitfield, David L.

2000-01-01

A multiblock unstructured grid approach is presented for solving three-dimensional incompressible inviscid and viscous turbulent flows about complete configurations. The artificial compressibility form of the governing equations is solved by a node-based, finite volume implicit scheme which uses a backward Euler time discretization. Point Gauss-Seidel relaxations are used to solve the linear system of equations at each time step. This work employs a multiblock strategy to the solution procedure, which greatly improves the efficiency of the algorithm by significantly reducing the memory requirements by a factor of 5 over the single-grid algorithm while maintaining a similar convergence behavior. The numerical accuracy of solutions is assessed by comparing with the experimental data for a submarine with stem appendages and a high-lift configuration.

A spectral tau algorithm based on Jacobi operational matrix for numerical solution of time fractional diffusion-wave equations

NASA Astrophysics Data System (ADS)

Bhrawy, A. H.; Doha, E. H.; Baleanu, D.; Ezz-Eldien, S. S.

2015-07-01

In this paper, an efficient and accurate spectral numerical method is presented for solving second-, fourth-order fractional diffusion-wave equations and fractional wave equations with damping. The proposed method is based on Jacobi tau spectral procedure together with the Jacobi operational matrix for fractional integrals, described in the Riemann-Liouville sense. The main characteristic behind this approach is to reduce such problems to those of solving systems of algebraic equations in the unknown expansion coefficients of the sought-for spectral approximations. The validity and effectiveness of the method are demonstrated by solving five numerical examples. Numerical examples are presented in the form of tables and graphs to make comparisons with the results obtained by other methods and with the exact solutions more easier.

Characterization of bonded stationary phase performance as a function of qualitative and quantitative chromatographic factors in chaotropic chromatography with risperidone and its impurities as model substances.

PubMed

Čolović, Jelena; Rmandić, Milena; Malenović, Anđelija

2018-05-17

Numerous stationary phases have been developed with the aim to provide desired performances during chromatographic analysis of the basic solutes in their protonated form. In this work, the procedure for the characterization of bonded stationary phase performance, when both qualitative and quantitative chromatographic factors were varied in chaotropic chromatography, was proposed. Risperidone and its three impurities were selected as model substances, while acetonitrile content in the mobile phase (20-30%), the pH of the aqueous phase (3.00-5.00), the content of chaotropic agents in the aqueous phase (10-100 mM), type of chaotropic agent (NaClO 4 , CF 3 COONa), and stationary phase type (Zorbax Eclipse XDB, Zorbax Extend) were studied as chromatographic factors. The proposed procedure implies the combination of D-optimal experimental design, indirect modeling, and polynomial-modified Gaussian model, while grid point search method was selected for the final choice of the experimental conditions which lead to the best possible stationary phase performance for basic solutes. Good agreement between experimentally obtained chromatogram and simulated chromatogram for chosen experimental conditions (25% acetonitrile, 75 mM of NaClO 4 , pH 4.00 on Zorbax Eclipse XDB column) confirmed the applicability of the proposed procedure. The additional point was selected for the verification of proposed procedure ability to distinguish changes in solutes' elution order. Simulated chromatogram for 21.5% acetonitrile, 85 mM of NaClO 4 , pH 5.00 on Zorbax Eclipse XDB column was in line with experimental data. Furthermore, the values of left and right peak half-widths obtained from indirect modeling were used in order to evaluate performances of differently modified stationary phases applying a half-width plots approach. The results from half-width plot approach as well as from the proposed procedure indicate higher efficiency and better separation performance of the stationary phase extra densely bonded and double end-capped with trimethylsilyl group than the stationary phase with the combination of end-capping and bidentate silane bonding for chromatographic analysis of basic solutes in RP-HPLC systems with chaotropic agents. Graphical abstract ᅟ.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

We present two efficient iterative algorithms for solving the linear response eigen- value problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into a product eigenvalue problem that is self-adjoint with respect to a K-inner product. This product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-innermore » product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. However, the other component of the eigenvector can be easily recovered in a postprocessing procedure. Therefore, the algorithms we present here are more efficient than existing algorithms that try to approximate both components of the eigenvectors simultaneously. The efficiency of the new algorithms is demonstrated by numerical examples.« less

Collaboration, Automation, and Information Management at Hanford High Level Radioactive Waste (HLW) Tank Farms

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

Aurah, Mirwaise Y.; Roberts, Mark A.

Washington River Protection Solutions (WRPS), operator of High Level Radioactive Waste (HLW) Tank Farms at the Hanford Site, is taking an over 20-year leap in technology, replacing systems that were monitored with clipboards and obsolete computer systems, as well as solving major operations and maintenance hurdles in the area of process automation and information management. While WRPS is fully compliant with procedures and regulations, the current systems are not integrated and do not share data efficiently, hampering how information is obtained and managed.

Finite element analysis and computer graphics visualization of flow around pitching and plunging airfoils

NASA Technical Reports Server (NTRS)

Bratanow, T.; Ecer, A.

1973-01-01

A general computational method for analyzing unsteady flow around pitching and plunging airfoils was developed. The finite element method was applied in developing an efficient numerical procedure for the solution of equations describing the flow around airfoils. The numerical results were employed in conjunction with computer graphics techniques to produce visualization of the flow. The investigation involved mathematical model studies of flow in two phases: (1) analysis of a potential flow formulation and (2) analysis of an incompressible, unsteady, viscous flow from Navier-Stokes equations.

Handbook for industrial noise control

NASA Technical Reports Server (NTRS)

1981-01-01

The basic principles of sound, measuring techniques, and instrumentation associated with general purpose noise control are discussed. Means for identifying and characterizing a noise problem so that subsequent work may provide the most efficient and cost effective solution are outlined. A methodology for choosing appropriate noise control materials and the proper implementation of control procedures is detailed. The most significant NASA sponsored contributions to the state of the art development of optimum noise control technologies are described including cases in which aeroacoustics and related research have shed some light on ways of reducing noise generation at its source.

Handbook for industrial noise control

NASA Astrophysics Data System (ADS)

The basic principles of sound, measuring techniques, and instrumentation associated with general purpose noise control are discussed. Means for identifying and characterizing a noise problem so that subsequent work may provide the most efficient and cost effective solution are outlined. A methodology for choosing appropriate noise control materials and the proper implementation of control procedures is detailed. The most significant NASA sponsored contributions to the state of the art development of optimum noise control technologies are described including cases in which aeroacoustics and related research have shed some light on ways of reducing noise generation at its source.

The MHOST finite element program: 3-D inelastic analysis methods for hot section components. Volume 3: Systems' manual

NASA Technical Reports Server (NTRS)

Nakazawa, Shohei

1989-01-01

The internal structure is discussed of the MHOST finite element program designed for 3-D inelastic analysis of gas turbine hot section components. The computer code is the first implementation of the mixed iterative solution strategy for improved efficiency and accuracy over the conventional finite element method. The control structure of the program is covered along with the data storage scheme and the memory allocation procedure and the file handling facilities including the read and/or write sequences.

Heat storage in alloy transformations

NASA Technical Reports Server (NTRS)

Birchenall, C. E.; Gueceri, S. I.

1980-01-01

The theory of eutectic transformation was examined to find guidelines to the best material combinations to examine. The heats of transformation were measured calorimetrically, and the volume changes of expanding solid mixtures and homogeneous liquid solutions, especially during the transformation between the two states at fixed temperature, were measured by changes in X-ray absorption. Heat flow models appropriate to storage in phase change materials were developed along with efficient calculating procedures so that the relative importance of the problems associated with energy storage density, heat conduction, and similar properties could be assessed.

Iterative pass optimization of sequence data

NASA Technical Reports Server (NTRS)

Wheeler, Ward C.

2003-01-01

The problem of determining the minimum-cost hypothetical ancestral sequences for a given cladogram is known to be NP-complete. This "tree alignment" problem has motivated the considerable effort placed in multiple sequence alignment procedures. Wheeler in 1996 proposed a heuristic method, direct optimization, to calculate cladogram costs without the intervention of multiple sequence alignment. This method, though more efficient in time and more effective in cladogram length than many alignment-based procedures, greedily optimizes nodes based on descendent information only. In their proposal of an exact multiple alignment solution, Sankoff et al. in 1976 described a heuristic procedure--the iterative improvement method--to create alignments at internal nodes by solving a series of median problems. The combination of a three-sequence direct optimization with iterative improvement and a branch-length-based cladogram cost procedure, provides an algorithm that frequently results in superior (i.e., lower) cladogram costs. This iterative pass optimization is both computation and memory intensive, but economies can be made to reduce this burden. An example in arthropod systematics is discussed. c2003 The Willi Hennig Society. Published by Elsevier Science (USA). All rights reserved.

10 CFR 431.16 - Test procedures for the measurement of energy efficiency.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 3 2011-01-01 2011-01-01 false Test procedures for the measurement of energy efficiency. 431.16 Section 431.16 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR... Methods of Determining Efficiency § 431.16 Test procedures for the measurement of energy efficiency. For...

10 CFR 431.16 - Test procedures for the measurement of energy efficiency.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 3 2010-01-01 2010-01-01 false Test procedures for the measurement of energy efficiency. 431.16 Section 431.16 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR... Methods of Determining Efficiency § 431.16 Test procedures for the measurement of energy efficiency. For...

76 FR 47178 - Energy Efficiency Program: Test Procedure for Lighting Systems (Luminaires)

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-04

...: Test Procedure for Lighting Systems (Luminaires) AGENCY: Office of Energy Efficiency and Renewable... (``DOE'' or the ``Department'') is currently evaluating energy efficiency test procedures for luminaires... products. DOE recognizes that well-designed test procedures are important to produce reliable, repeatable...

Combined Simulated Annealing and Genetic Algorithm Approach to Bus Network Design

NASA Astrophysics Data System (ADS)

Liu, Li; Olszewski, Piotr; Goh, Pong-Chai

A new method - combined simulated annealing (SA) and genetic algorithm (GA) approach is proposed to solve the problem of bus route design and frequency setting for a given road network with fixed bus stop locations and fixed travel demand. The method involves two steps: a set of candidate routes is generated first and then the best subset of these routes is selected by the combined SA and GA procedure. SA is the main process to search for a better solution to minimize the total system cost, comprising user and operator costs. GA is used as a sub-process to generate new solutions. Bus demand assignment on two alternative paths is performed at the solution evaluation stage. The method was implemented on four theoretical grid networks of different size and a benchmark network. Several GA operators (crossover and mutation) were utilized and tested for their effectiveness. The results show that the proposed method can efficiently converge to the optimal solution on a small network but computation time increases significantly with network size. The method can also be used for other transport operation management problems.

An analysis for high Reynolds number inviscid/viscid interactions in cascades

NASA Technical Reports Server (NTRS)

Barnett, Mark; Verdon, Joseph M.; Ayer, Timothy C.

1993-01-01

An efficient steady analysis for predicting strong inviscid/viscid interaction phenomena such as viscous-layer separation, shock/boundary-layer interaction, and trailing-edge/near-wake interaction in turbomachinery blade passages is needed as part of a comprehensive analytical blade design prediction system. Such an analysis is described. It uses an inviscid/viscid interaction approach, in which the flow in the outer inviscid region is assumed to be potential, and that in the inner or viscous-layer region is governed by Prandtl's equations. The inviscid solution is determined using an implicit, least-squares, finite-difference approximation, the viscous-layer solution using an inverse, finite-difference, space-marching method which is applied along the blade surfaces and wake streamlines. The inviscid and viscid solutions are coupled using a semi-inverse global iteration procedure, which permits the prediction of boundary-layer separation and other strong-interaction phenomena. Results are presented for three cascades, with a range of inlet flow conditions considered for one of them, including conditions leading to large-scale flow separations. Comparisons with Navier-Stokes solutions and experimental data are also given.

A solution-adaptive hybrid-grid method for the unsteady analysis of turbomachinery

NASA Technical Reports Server (NTRS)

Mathur, Sanjay R.; Madavan, Nateri K.; Rajagopalan, R. G.

1993-01-01

A solution-adaptive method for the time-accurate analysis of two-dimensional flows in turbomachinery is described. The method employs a hybrid structured-unstructured zonal grid topology in conjunction with appropriate modeling equations and solution techniques in each zone. The viscous flow region in the immediate vicinity of the airfoils is resolved on structured O-type grids while the rest of the domain is discretized using an unstructured mesh of triangular cells. Implicit, third-order accurate, upwind solutions of the Navier-Stokes equations are obtained in the inner regions. In the outer regions, the Euler equations are solved using an explicit upwind scheme that incorporates a second-order reconstruction procedure. An efficient and robust grid adaptation strategy, including both grid refinement and coarsening capabilities, is developed for the unstructured grid regions. Grid adaptation is also employed to facilitate information transfer at the interfaces between unstructured grids in relative motion. Results for grid adaptation to various features pertinent to turbomachinery flows are presented. Good comparisons between the present results and experimental measurements and earlier structured-grid results are obtained.

Effects of Eurocollins solution as aortic flush for the procurement of human pancreas.

PubMed

Gonzalez, Adriano M; Filho, Gaspar J Lopes; Pestana, José O M; Linhares, Marcelo M; Silva, Maria Helena G; Moura, Rita Maria A M; Melaragno, Cláudio; de Sá, João Roberto; Rangel, Erica B; Trivino, Tarcisio

2005-11-15

Belzer solution is considered to be the best preservation media used for pancreas transplantation; however, its high cost accounts for approximately 14.5% of all resources allocated by the Brazilian government toward each pancreatic transplant. The objective of the present study was to test a reduction of Belzer solution during pancreas harvest, thereby lowering procedural cost. The patients received pancreas-kidney transplantations during the period from January 2003 to August 2004. Patients were divided into two groups. Patients assigned to Group A (n=30) received only Belzer solution (2 L through the aorta artery), whereas patients in Group B (n=16) were perfused first with 1 L of Eurocollins solution followed by 1 L of Belzer solution. The two groups were assessed for differences in the following clinical parameters: the need for insulin replacement or antifungal and anticytomegalovirus treatment, pancreatitis, acute cellular rejection, graft vascular thrombosis, fistulas, intra-abdominal collection, graft loss, deaths, pancreatic ischemia time, and average hospitalization time. No statistically significant differences were observed in any of the parameters analyzed (P<0.05). The use of Eurocollins solution, followed by Belzer solution during pancreas harvesting, did not result in differences in graft survival or functionality, postsurgical complications, or patient survival and hospitalization time, when compared to the use of Belzer solution alone. Perfusion with 1 L of Eurocollins solution followed by 1 L of Belzer solution during pancreas harvesting seems to be a simple and efficient alternative for reducing the costs of the harvesting process.

Response of a Rotating Propeller to Aerodynamic Excitation

NASA Technical Reports Server (NTRS)

Arnoldi, Walter E.

1949-01-01

The flexural vibration of a rotating propeller blade with clamped shank is analyzed with the object of presenting, in matrix form, equations for the elastic bending moments in forced vibration resulting from aerodynamic forces applied at a fixed multiple of rotational speed. Matrix equations are also derived which define the critical speeds end mode shapes for any excitation order and the relation between critical speed and blade angle. Reference is given to standard works on the numerical solution of matrix equations of the forms derived. The use of a segmented blade as an approximation to a continuous blade provides a simple means for obtaining the matrix solution from the integral equation of equilibrium, so that, in the numerical application of the method presented, the several matrix arrays of the basic physical characteristics of the propeller blade are of simple form, end their simplicity is preserved until, with the solution in sight, numerical manipulations well-known in matrix algebra yield the desired critical speeds and mode shapes frame which the vibration at any operating condition may be synthesized. A close correspondence between the familiar Stodola method and the matrix method is pointed out, indicating that any features of novelty are characteristic not of the analytical procedure but only of the abbreviation, condensation, and efficient organization of the numerical procedure made possible by the use of classical matrix theory.

Effect of mixing techniques on bacterial attachment and disinfection time of polyether impression material

PubMed Central

Guler, Umut; Budak, Yasemin; Ruh, Emrah; Ocal, Yesim; Canay, Senay; Akyon, Yakut

2013-01-01

Objective: The aim of this study was 2-fold. The first aim was to evaluate the effects of mixing technique (hand-mixing or auto-mixing) on bacterial attachment to polyether impression materials. The second aim was to determine whether bacterial attachment to these materials was affected by length of exposure to disinfection solutions. Materials and Methods: Polyether impression material samples (n = 144) were prepared by hand-mixing or auto-mixing. Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa were used in testing. After incubation, the bacterial colonies were counted and then disinfectant solution was applied. The effect of disinfection solution was evaluated just after the polymerization of impression material and 30 min after polymerization. Differences in adherence of bacteria to the samples prepared by hand-mixing and to those prepared by auto-mixing were assessed by Kruskal-Wallis and Mann-Whitney U-tests. For evaluating the efficiency of the disinfectant, Kruskal-Wallis multiple comparisons test was used. Results: E. coli counts were higher in hand-mixed materials (P < 0.05); no other statistically significant differences were found between hand- and auto-mixed materials. According to the Kruskal-Wallis test, significant differences were found between the disinfection procedures (Z > 2.394). Conclusion: The methods used for mixing polyether impression material did not affect bacterial attachment to impression surfaces. In contrast, the disinfection procedure greatly affects decontamination of the impression surface. PMID:24966729

Effect of mixing techniques on bacterial attachment and disinfection time of polyether impression material.

PubMed

Guler, Umut; Budak, Yasemin; Ruh, Emrah; Ocal, Yesim; Canay, Senay; Akyon, Yakut

2013-09-01

The aim of this study was 2-fold. The first aim was to evaluate the effects of mixing technique (hand-mixing or auto-mixing) on bacterial attachment to polyether impression materials. The second aim was to determine whether bacterial attachment to these materials was affected by length of exposure to disinfection solutions. Polyether impression material samples (n = 144) were prepared by hand-mixing or auto-mixing. Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa were used in testing. After incubation, the bacterial colonies were counted and then disinfectant solution was applied. The effect of disinfection solution was evaluated just after the polymerization of impression material and 30 min after polymerization. Differences in adherence of bacteria to the samples prepared by hand-mixing and to those prepared by auto-mixing were assessed by Kruskal-Wallis and Mann-Whitney U-tests. For evaluating the efficiency of the disinfectant, Kruskal-Wallis multiple comparisons test was used. E. coli counts were higher in hand-mixed materials (P < 0.05); no other statistically significant differences were found between hand- and auto-mixed materials. According to the Kruskal-Wallis test, significant differences were found between the disinfection procedures (Z > 2.394). The methods used for mixing polyether impression material did not affect bacterial attachment to impression surfaces. In contrast, the disinfection procedure greatly affects decontamination of the impression surface.

An Inviscid Decoupled Method for the Roe FDS Scheme in the Reacting Gas Path of FUN3D

NASA Technical Reports Server (NTRS)

Thompson, Kyle B.; Gnoffo, Peter A.

2016-01-01

An approach is described to decouple the species continuity equations from the mixture continuity, momentum, and total energy equations for the Roe flux difference splitting scheme. This decoupling simplifies the implicit system, so that the flow solver can be made significantly more efficient, with very little penalty on overall scheme robustness. Most importantly, the computational cost of the point implicit relaxation is shown to scale linearly with the number of species for the decoupled system, whereas the fully coupled approach scales quadratically. Also, the decoupled method significantly reduces the cost in wall time and memory in comparison to the fully coupled approach. This work lays the foundation for development of an efficient adjoint solution procedure for high speed reacting flow.

Metalevel programming in robotics: Some issues

NASA Technical Reports Server (NTRS)

Kumarn, A.; Parameswaran, N.

1987-01-01

Computing in robotics has two important requirements: efficiency and flexibility. Algorithms for robot actions are implemented usually in procedural languages such as VAL and AL. But, since their excessive bindings create inflexible structures of computation, it is proposed that Logic Programming is a more suitable language for robot programming due to its non-determinism, declarative nature, and provision for metalevel programming. Logic Programming, however, results in inefficient computations. As a solution to this problem, researchers discuss a framework in which controls can be described to improve efficiency. They have divided controls into: (1) in-code and (2) metalevel and discussed them with reference to selection of rules and dataflow. Researchers illustrated the merit of Logic Programming by modelling the motion of a robot from one point to another avoiding obstacles.

A solution procedure for mixed-integer nonlinear programming formulation of supply chain planning with quantity discounts under demand uncertainty

NASA Astrophysics Data System (ADS)

Yin, Sisi; Nishi, Tatsushi

2014-11-01

Quantity discount policy is decision-making for trade-off prices between suppliers and manufacturers while production is changeable due to demand fluctuations in a real market. In this paper, quantity discount models which consider selection of contract suppliers, production quantity and inventory simultaneously are addressed. The supply chain planning problem with quantity discounts under demand uncertainty is formulated as a mixed-integer nonlinear programming problem (MINLP) with integral terms. We apply an outer-approximation method to solve MINLP problems. In order to improve the efficiency of the proposed method, the problem is reformulated as a stochastic model replacing the integral terms by using a normalisation technique. We present numerical examples to demonstrate the efficiency of the proposed method.

A computational approach for hypersonic nonequilibrium radiation utilizing space partition algorithm and Gauss quadrature

NASA Astrophysics Data System (ADS)

Shang, J. S.; Andrienko, D. A.; Huang, P. G.; Surzhikov, S. T.

2014-06-01

An efficient computational capability for nonequilibrium radiation simulation via the ray tracing technique has been accomplished. The radiative rate equation is iteratively coupled with the aerodynamic conservation laws including nonequilibrium chemical and chemical-physical kinetic models. The spectral properties along tracing rays are determined by a space partition algorithm of the nearest neighbor search process, and the numerical accuracy is further enhanced by a local resolution refinement using the Gauss-Lobatto polynomial. The interdisciplinary governing equations are solved by an implicit delta formulation through the diminishing residual approach. The axisymmetric radiating flow fields over the reentry RAM-CII probe have been simulated and verified with flight data and previous solutions by traditional methods. A computational efficiency gain nearly forty times is realized over that of the existing simulation procedures.

An experimental and theoretical study of reaction mechanisms between nitriles and hydroxylamine.

PubMed

Vörös, Attila; Mucsi, Zoltán; Baán, Zoltán; Timári, Géza; Hermecz, István; Mizsey, Péter; Finta, Zoltán

2014-10-28

The industrially relevant reaction between nitriles and hydroxylamine yielding amidoximes was studied in different molecular solvents and in ionic liquids. In industry, this procedure is carried out on the ton scale in alcohol solutions and the above transformation produces a significant amount of unexpected amide by-product, depending on the nature of the nitrile, which can cause further analytical and purification issues. Although there were earlier attempts to propose mechanisms for this transformation, the real reaction pathway is still under discussion. A new detailed reaction mechanistic explanation, based on theoretical and experimental proof, is given to augment the former mechanisms, which allowed us to find a more efficient, side-product free procedure. Interpreting the theoretical results obtained, it was shown that the application of specific imidazolium, phosphonium and quaternary ammonium based ionic liquids could decrease simultaneously the reaction time while eliminating the amide side-product, leading to the targeted product selectively. This robust and economic procedure now affords a fast, selective amide free synthesis of amidoximes.

Participatory ergonomics and design of technical assistance.

PubMed

Rodríguez, Claudia Isabel Rojas

2012-01-01

This work describes the experience of application of a procedural initiative, which aimed to identify and address technical assistance needs progressively in therapy and rehabilitation activities. The proposal theoretical axes are the basics of participatory ergonomics and interdisciplinary work, was raised with the intention of addressing important issues for the entire design process including: perception, attention, memory and human being comfort, and the interrelationships that create objects in the context in which they are used. This project was done in collaboration with leading institutes for the rehabilitation of Colombia: Cirec and Roosevelt, through two investigative stages: a first ethnographic stage, during which were observed one hundred forty four (144) procedures of rehabilitation and therapy to build a bank of assistive technology needs, justified on the project observation variables. And a second stage of action research in which they were designed elements that facilitate the implementation of rehabilitation procedures efficiently. Currently being developed experiential situations in different hospitals to examine the reliability of the proposed solutions.

"Knife to skin" time is a poor marker of operating room utilization and efficiency in cardiac surgery.

PubMed

Luthra, Suvitesh; Ramady, Omar; Monge, Mary; Fitzsimons, Michael G; Kaleta, Terry R; Sundt, Thoralf M

2015-06-01

Markers of operation room (OR) efficiency in cardiac surgery are focused on "knife to skin" and "start time tardiness." These do not evaluate the middle and later parts of the cardiac surgical pathway. The purpose of this analysis was to evaluate knife to skin time as an efficiency marker in cardiac surgery. We looked at knife to skin time, procedure time, and transfer times in the cardiac operational pathway for their correlation with predefined indices of operational efficiency (Index of Operation Efficiency - InOE, Surgical Index of Operational Efficiency - sInOE). A regression analysis was performed to test the goodness of fit of the regression curves estimated for InOE relative to the times on the operational pathway. The mean knife to skin time was 90.6 ± 13 minutes (23% of total OR time). The mean procedure time was 282 ± 123 minutes (71% of total OR time). Utilization efficiencies were highest for aortic valve replacement and coronary artery bypass grafting and least for complex aortic procedures. There were no significant procedure-specific or team-specific differences for standard procedures. Procedure times correlated the strongest with InOE (r = -0.98, p < 0.01). Compared to procedure times, knife to skin is not as strong an indicator of efficiency. A statistically significant linear dependence on InOE was observed with "procedure times" only. Procedure times are a better marker of OR efficiency than knife to skin in cardiac cases. Strategies to increase OR utilization and efficiency should address procedure times in addition to knife to skin times. © 2015 Wiley Periodicals, Inc.

Recent developments in the Dorfman-Berbaum-Metz procedure for multireader ROC study analysis.

PubMed

Hillis, Stephen L; Berbaum, Kevin S; Metz, Charles E

2008-05-01

The Dorfman-Berbaum-Metz (DBM) method has been one of the most popular methods for analyzing multireader receiver-operating characteristic (ROC) studies since it was proposed in 1992. Despite its popularity, the original procedure has several drawbacks: it is limited to jackknife accuracy estimates, it is substantially conservative, and it is not based on a satisfactory conceptual or theoretical model. Recently, solutions to these problems have been presented in three papers. Our purpose is to summarize and provide an overview of these recent developments. We present and discuss the recently proposed solutions for the various drawbacks of the original DBM method. We compare the solutions in a simulation study and find that they result in improved performance for the DBM procedure. We also compare the solutions using two real data studies and find that the modified DBM procedure that incorporates these solutions yields more significant results and clearer interpretations of the variance component parameters than the original DBM procedure. We recommend using the modified DBM procedure that incorporates the recent developments.

Efficient electromagnetic source imaging with adaptive standardized LORETA/FOCUSS.

PubMed

Schimpf, Paul H; Liu, Hesheng; Ramon, Ceon; Haueisen, Jens

2005-05-01

Functional brain imaging and source localization based on the scalp's potential field require a solution to an ill-posed inverse problem with many solutions. This makes it necessary to incorporate a priori knowledge in order to select a particular solution. A computational challenge for some subject-specific head models is that many inverse algorithms require a comprehensive sampling of the candidate source space at the desired resolution. In this study, we present an algorithm that can accurately reconstruct details of localized source activity from a sparse sampling of the candidate source space. Forward computations are minimized through an adaptive procedure that increases source resolution as the spatial extent is reduced. With this algorithm, we were able to compute inverses using only 6% to 11% of the full resolution lead-field, with a localization accuracy that was not significantly different than an exhaustive search through a fully-sampled source space. The technique is, therefore, applicable for use with anatomically-realistic, subject-specific forward models for applications with spatially concentrated source activity.

The MHOST finite element program: 3-D inelastic analysis methods for hot section components. Volume 1: Theoretical manual

NASA Technical Reports Server (NTRS)

Nakazawa, Shohei

1991-01-01

Formulations and algorithms implemented in the MHOST finite element program are discussed. The code uses a novel concept of the mixed iterative solution technique for the efficient 3-D computations of turbine engine hot section components. The general framework of variational formulation and solution algorithms are discussed which were derived from the mixed three field Hu-Washizu principle. This formulation enables the use of nodal interpolation for coordinates, displacements, strains, and stresses. Algorithmic description of the mixed iterative method includes variations for the quasi static, transient dynamic and buckling analyses. The global-local analysis procedure referred to as the subelement refinement is developed in the framework of the mixed iterative solution, of which the detail is presented. The numerically integrated isoparametric elements implemented in the framework is discussed. Methods to filter certain parts of strain and project the element discontinuous quantities to the nodes are developed for a family of linear elements. Integration algorithms are described for linear and nonlinear equations included in MHOST program.

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

Warner-Schmid, D.; Hoshi, Suwaru; Armstrong, D.W.

Aqueous solutions of nonionic surfactants are known to undergo phase separations at elevated temperatures. This phenomenon is known as clouding,' and the temperature at which it occurs is refereed to as the cloud point. Permethylhydroxypropyl-[beta]-cyclodextrin (PMHP-[beta]-CD) was synthesized and aqueous solutions containing it were found to undergo similar cloud-point behavior. Factors that affect the phase separation of PMHP-[beta]-CD were investigated. Subsequently, the cloud-point extractions of several aromatic compounds (i.e., acetanilide, aniline, 2,2[prime]-dihydroxybiphenyl, N-methylaniline, 2-naphthol, o-nitroaniline, m-nitroaniline, p-nitroaniline, nitrobenzene, o-nitrophenol, m-nitrophenol, p-nitrophenol, 4-phenazophenol, 3-phenylphenol, and 2-phenylbenzimidazole) from dilute aqueous solution were evaluated. Although the extraction efficiency of the compounds varied, mostmore » can be quantitatively extracted if sufficient PMHP-[beta]-CD is used. For those few compounds that are not extracted (e.g., o-nitroacetanilide), the cloud-point procedure may be an effective one-step isolation or purification method. 18 refs., 2 figs., 3 tabs.« less

[Fast optimization of stepwise gradient conditions for ternary mobile phase in reversed-phase high performance liquid chromatography].

PubMed

Shan, Yi-chu; Zhang, Yu-kui; Zhao, Rui-huan

2002-07-01

In high performance liquid chromatography, it is necessary to apply multi-composition gradient elution for the separation of complex samples such as environmental and biological samples. Multivariate stepwise gradient elution is one of the most efficient elution modes, because it combines the high selectivity of multi-composition mobile phase and shorter analysis time of gradient elution. In practical separations, the separation selectivity of samples can be effectively adjusted by using ternary mobile phase. For the optimization of these parameters, the retention equation of samples must be obtained at first. Traditionally, several isocratic experiments are used to get the retention equation of solute. However, it is time consuming especially for the separation of complex samples with a wide range of polarity. A new method for the fast optimization of ternary stepwise gradient elution was proposed based on the migration rule of solute in column. First, the coefficients of retention equation of solute are obtained by running several linear gradient experiments, then the optimal separation conditions are searched according to the hierarchical chromatography response function which acts as the optimization criterion. For each kind of organic modifier, two initial linear gradient experiments are used to obtain the primary coefficients of retention equation of each solute. For ternary mobile phase, only four linear gradient runs are needed to get the coefficients of retention equation. Then the retention times of solutes under arbitrary mobile phase composition can be predicted. The initial optimal mobile phase composition is obtained by resolution mapping for all of the solutes. A hierarchical chromatography response function is used to evaluate the separation efficiencies and search the optimal elution conditions. In subsequent optimization, the migrating distance of solute in the column is considered to decide the mobile phase composition and sustaining time of the latter steps until all the solutes are eluted out. Thus the first stepwise gradient elution conditions are predicted. If the resolution of samples under the predicted optimal separation conditions is satisfactory, the optimization procedure is stopped; otherwise, the coefficients of retention equation are adjusted according to the experimental results under the previously predicted elution conditions. Then the new stepwise gradient elution conditions are predicted repeatedly until satisfactory resolution is obtained. Normally, the satisfactory separation conditions can be found only after six experiments by using the proposed method. In comparison with the traditional optimization method, the time needed to finish the optimization procedure can be greatly reduced. The method has been validated by its application to the separation of several samples such as amino acid derivatives, aromatic amines, in which satisfactory separations were obtained with predicted resolution.

Assessment of microbial contamination of radiographic equipment and materials during intraoral imaging procedures.

PubMed

Pinheiro, S L; Martoni, S C; Ogera, R R

2012-05-01

Aim of the present study was to assess microbial contamination of radiology procedures. Patients who needed radiographic exams were selected and the bisecting technique was used: G1 - (control): absence of plastic barrier and overgloving or disinfectant solutions; G2 - alcohol spraying; G3 - protection of the film with a plastic barrier and alcohol spray; G4 - protection of film with plastic barrier, use of overgloving and alcohol spray. The following regions were assessed: trigger switch, X-ray tube, sleeve of the portable dark chamber, water, developer and fixer. The areas for microbiological sample collection were standardized with a label cut internally so that the hollow area was 5 cm long and 2 cm wide. One mL of the developer, water and fixer were also collected before and after developing the films. The samples were incubated under anaerobiosis and aerobiosis. The results were submitted to the Cochran's Q and Mann-Whitney tests. The sleeve of the developing chamber showed greater anaerobic contamination followed by the X-ray tube and only the use of alcohol associated with mechanical barriers was efficient to control this microbiota. The trigger showed higher aerobic microbial contamination and the use of alcohol or alcohol associated with mechanical barriers was efficient to control this microbiota. The developing solutions presented no significant growth of anaerobic and aerobic bacteria. The characteristic of an aerobic or anaerobic microbial strain influences microbial contamination while radiographic projections are being taken and the use of alcohol associated with a plastic barrier and overgloving is indicated to reduce this microbiota.

Semi-implicit and fully implicit shock-capturing methods for hyperbolic conservation laws with stiff source terms

NASA Technical Reports Server (NTRS)

Yee, H. C.; Shinn, J. L.

1986-01-01

Some numerical aspects of finite-difference algorithms for nonlinear multidimensional hyperbolic conservation laws with stiff nonhomogenous (source) terms are discussed. If the stiffness is entirely dominated by the source term, a semi-implicit shock-capturing method is proposed provided that the Jacobian of the soruce terms possesses certain properties. The proposed semi-implicit method can be viewed as a variant of the Bussing and Murman point-implicit scheme with a more appropriate numerical dissipation for the computation of strong shock waves. However, if the stiffness is not solely dominated by the source terms, a fully implicit method would be a better choice. The situation is complicated by problems that are higher than one dimension, and the presence of stiff source terms further complicates the solution procedures for alternating direction implicit (ADI) methods. Several alternatives are discussed. The primary motivation for constructing these schemes was to address thermally and chemically nonequilibrium flows in the hypersonic regime. Due to the unique structure of the eigenvalues and eigenvectors for fluid flows of this type, the computation can be simplified, thus providing a more efficient solution procedure than one might have anticipated.

Specimen block counter-staining for localization of GUS expression in transgenic arabidopsis and tobacco

NASA Technical Reports Server (NTRS)

Kim, M. K.; Choi, J-W; Jeon, J-H; Franceschi, V. R.; Davin, L. B.; Lewis, N. G.

2002-01-01

A simple counter-staining procedure has been developed for comparative beta-glucuronidase (GUS) expression and anatomical localization in transgenic herbaceous arabidopsis and tobacco. This protocol provides good anatomical visualization for monitoring chimeric gene expression at both the organ and tissue levels. It can be used with different histochemical stains and can be extended to the study of woody species. The specimens are paraffin-embedded, the block is trimmed to reveal internal structure, safranin-O staining solution is briefly applied to the surface of the block, then washed off and, after drying, a drop of immersion oil is placed on the stained surface for subsequent photographic work. This gives tissue counter-staining with good structural preservation without loss of GUS staining product; moreover, sample observation is rapid and efficient compared to existing procedures.

Numerical solutions of the Navier-Stokes equations for transonic afterbody flows

NASA Technical Reports Server (NTRS)

Swanson, R. C., Jr.

1980-01-01

The time dependent Navier-Stokes equations in mass averaged variables are solved for transonic flow over axisymmetric boattail plume simulator configurations. Numerical solution of these equations is accomplished with the unsplit explict finite difference algorithm of MacCormack. A grid subcycling procedure and computer code vectorization are used to improve computational efficiency. The two layer algebraic turbulence models of Cebeci-Smith and Baldwin-Lomax are employed for investigating turbulence closure. Two relaxation models based on these baseline models are also considered. Results in the form of surface pressure distribution for three different circular arc boattails at two free stream Mach numbers are compared with experimental data. The pressures in the recirculating flow region for all separated cases are poorly predicted with the baseline turbulence models. Significant improvements in the predictions are usually obtained by using the relaxation models.

Creative and algorithmic mathematical reasoning: effects of transfer-appropriate processing and effortful struggle

NASA Astrophysics Data System (ADS)

Jonsson, Bert; Kulaksiz, Yagmur C.; Lithner, Johan

2016-11-01

Two separate studies, Jonsson et al. (J. Math Behav. 2014;36: 20-32) and Karlsson Wirebring et al. (Trends Neurosci Educ. 2015;4(1-2):6-14), showed that learning mathematics using creative mathematical reasoning and constructing their own solution methods can be more efficient than if students use algorithmic reasoning and are given the solution procedures. It was argued that effortful struggle was the key that explained this difference. It was also argued that the results could not be explained by the effects of transfer-appropriate processing, although this was not empirically investigated. This study evaluated the hypotheses of transfer-appropriate processing and effortful struggle in relation to the specific characteristics associated with algorithmic reasoning task and creative mathematical reasoning task. In a between-subjects design, upper-secondary students were matched according to their working memory capacity.

Design and simulation of a cable-pulley-based transmission for artificial ankle joints

NASA Astrophysics Data System (ADS)

Liu, Huaxin; Ceccarelli, Marco; Huang, Qiang

2016-06-01

In this paper, a mechanical transmission based on cable pulley is proposed for human-like actuation in the artificial ankle joints of human-scale. The anatomy articular characteristics of the human ankle is discussed for proper biomimetic inspiration in designing an accurate, efficient, and robust motion control of artificial ankle joint devices. The design procedure is presented through the inclusion of conceptual considerations and design details for an interactive solution of the transmission system. A mechanical design is elaborated for the ankle joint angular with pitch motion. A multi-body dynamic simulation model is elaborated accordingly and evaluated numerically in the ADAMS environment. Results of the numerical simulations are discussed to evaluate the dynamic performance of the proposed design solution and to investigate the feasibility of the proposed design in future applications for humanoid robots.

Effect of virtual memory on efficient solution of two model problems

NASA Technical Reports Server (NTRS)

Lambiotte, J. J., Jr.

1977-01-01

Computers with virtual memory architecture allow programs to be written as if they were small enough to be contained in memory. Two types of problems are investigated to show that this luxury can lead to quite an inefficient performance if the programmer does not interact strongly with the characteristics of the operating system when developing the program. The two problems considered are the simultaneous solutions of a large linear system of equations by Gaussian elimination and a model three-dimensional finite-difference problem. The Control Data STAR-100 computer runs are made to demonstrate the inefficiencies of programming the problems in the manner one would naturally do if the problems were indeed, small enough to be contained in memory. Program redesigns are presented which achieve large improvements in performance through changes in the computational procedure and the data base arrangement.

Numerical simulation of transverse fuel injection

NASA Technical Reports Server (NTRS)

Mao, Marlon; Riggins, David W.; Mcclinton, Charles R.

1991-01-01

A review of recent work at NASA Langley Research Center to compare the predictions of transverse fuel injector flow fields and mixing performance with experimental results is presented. Various cold (non-reactive) mixing studies were selected for code calibration which include the effects of boundary layer thickness and injection angle for sonic hydrogen injection into supersonic air. Angled injection of helium is also included. This study was performed using both the three-dimensional elliptic and the parabolized Navier-Stokes (PNS) versions of SPARK. Axial solution planes were passed from PNS to elliptic and elliptic to PNS in order to efficiently generate solutions. The PNS version is used both upstream and far downstream of the injector where the flow can be considered parabolic in nature. The comparisons are used to identify experimental deficiencies and computational procedures to improve agreement.

Bidirectional Reflectance of Flat, Optically Thick Particulate Layers: An Efficient Radiative Transfer Solution and Applications to Snow and Soil Surfaces

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Dlugach, Janna M.; Yanovitsku, Edgard G.; Zakharova, Nadia T.

1999-01-01

We describe a simple and highly efficient and accurate radiative transfer technique for computing bidirectional reflectance of a macroscopically flat scattering layer composed of nonabsorbing or weakly absorbing, arbitrarily shaped, randomly oriented and randomly distributed particles. The layer is assumed to be homogeneous and optically semi-infinite, and the bidirectional reflection function (BRF) is found by a simple iterative solution of the Ambartsumian's nonlinear integral equation. As an exact Solution of the radiative transfer equation, the reflection function thus obtained fully obeys the fundamental physical laws of energy conservation and reciprocity. Since this technique bypasses the computation of the internal radiation field, it is by far the fastest numerical approach available and can be used as an ideal input for Monte Carlo procedures calculating BRFs of scattering layers with macroscopically rough surfaces. Although the effects of packing density and coherent backscattering are currently neglected, they can also be incorporated. The FORTRAN implementation of the technique is available on the World Wide Web at http://ww,,v.giss.nasa.gov/-crmim/brf.html and can be applied to a wide range of remote sensing, engineering, and biophysical problems. We also examine the potential effect of ice crystal shape on the bidirectional reflectance of flat snow surfaces and the applicability of the Henyey-Greenstein phase function and the 6-Eddington approximation in calculations for soil surfaces.

Neutral glycoconjugated amide-based calix[4]arenes: complexation of alkali metal cations in water.

PubMed

Cindro, Nikola; Požar, Josip; Barišić, Dajana; Bregović, Nikola; Pičuljan, Katarina; Tomaš, Renato; Frkanec, Leo; Tomišić, Vladislav

2018-02-07

Cation complexation in water presents a unique challenge in calixarene chemistry, mostly due to the fact that a vast majority of calixarene-based cation receptors is not soluble in water or their solubility has been achieved by introducing functionalities capable of (de)protonation. Such an approach inevitably involves the presence of counterions which compete with target cations for the calixarene binding site, and also rather often requires the use of ion-containing buffer solutions in order to control the pH. Herein we devised a new strategy towards the solution of this problem, based on introducing carbohydrate units at the lower or upper rim of calix[4]arenes which comprise efficient cation binding sites. In this context, we prepared neutral, water-soluble receptors with secondary or tertiary amide coordinating groups, and studied their complexation with alkali metal cations in aqueous and methanol (for the comparison purpose) solutions. Complexation thermodynamics was quantitatively characterized by UV spectrometry and isothermal titration calorimetry, revealing that one of the prepared tertiary amide derivatives is capable of remarkably efficient (log K ≈ 5) and selective binding of sodium cations among alkali metal cations in water. Given the ease of the synthetic procedure used, and thus the variety of accessible analogues, this study can serve as a platform for the development of reagents for diverse purposes in aqueous media.

Response of CR-39 to 0.9-2.5 MeV protons for KOH and NaOH etching solutions

NASA Astrophysics Data System (ADS)

Bahrami, F.; Mianji, F.; Faghihi, R.; Taheri, M.; Ansarinejad, A.

2016-03-01

In some circumstances passive detecting methods are the only or preferable measuring approaches. For instance, defining particles' energy profile inside the objects being irradiated with heavy ions and measuring fluence of neutrons or heavy particles in space missions are the cases covered by these methods. In this paper the ability of polyallyl diglycol carbonate (PADC) track detector (commercially known as CR-39) for passive spectrometry of proton particles is studied. Furthermore, the effect of KOH and NaOH as commonly used chemical etching solutions on the response of the detector is investigated. The experiments were carried out with protons in the energy range of 0.94-2.5 MeV generated by a Van de Graaff accelerator. Then, the exposed track dosimeters were etched in the two aforementioned etchants through similar procedure with the same normality of 6.25 N and the same temperature of 85 °C. Formation of the tracks was precisely investigated and the track diameters were recorded following every etching step for each solution using a multistage etching process. The results showed that the proposed method can be efficiently used for the spectrometry of protons over a wider dynamic range and with a reasonable accuracy. Moreover, NaOH and KOH outperformed each other over different regions of the proton energy range. The detection efficiency of both etchants was approximately 100%.

10 CFR 431.444 - Test procedures for the measurement of energy efficiency.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 3 2011-01-01 2011-01-01 false Test procedures for the measurement of energy efficiency. 431.444 Section 431.444 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR... procedures for the measurement of energy efficiency. (a) Scope. Pursuant to section 346(b)(1) of EPCA, this...

10 CFR 431.444 - Test procedures for the measurement of energy efficiency.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 3 2010-01-01 2010-01-01 false Test procedures for the measurement of energy efficiency. 431.444 Section 431.444 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR... procedures for the measurement of energy efficiency. (a) Scope. Pursuant to section 346(b)(1) of EPCA, this...

EFQPSK Versus CERN: A Comparative Study

NASA Technical Reports Server (NTRS)

Borah, Deva K.; Horan, Stephen

2001-01-01

This report presents a comparative study on Enhanced Feher's Quadrature Phase Shift Keying (EFQPSK) and Constrained Envelope Root Nyquist (CERN) techniques. These two techniques have been developed in recent times to provide high spectral and power efficiencies under nonlinear amplifier environment. The purpose of this study is to gain insights into these techniques and to help system planners and designers with an appropriate set of guidelines for using these techniques. The comparative study presented in this report relies on effective simulation models and procedures. Therefore, a significant part of this report is devoted to understanding the mathematical and simulation models of the techniques and their set-up procedures. In particular, mathematical models of EFQPSK and CERN, effects of the sampling rate in discrete time signal representation, and modeling of nonlinear amplifiers and predistorters have been considered in detail. The results of this study show that both EFQPSK and CERN signals provide spectrally efficient communications compared to filtered conventional linear modulation techniques when a nonlinear power amplifier is used. However, there are important differences. The spectral efficiency of CERN signals, with a small amount of input backoff, is significantly better than that of EFQPSK signals if the nonlinear amplifier is an ideal clipper. However, to achieve such spectral efficiencies with a practical nonlinear amplifier, CERN processing requires a predistorter which effectively translates the amplifier's characteristics close to those of an ideal clipper. Thus, the spectral performance of CERN signals strongly depends on the predistorter. EFQPSK signals, on the other hand, do not need such predistorters since their spectra are almost unaffected by the nonlinear amplifier, Ibis report discusses several receiver structures for EFQPSK signals. It is observed that optimal receiver structures can be realized for both coded and uncoded EFQPSK signals with not too much increase in computational complexity. When a nonlinear amplifier is used, the bit error rate (BER) performance of the CERN signals with a matched filter receiver is found to be more than one decibel (dB) worse compared to the bit error performance of EFQPSK signals. Although channel coding is found to provide BER performance improvement for both EFQPSK and CERN signals, the performance of EFQPSK signals remains better than that of CERN. Optimal receiver structures for CERN signals with nonlinear equalization is left as a possible future work. Based on the numerical results, it is concluded that, in nonlinear channels, CERN processing leads towards better bandwidth efficiency with a compromise in power efficiency. Hence for bandwidth efficient communications needs, CERN is a good solution provided effective adaptive predistorters can be realized. On the other hand, EFQPSK signals provide a good power efficient solution with a compromise in band width efficiency.

Evaluation of commercial skin prick test solutions for selected occupational allergens.

PubMed

van Kampen, V; de Blay, F; Folletti, I; Kobierski, P; Moscato, G; Olivieri, M; Quirce, S; Sastre, J; Walusiak-Skorupa, J; Kotschy-Lang, N; Müsken, H; Mahler, V; Schliemann, S; Ochmann, U; Sültz, J; Worm, M; Sander, I; Zahradnik, E; Brüning, T; Merget, R; Raulf-Heimsoth, M

2013-01-01

Skin prick testing (SPT) is an important step in the diagnosis of IgE-mediated occupational allergic diseases. The outcome of SPT is related to the quality of allergen extracts. Thus, the aim of the study was to assess different commercially available SPT solutions for selected occupational allergens. SPT was performed in 116 bakers, 47 farmers and 33 subjects exposed to natural rubber latex (NRL), all with work-related allergic symptoms. The SPT solutions from different manufacturers (n = 3-5) for wheat flour, rye flour, soy, cow hair/dander, storage mites (Tyrophagus putrescentiae, Lepidoglyphus destructor, Acarus siro) and NRL were analysed with respect to their protein and antigen contents. SPT was carried out in 16 allergy centres in six European countries using standardized procedures. Specific IgE values were used as the gold standard to calculate the sensitivity and specificity of SPT solutions. The optimal cut-point for each SPT solution was determined by Youden Index. Protein and antigen contents and patterns of the SPT solutions varied remarkably depending on the manufacturer. While SPT solutions for wheat flour and soy reached overall low sensitivities, sensitivities of other tested SPT solutions depended on the manufacturer. As a rule, solutions with higher protein and antigen content showed higher sensitivities and test efficiencies. There is a wide variability of SPT solutions for occupational allergens, and the sensitivity of several solutions is low. Thus, improvement and standardization of SPT solutions for occupational allergens is essential. © 2013 John Wiley & Sons A/S. Published by Blackwell Publishing Ltd.

Examination of efficacious, efficient, and socially valid error-correction procedures to teach sight words and prepositions to children with autism spectrum disorder.

PubMed

Kodak, Tiffany; Campbell, Vincent; Bergmann, Samantha; LeBlanc, Brittany; Kurtz-Nelson, Eva; Cariveau, Tom; Haq, Shaji; Zemantic, Patricia; Mahon, Jacob

2016-09-01

Prior research shows that learners have idiosyncratic responses to error-correction procedures during instruction. Thus, assessments that identify error-correction strategies to include in instruction can aid practitioners in selecting individualized, efficacious, and efficient interventions. The current investigation conducted an assessment to compare 5 error-correction procedures that have been evaluated in the extant literature and are common in instructional practice for children with autism spectrum disorder (ASD). Results showed that the assessment identified efficacious and efficient error-correction procedures for all participants, and 1 procedure was efficient for 4 of the 5 participants. To examine the social validity of error-correction procedures, participants selected among efficacious and efficient interventions in a concurrent-chains assessment. We discuss the results in relation to prior research on error-correction procedures and current instructional practices for learners with ASD. © 2016 Society for the Experimental Analysis of Behavior.

On the Solution of the Three-Dimensional Flowfield About a Flow-Through Nacelle. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Compton, William Bernard

1985-01-01

The solution of the three dimensional flow field for a flow through nacelle was studied. Both inviscid and viscous inviscid interacting solutions were examined. Inviscid solutions were obtained with two different computational procedures for solving the three dimensional Euler equations. The first procedure employs an alternating direction implicit numerical algorithm, and required the development of a complete computational model for the nacelle problem. The second computational technique employs a fourth order Runge-Kutta numerical algorithm which was modified to fit the nacelle problem. Viscous effects on the flow field were evaluated with a viscous inviscid interacting computational model. This model was constructed by coupling the explicit Euler solution procedure with a flag entrainment boundary layer solution procedure in a global iteration scheme. The computational techniques were used to compute the flow field for a long duct turbofan engine nacelle at free stream Mach numbers of 0.80 and 0.94 and angles of attack of 0 and 4 deg.

Efficient checkpointing schemes for depletion perturbation solutions on memory-limited architectures

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

Stripling, H. F.; Adams, M. L.; Hawkins, W. D.

2013-07-01

We describe a methodology for decreasing the memory footprint and machine I/O load associated with the need to access a forward solution during an adjoint solve. Specifically, we are interested in the depletion perturbation equations, where terms in the adjoint Bateman and transport equations depend on the forward flux solution. Checkpointing is the procedure of storing snapshots of the forward solution to disk and using these snapshots to recompute the parts of the forward solution that are necessary for the adjoint solve. For large problems, however, the storage cost of just a few copies of an angular flux vector canmore » exceed the available RAM on the host machine. We propose a methodology that does not checkpoint the angular flux vector; instead, we write and store converged source moments, which are typically of a much lower dimension than the angular flux solution. This reduces the memory footprint and I/O load of the problem, but requires that we perform single sweeps to reconstruct flux vectors on demand. We argue that this trade-off is exactly the kind of algorithm that will scale on advanced, memory-limited architectures. We analyze the cost, in terms of FLOPS and memory footprint, of five checkpointing schemes. We also provide computational results that support the analysis and show that the memory-for-work trade off does improve time to solution. (authors)« less

Predictors of surgeons' efficiency in the operating rooms.

PubMed

Nakata, Yoshinori; Watanabe, Yuichi; Narimatsu, Hiroto; Yoshimura, Tatsuya; Otake, Hiroshi; Sawa, Tomohiro

2017-02-01

The sustainability of the Japanese healthcare system is questionable because of a huge fiscal debt. One of the solutions is to improve the efficiency of healthcare. The purpose of this study is to determine what factors are predictive of surgeons' efficiency scores. The authors collected data from all the surgical procedures performed at Teikyo University Hospital from April 1 through September 30 in 2013-2015. Output-oriented Charnes-Cooper-Rhodes model of data envelopment analysis was employed to calculate each surgeon's efficiency score. Seven independent variables that may predict their efficiency scores were selected: experience, medical school, surgical volume, gender, academic rank, surgical specialty, and the surgical fee schedule. Multiple regression analysis using random-effects Tobit model was used for our panel data. The data from total 8722 surgical cases were obtained in 18-month study period. The authors analyzed 134 surgeons. The only statistically significant coefficients were surgical specialty and surgical fee schedule (p = 0.000 and p = 0.016, respectively). Experience had some positive association with efficiency scores but did not reach statistical significance (p = 0.062). The other coefficients were not statistically significant. These results demonstrated that the surgical reimbursement system, not surgeons' personal characteristics, is a significant predictor of surgeons' efficiency.

Linear-time reconstruction of zero-recombinant Mendelian inheritance on pedigrees without mating loops.

PubMed

Liu, Lan; Jiang, Tao

2007-01-01

With the launch of the international HapMap project, the haplotype inference problem has attracted a great deal of attention in the computational biology community recently. In this paper, we study the question of how to efficiently infer haplotypes from genotypes of individuals related by a pedigree without mating loops, assuming that the hereditary process was free of mutations (i.e. the Mendelian law of inheritance) and recombinants. We model the haplotype inference problem as a system of linear equations as in [10] and present an (optimal) linear-time (i.e. O(mn) time) algorithm to generate a particular solution (A particular solution of any linear system is an assignment of numerical values to the variables in the system which satisfies the equations in the system.) to the haplotype inference problem, where m is the number of loci (or markers) in a genotype and n is the number of individuals in the pedigree. Moreover, the algorithm also provides a general solution (A general solution of any linear system is denoted by the span of a basis in the solution space to its associated homogeneous system, offset from the origin by a vector, namely by any particular solution. A general solution for ZRHC is very useful in practice because it allows the end user to efficiently enumerate all solutions for ZRHC and performs tasks such as random sampling.) in O(mn2) time, which is optimal because the size of a general solution could be as large as Theta(mn2). The key ingredients of our construction are (i) a fast consistency checking procedure for the system of linear equations introduced in [10] based on a careful investigation of the relationship between the equations (ii) a novel linear-time method for solving linear equations without invoking the Gaussian elimination method. Although such a fast method for solving equations is not known for general systems of linear equations, we take advantage of the underlying loop-free pedigree graph and some special properties of the linear equations.

Computation of Reacting Flows in Combustion Processes

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Chen, Kuo-Huey

1997-01-01

The main objective of this research was to develop an efficient three-dimensional computer code for chemically reacting flows. The main computer code developed is ALLSPD-3D. The ALLSPD-3D computer program is developed for the calculation of three-dimensional, chemically reacting flows with sprays. The ALL-SPD code employs a coupled, strongly implicit solution procedure for turbulent spray combustion flows. A stochastic droplet model and an efficient method for treatment of the spray source terms in the gas-phase equations are used to calculate the evaporating liquid sprays. The chemistry treatment in the code is general enough that an arbitrary number of reaction and species can be defined by the users. Also, it is written in generalized curvilinear coordinates with both multi-block and flexible internal blockage capabilities to handle complex geometries. In addition, for general industrial combustion applications, the code provides both dilution and transpiration cooling capabilities. The ALLSPD algorithm, which employs the preconditioning and eigenvalue rescaling techniques, is capable of providing efficient solution for flows with a wide range of Mach numbers. Although written for three-dimensional flows in general, the code can be used for two-dimensional and axisymmetric flow computations as well. The code is written in such a way that it can be run in various computer platforms (supercomputers, workstations and parallel processors) and the GUI (Graphical User Interface) should provide a user-friendly tool in setting up and running the code.

Use of natural clays as sorbent materials for rare earth ions: Materials characterization and set up of the operative parameters.

PubMed

Iannicelli-Zubiani, Elena Maria; Cristiani, Cinzia; Dotelli, Giovanni; Gallo Stampino, Paola; Pelosato, Renato; Mesto, Ernesto; Schingaro, Emanuela; Lacalamita, Maria

2015-12-01

Two mineral clays of the montmorillonite group were tested as sorbents for the removal of Rare Earths (REs) from liquid solutions. Lanthanum and neodymium model solutions were used to perform uptake tests in order to: (a) verify the clays sorption capability, (b) investigate the sorption mechanisms and (c) optimize the experimental parameters, such as contact time and pH. The desorption was also studied, in order to evaluate the feasibility of REs recovery from waters. The adsorption-desorption procedure with the optimized parameters was also tested on a leaching solution obtained by dissolution of a dismantled NdFeB magnet of a hard-disk. The clays were fully characterized after REs adsorption and desorption by means of X-ray powder diffraction (XRPD) and X-ray photoelectron spectroscopy (XPS); the liquid phase was characterized via Inductively Coupled Plasma-Optical Emission Spectroscopy (ICP-OES) analyses. The experimental results show that both clays are able to capture and release La and Nd ions, with an ion exchange mechanism. The best total efficiency (capture ≈ 50%, release ≈ 70%) is obtained when the uptake and release processes are performed at pH=5 and pH=1 respectively; in real leached scrap solutions, the uptake is around 40% but release efficiency is strongly decreased passing from a mono-ion system to a real system (from 80% to 5%). Furthermore, a strong matrix effect is found, with the matrix largely affecting both the uptake and the release of neodymium. Copyright © 2015 Elsevier Ltd. All rights reserved.

Improvement of analytical dynamic models using modal test data

NASA Technical Reports Server (NTRS)

Berman, A.; Wei, F. S.; Rao, K. V.

1980-01-01

A method developed to determine maximum changes in analytical mass and stiffness matrices to make them consistent with a set of measured normal modes and natural frequencies is presented. The corrected model will be an improved base for studies of physical changes, boundary condition changes, and for prediction of forced responses. The method features efficient procedures not requiring solutions of the eigenvalue problem, and the ability to have more degrees of freedom than the test data. In addition, modal displacements are obtained for all analytical degrees of freedom, and the frequency dependence of the coordinate transformations is properly treated.

Bistatic passive radar simulator with spatial filtering subsystem

NASA Astrophysics Data System (ADS)

Hossa, Robert; Szlachetko, Boguslaw; Lewandowski, Andrzej; Górski, Maksymilian

2009-06-01

The purpose of this paper is to briefly introduce the structure and features of the developed virtual passive FM radar implemented in Matlab system of numerical computations and to present many alternative ways of its performance. An idea of the proposed solution is based on analytic representation of transmitted direct signals and reflected echo signals. As a spatial filtering subsystem a beamforming network of ULA and UCA dipole configuration dedicated to bistatic radar concept is considered and computationally efficient procedures are presented in details. Finally, exemplary results of the computer simulations of the elaborated virtual simulator are provided and discussed.

Control of discrete event systems modeled as hierarchical state machines

NASA Technical Reports Server (NTRS)

Brave, Y.; Heymann, M.

1991-01-01

The authors examine a class of discrete event systems (DESs) modeled as asynchronous hierarchical state machines (AHSMs). For this class of DESs, they provide an efficient method for testing reachability, which is an essential step in many control synthesis procedures. This method utilizes the asynchronous nature and hierarchical structure of AHSMs, thereby illustrating the advantage of the AHSM representation as compared with its equivalent (flat) state machine representation. An application of the method is presented where an online minimally restrictive solution is proposed for the problem of maintaining a controlled AHSM within prescribed legal bounds.

Time-dependent grid adaptation for meshes of triangles and tetrahedra

NASA Technical Reports Server (NTRS)

Rausch, Russ D.

1993-01-01

This paper presents in viewgraph form a method of optimizing grid generation for unsteady CFD flow calculations that distributes the numerical error evenly throughout the mesh. Adaptive meshing is used to locally enrich in regions of relatively large errors and to locally coarsen in regions of relatively small errors. The enrichment/coarsening procedures are robust for isotropic cells; however, enrichment of high aspect ratio cells may fail near boundary surfaces with relatively large curvature. The enrichment indicator worked well for the cases shown, but in general requires user supervision for a more efficient solution.

Upwind relaxation methods for the Navier-Stokes equations using inner iterations

NASA Technical Reports Server (NTRS)

Taylor, Arthur C., III; Ng, Wing-Fai; Walters, Robert W.

1992-01-01

A subsonic and a supersonic problem are respectively treated by an upwind line-relaxation algorithm for the Navier-Stokes equations using inner iterations to accelerate steady-state solution convergence and thereby minimize CPU time. While the ability of the inner iterative procedure to mimic the quadratic convergence of the direct solver method is attested to in both test problems, some of the nonquadratic inner iterative results are noted to have been more efficient than the quadratic. In the more successful, supersonic test case, inner iteration required only about 65 percent of the line-relaxation method-entailed CPU time.

An interval model updating strategy using interval response surface models

NASA Astrophysics Data System (ADS)

Fang, Sheng-En; Zhang, Qiu-Hu; Ren, Wei-Xin

2015-08-01

Stochastic model updating provides an effective way of handling uncertainties existing in real-world structures. In general, probabilistic theories, fuzzy mathematics or interval analyses are involved in the solution of inverse problems. However in practice, probability distributions or membership functions of structural parameters are often unavailable due to insufficient information of a structure. At this moment an interval model updating procedure shows its superiority in the aspect of problem simplification since only the upper and lower bounds of parameters and responses are sought. To this end, this study develops a new concept of interval response surface models for the purpose of efficiently implementing the interval model updating procedure. The frequent interval overestimation due to the use of interval arithmetic can be maximally avoided leading to accurate estimation of parameter intervals. Meanwhile, the establishment of an interval inverse problem is highly simplified, accompanied by a saving of computational costs. By this means a relatively simple and cost-efficient interval updating process can be achieved. Lastly, the feasibility and reliability of the developed method have been verified against a numerical mass-spring system and also against a set of experimentally tested steel plates.

Experimental characterization of Fresnel-Köhler concentrators

NASA Astrophysics Data System (ADS)

Zamora, Pablo; Benítez, Pablo; Mohedano, Rubén; Cvetković, Aleksandra; Vilaplana, Juan; Li, Yang; Hernández, Maikel; Chaves, Julio; Miñano, Juan C.

2012-01-01

Most cost-effective concentrated photovoltaics (CPV) systems are based on an optical train comprising two stages, the first being a Fresnel lens. Among them, the Fresnel-Köhler (FK) concentrator stands out owing to both performance and practical reasons. We describe the experimental measurements procedure for FK concentrator modules. This procedure includes three main types of measurements: electrical efficiency, acceptance angle, and irradiance uniformity at the solar cell plane. We have collected here the performance features of two different FK prototypes (ranging different f-numbers, concentration ratios, and cell sizes). The electrical efficiencies measured in both prototypes are high and fit well with the models, achieving values up to 32.7% (temperature corrected, and with no antireflective coating on SOE or POE surfaces) in the best case. The measured angular transmission curves show large acceptance angles, again perfectly matching the expected values [measured concentration acceptance product (CAP) values over 0.56]. The irradiance pattern on the cell (obtained with a digital camera) shows an almost perfectly uniform distribution, as predicted by raytrace simulations. All these excellent on-sun results confirm the FK concentrator as a potentially cost-effective solution for the CPV market.

Aerodynamic design optimization using sensitivity analysis and computational fluid dynamics

NASA Technical Reports Server (NTRS)

Baysal, Oktay; Eleshaky, Mohamed E.

1991-01-01

A new and efficient method is presented for aerodynamic design optimization, which is based on a computational fluid dynamics (CFD)-sensitivity analysis algorithm. The method is applied to design a scramjet-afterbody configuration for an optimized axial thrust. The Euler equations are solved for the inviscid analysis of the flow, which in turn provides the objective function and the constraints. The CFD analysis is then coupled with the optimization procedure that uses a constrained minimization method. The sensitivity coefficients, i.e. gradients of the objective function and the constraints, needed for the optimization are obtained using a quasi-analytical method rather than the traditional brute force method of finite difference approximations. During the one-dimensional search of the optimization procedure, an approximate flow analysis (predicted flow) based on a first-order Taylor series expansion is used to reduce the computational cost. Finally, the sensitivity of the optimum objective function to various design parameters, which are kept constant during the optimization, is computed to predict new optimum solutions. The flow analysis of the demonstrative example are compared with the experimental data. It is shown that the method is more efficient than the traditional methods.

Efficient extraction and preparative separation of four main isoflavonoids from Dalbergia odorifera T. Chen leaves by deep eutectic solvents-based negative pressure cavitation extraction followed by macroporous resin column chromatography.

PubMed

Li, Lu; Liu, Ju-Zhao; Luo, Meng; Wang, Wei; Huang, Yu-Yan; Efferth, Thomas; Wang, Hui-Mei; Fu, Yu-Jie

2016-10-15

In this study, green and efficient deep eutectic solvent-based negative pressure cavitation-assisted extraction (DES-NPCE) followed by macroporous resin column chromatography was developed to extract and separate four main isoflavonoids, i.e. prunetin, tectorigenin, genistein and biochanin A from Dalbergia odorifera T. Chen leaves. The extraction procedure was optimized systematically by single-factor experiments and a Box-Behnken experimental design combined with response surface methodology. The maximum extraction yields of prunetin, tectorigenin, genistein and biochanin A reached 1.204, 1.057, 0.911 and 2.448mg/g dry weight, respectively. Moreover, the direct enrichment and separation of four isoflavonoids in DES extraction solution was successfully achieved by macroporous resin AB-8 with recovery yields of more than 80%. The present study provides a convenient and efficient method for the green extraction and preparative separation of active compounds from plants. Copyright © 2016 Elsevier B.V. All rights reserved.

Computational strategies for three-dimensional flow simulations on distributed computer systems. Ph.D. Thesis Semiannual Status Report, 15 Aug. 1993 - 15 Feb. 1994

NASA Technical Reports Server (NTRS)

Weed, Richard Allen; Sankar, L. N.

1994-01-01

An increasing amount of research activity in computational fluid dynamics has been devoted to the development of efficient algorithms for parallel computing systems. The increasing performance to price ratio of engineering workstations has led to research to development procedures for implementing a parallel computing system composed of distributed workstations. This thesis proposal outlines an ongoing research program to develop efficient strategies for performing three-dimensional flow analysis on distributed computing systems. The PVM parallel programming interface was used to modify an existing three-dimensional flow solver, the TEAM code developed by Lockheed for the Air Force, to function as a parallel flow solver on clusters of workstations. Steady flow solutions were generated for three different wing and body geometries to validate the code and evaluate code performance. The proposed research will extend the parallel code development to determine the most efficient strategies for unsteady flow simulations.

Projected role of advanced computational aerodynamic methods at the Lockheed-Georgia company

NASA Technical Reports Server (NTRS)

Lores, M. E.

1978-01-01

Experience with advanced computational methods being used at the Lockheed-Georgia Company to aid in the evaluation and design of new and modified aircraft indicates that large and specialized computers will be needed to make advanced three-dimensional viscous aerodynamic computations practical. The Numerical Aerodynamic Simulation Facility should be used to provide a tool for designing better aerospace vehicles while at the same time reducing development costs by performing computations using Navier-Stokes equations solution algorithms and permitting less sophisticated but nevertheless complex calculations to be made efficiently. Configuration definition procedures and data output formats can probably best be defined in cooperation with industry, therefore, the computer should handle many remote terminals efficiently. The capability of transferring data to and from other computers needs to be provided. Because of the significant amount of input and output associated with 3-D viscous flow calculations and because of the exceedingly fast computation speed envisioned for the computer, special attention should be paid to providing rapid, diversified, and efficient input and output.

Coupled Neutron Transport for HZETRN

NASA Technical Reports Server (NTRS)

Slaba, Tony C.; Blattnig, Steve R.

2009-01-01

Exposure estimates inside space vehicles, surface habitats, and high altitude aircrafts exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETC-HEDS, FLUKA, and MCNPX, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light particle transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

Energy efficiency technologies in cement and steel industry

NASA Astrophysics Data System (ADS)

Zanoli, Silvia Maria; Cocchioni, Francesco; Pepe, Crescenzo

2018-02-01

In this paper, Advanced Process Control strategies aimed at energy efficiency achievement and improvement in cement and steel industry are proposed. A flexible and smart control structure constituted by several functional modules and blocks has been developed. The designed control strategy is based on Model Predictive Control techniques, formulated on linear models. Two industrial control solutions have been developed, oriented to energy efficiency and process control improvement in cement industry clinker rotary kilns (clinker production phase) and in steel industry billets reheating furnaces. Tailored customization procedures for the design of ad hoc control systems have been executed, based on the specific needs and specifications of the analysed processes. The installation of the developed controllers on cement and steel plants produced significant benefits in terms of process control which resulted in working closer to the imposed operating limits. With respect to the previous control systems, based on local controllers and/or operators manual conduction, more profitable configurations of the crucial process variables have been provided.

Implementation of Preconditioned Dual-Time Procedures in OVERFLOW

NASA Technical Reports Server (NTRS)

Pandya, Shishir A.; Venkateswaran, Sankaran; Pulliam, Thomas H.; Kwak, Dochan (Technical Monitor)

2003-01-01

Preconditioning methods have become the method of choice for the solution of flowfields involving the simultaneous presence of low Mach and transonic regions. It is well known that these methods are important for insuring accurate numerical discretization as well as convergence efficiency over various operating conditions such as low Mach number, low Reynolds number and high Strouhal numbers. For unsteady problems, the preconditioning is introduced within a dual-time framework wherein the physical time-derivatives are used to march the unsteady equations and the preconditioned time-derivatives are used for purposes of numerical discretization and iterative solution. In this paper, we describe the implementation of the preconditioned dual-time methodology in the OVERFLOW code. To demonstrate the performance of the method, we employ both simple and practical unsteady flowfields, including vortex propagation in a low Mach number flow, flowfield of an impulsively started plate (Stokes' first problem) arid a cylindrical jet in a low Mach number crossflow with ground effect. All the results demonstrate that the preconditioning algorithm is responsible for improvements to both numerical accuracy and convergence efficiency and, thereby, enables low Mach number unsteady computations to be performed at a fraction of the cost of traditional time-marching methods.

Large scale validation of an efficient CRISPR/Cas-based multi gene editing protocol in Escherichia coli.

PubMed

Zerbini, Francesca; Zanella, Ilaria; Fraccascia, Davide; König, Enrico; Irene, Carmela; Frattini, Luca F; Tomasi, Michele; Fantappiè, Laura; Ganfini, Luisa; Caproni, Elena; Parri, Matteo; Grandi, Alberto; Grandi, Guido

2017-04-24

The exploitation of the CRISPR/Cas9 machinery coupled to lambda (λ) recombinase-mediated homologous recombination (recombineering) is becoming the method of choice for genome editing in E. coli. First proposed by Jiang and co-workers, the strategy has been subsequently fine-tuned by several authors who demonstrated, by using few selected loci, that the efficiency of mutagenesis (number of mutant colonies over total number of colonies analyzed) can be extremely high (up to 100%). However, from published data it is difficult to appreciate the robustness of the technology, defined as the number of successfully mutated loci over the total number of targeted loci. This information is particularly relevant in high-throughput genome editing, where repetition of experiments to rescue missing mutants would be impractical. This work describes a "brute force" validation activity, which culminated in the definition of a robust, simple and rapid protocol for single or multiple gene deletions. We first set up our own version of the CRISPR/Cas9 protocol and then we evaluated the mutagenesis efficiency by changing different parameters including sequence of guide RNAs, length and concentration of donor DNAs, and use of single stranded and double stranded donor DNAs. We then validated the optimized conditions targeting 78 "dispensable" genes. This work led to the definition of a protocol, featuring the use of double stranded synthetic donor DNAs, which guarantees mutagenesis efficiencies consistently higher than 10% and a robustness of 100%. The procedure can be applied also for simultaneous gene deletions. This work defines for the first time the robustness of a CRISPR/Cas9-based protocol based on a large sample size. Since the technical solutions here proposed can be applied to other similar procedures, the data could be of general interest for the scientific community working on bacterial genome editing and, in particular, for those involved in synthetic biology projects requiring high throughput procedures.

A safe, effective, and facility compatible cleaning in place procedure for affinity resin in large-scale monoclonal antibody purification.

PubMed

Wang, Lu; Dembecki, Jill; Jaffe, Neil E; O'Mara, Brian W; Cai, Hui; Sparks, Colleen N; Zhang, Jian; Laino, Sarah G; Russell, Reb J; Wang, Michelle

2013-09-20

Cleaning-in-place (CIP) for column chromatography plays an important role in therapeutic protein production. A robust and efficient CIP procedure ensures product quality, improves column life time and reduces the cost of the purification processes, particularly for those using expensive affinity resins, such as MabSelect protein A resin. Cleaning efficiency, resin compatibility, and facility compatibility are the three major aspects to consider in CIP process design. Cleaning MabSelect resin with 50mM sodium hydroxide (NaOH) along with 1M sodium chloride is one of the most popular cleaning procedures used in biopharmaceutical industries. However, high concentration sodium chloride is a leading cause of corrosion in the stainless steel containers used in large scale manufacture. Corroded containers may potentially introduce metal contaminants into purified drug products. Therefore, it is challenging to apply this cleaning procedure into commercial manufacturing due to facility compatibility and drug safety concerns. This paper reports a safe, effective and environmental and facility-friendly cleaning procedure that is suitable for large scale affinity chromatography. An alternative salt (sodium sulfate) is used to prevent the stainless steel corrosion caused by sodium chloride. Sodium hydroxide and salt concentrations were optimized using a high throughput screening approach to achieve the best combination of facility compatibility, cleaning efficiency and resin stability. Additionally, benzyl alcohol is applied to achieve more effective microbial control. Based on the findings, the recommended optimum cleaning strategy is cleaning MabSelect resin with 25 mM NaOH, 0.25 M Na2SO4 and 1% benzyl alcohol solution every cycle, followed by a more stringent cleaning using 50 mM NaOH with 0.25 M Na2SO4 and 1% benzyl alcohol at the end of each manufacturing campaign. A resin life cycle study using the MabSelect affinity resin demonstrates that the new cleaning strategy prolongs resin life time and consistently delivers high purity drug products. Copyright © 2013 Elsevier B.V. All rights reserved.

Release of Rhizobium spp. from Tropical Soils and Recovery for Immunofluorescence Enumeration

PubMed Central

Kingsley, Mark T.; Bohlool, B. Ben

1981-01-01

Limitations associated with immunofluorescence enumeration of bacteria in soil derive largely from the efficiency with which cells can be separated from soil particles and collected on membrane filters for staining. Many tropical soils fix added bacteria tightly, resulting in low recoveries. Eight soils, representative of three of the major soil orders found in the tropics (oxisols, vertisols, and inceptisols), were tested for recovery of added Rhizobium strains. All except one Hawaiian andept (Typic Eutrandept) yielded recoveries ranging from <1 to 13%. Recovery from the andept was 100%. In soil-sand mixtures, addition of only a small amount of soil caused a dramatic decrease in recovery of added rhizobia. Increasing the soil content of the mixture from 0% (10 g of sand) to 50% (5 g of soil-5 g of sand) reduced recoveries from >90 to <1%. Varying the ionic strength and pH of the extracting solution did not cause marked increases in recovery. Protein solutions, ethylenediaminetetraacetate, and NaHCO3, on the other hand, improved release of bacteria. We report a modification to the usual membrane filter immunofluorescence procedure which yielded consistently high and reproducible recovery (coefficient of variation, 30%) of rhizobia from several tropical soils. In the modified procedure, partially hydrolyzed gelatin, diluted in ammonium phosphate, was used to suspend the soil. This caused dispersion of the soil and release of the bacteria from soil flocs. The efficiency of recovery of Rhizobium spp. from several tropical and two temperate soils remained high as the content of these soils in soil-sand mixtures was increased from 0 to 100%. The modified membrane filter immunofluorescence procedure was used to follow the growth of a strain of chickpea (Cicer arietinum) Rhizobium in a sterilized oxisol. The results showed a close agreement with viable counts at different stages during the growth cycle. Diluent for the hydrolyzed gelatin also had a marked effect on recovery. The efficiency of release of Rhizobium spp. from an oxisol was in the following order for the diluents used: 0.1 M (NH4)2HPO4 > 0.1 M Na2HPO4 = 0.1 M sodium-phosphate-buffered saline (pH 7.2) > 0.2 M NH4Cl > 0.2 KCl > NaCl = LiCl > water. Images PMID:16345824

Release of Rhizobium spp. from Tropical Soils and Recovery for Immunofluorescence Enumeration.

PubMed

Kingsley, M T; Bohlool, B B

1981-08-01

Limitations associated with immunofluorescence enumeration of bacteria in soil derive largely from the efficiency with which cells can be separated from soil particles and collected on membrane filters for staining. Many tropical soils fix added bacteria tightly, resulting in low recoveries. Eight soils, representative of three of the major soil orders found in the tropics (oxisols, vertisols, and inceptisols), were tested for recovery of added Rhizobium strains. All except one Hawaiian andept (Typic Eutrandept) yielded recoveries ranging from <1 to 13%. Recovery from the andept was 100%. In soil-sand mixtures, addition of only a small amount of soil caused a dramatic decrease in recovery of added rhizobia. Increasing the soil content of the mixture from 0% (10 g of sand) to 50% (5 g of soil-5 g of sand) reduced recoveries from >90 to <1%. Varying the ionic strength and pH of the extracting solution did not cause marked increases in recovery. Protein solutions, ethylenediaminetetraacetate, and NaHCO(3), on the other hand, improved release of bacteria. We report a modification to the usual membrane filter immunofluorescence procedure which yielded consistently high and reproducible recovery (coefficient of variation, 30%) of rhizobia from several tropical soils. In the modified procedure, partially hydrolyzed gelatin, diluted in ammonium phosphate, was used to suspend the soil. This caused dispersion of the soil and release of the bacteria from soil flocs. The efficiency of recovery of Rhizobium spp. from several tropical and two temperate soils remained high as the content of these soils in soil-sand mixtures was increased from 0 to 100%. The modified membrane filter immunofluorescence procedure was used to follow the growth of a strain of chickpea (Cicer arietinum) Rhizobium in a sterilized oxisol. The results showed a close agreement with viable counts at different stages during the growth cycle. Diluent for the hydrolyzed gelatin also had a marked effect on recovery. The efficiency of release of Rhizobium spp. from an oxisol was in the following order for the diluents used: 0.1 M (NH(4))(2)HPO(4) > 0.1 M Na(2)HPO(4) = 0.1 M sodium-phosphate-buffered saline (pH 7.2) > 0.2 M NH(4)Cl > 0.2 KCl > NaCl = LiCl > water.

Optimized operation of dielectric laser accelerators: Multibunch

NASA Astrophysics Data System (ADS)

Hanuka, Adi; Schächter, Levi

2018-06-01

We present a self-consistent analysis to determine the optimal charge, gradient, and efficiency for laser driven accelerators operating with a train of microbunches. Specifically, we account for the beam loading reduction on the material occurring at the dielectric-vacuum interface. In the case of a train of microbunches, such beam loading effect could be detrimental due to energy spread, however this may be compensated by a tapered laser pulse. We ultimately propose an optimization procedure with an analytical solution for group velocity which equals to half the speed of light. This optimization results in a maximum efficiency 20% lower than the single bunch case, and a total accelerated charge of 1 06 electrons in the train. The approach holds promise for improving operations of dielectric laser accelerators and may have an impact on emerging laser accelerators driven by high-power optical lasers.

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

PubMed

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

2010-06-28

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

Compression-RSA technique: A more efficient encryption-decryption procedure

NASA Astrophysics Data System (ADS)

Mandangan, Arif; Mei, Loh Chai; Hung, Chang Ee; Che Hussin, Che Haziqah

2014-06-01

The efficiency of encryption-decryption procedures has become a major problem in asymmetric cryptography. Compression-RSA technique is developed to overcome the efficiency problem by compressing the numbers of kplaintext, where k∈Z+ and k > 2, becoming only 2 plaintext. That means, no matter how large the numbers of plaintext, they will be compressed to only 2 plaintext. The encryption-decryption procedures are expected to be more efficient since these procedures only receive 2 inputs to be processed instead of kinputs. However, it is observed that as the numbers of original plaintext are increasing, the size of the new plaintext becomes bigger. As a consequence, it will probably affect the efficiency of encryption-decryption procedures, especially for RSA cryptosystem since both of its encryption-decryption procedures involve exponential operations. In this paper, we evaluated the relationship between the numbers of original plaintext and the size of the new plaintext. In addition, we conducted several experiments to show that the RSA cryptosystem with embedded Compression-RSA technique is more efficient than the ordinary RSA cryptosystem.

Higher-order adaptive finite-element methods for Kohn–Sham density functional theory

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

Motamarri, P.; Nowak, M.R.; Leiter, K.

2013-11-15

We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn–Sham density-functional theory (DFT). To this end, we develop an a priori mesh-adaption technique to construct a close to optimal finite-element discretization of the problem. We further propose an efficient solution strategy for solving the discrete eigenvalue problem by using spectral finite-elements in conjunction with Gauss–Lobatto quadrature, and a Chebyshev acceleration technique for computing the occupied eigenspace. The proposed approach has been observed to provide a staggering 100–200-fold computational advantage over the solution of a generalized eigenvalue problem. Using the proposedmore » solution procedure, we investigate the computational efficiency afforded by higher-order finite-element discretizations of the Kohn–Sham DFT problem. Our studies suggest that staggering computational savings—of the order of 1000-fold—relative to linear finite-elements can be realized, for both all-electron and local pseudopotential calculations, by using higher-order finite-element discretizations. On all the benchmark systems studied, we observe diminishing returns in computational savings beyond the sixth-order for accuracies commensurate with chemical accuracy, suggesting that the hexic spectral-element may be an optimal choice for the finite-element discretization of the Kohn–Sham DFT problem. A comparative study of the computational efficiency of the proposed higher-order finite-element discretizations suggests that the performance of finite-element basis is competing with the plane-wave discretization for non-periodic local pseudopotential calculations, and compares to the Gaussian basis for all-electron calculations to within an order of magnitude. Further, we demonstrate the capability of the proposed approach to compute the electronic structure of a metallic system containing 1688 atoms using modest computational resources, and good scalability of the present implementation up to 192 processors.« less

A Robust Adaptive Autonomous Approach to Optimal Experimental Design

NASA Astrophysics Data System (ADS)

Gu, Hairong

Experimentation is the fundamental tool of scientific inquiries to understand the laws governing the nature and human behaviors. Many complex real-world experimental scenarios, particularly in quest of prediction accuracy, often encounter difficulties to conduct experiments using an existing experimental procedure for the following two reasons. First, the existing experimental procedures require a parametric model to serve as the proxy of the latent data structure or data-generating mechanism at the beginning of an experiment. However, for those experimental scenarios of concern, a sound model is often unavailable before an experiment. Second, those experimental scenarios usually contain a large number of design variables, which potentially leads to a lengthy and costly data collection cycle. Incompetently, the existing experimental procedures are unable to optimize large-scale experiments so as to minimize the experimental length and cost. Facing the two challenges in those experimental scenarios, the aim of the present study is to develop a new experimental procedure that allows an experiment to be conducted without the assumption of a parametric model while still achieving satisfactory prediction, and performs optimization of experimental designs to improve the efficiency of an experiment. The new experimental procedure developed in the present study is named robust adaptive autonomous system (RAAS). RAAS is a procedure for sequential experiments composed of multiple experimental trials, which performs function estimation, variable selection, reverse prediction and design optimization on each trial. Directly addressing the challenges in those experimental scenarios of concern, function estimation and variable selection are performed by data-driven modeling methods to generate a predictive model from data collected during the course of an experiment, thus exempting the requirement of a parametric model at the beginning of an experiment; design optimization is performed to select experimental designs on the fly of an experiment based on their usefulness so that fewest designs are needed to reach useful inferential conclusions. Technically, function estimation is realized by Bayesian P-splines, variable selection is realized by Bayesian spike-and-slab prior, reverse prediction is realized by grid-search and design optimization is realized by the concepts of active learning. The present study demonstrated that RAAS achieves statistical robustness by making accurate predictions without the assumption of a parametric model serving as the proxy of latent data structure while the existing procedures can draw poor statistical inferences if a misspecified model is assumed; RAAS also achieves inferential efficiency by taking fewer designs to acquire useful statistical inferences than non-optimal procedures. Thus, RAAS is expected to be a principled solution to real-world experimental scenarios pursuing robust prediction and efficient experimentation.

A Method for Calculating Strain Energy Release Rates in Preliminary Design of Composite Skin/Stringer Debonding Under Multi-Axial Loading

NASA Technical Reports Server (NTRS)

Krueger, Ronald; Minguet, Pierre J.; OBrien, T. Kevin

1999-01-01

Three simple procedures were developed to determine strain energy release rates, G, in composite skin/stringer specimens for various combinations of unaxial and biaxial (in-plane/out-of-plane) loading conditions. These procedures may be used for parametric design studies in such a way that only a few finite element computations will be necessary for a study of many load combinations. The results were compared with mixed mode strain energy release rates calculated directly from nonlinear two-dimensional plane-strain finite element analyses using the virtual crack closure technique. The first procedure involved solving three unknown parameters needed to determine the energy release rates. Good agreement was obtained when the external loads were used in the expression derived. This superposition technique was only applicable if the structure exhibits a linear load/deflection behavior. Consequently, a second technique was derived which was applicable in the case of nonlinear load/deformation behavior. The technique involved calculating six unknown parameters from a set of six simultaneous linear equations with data from six nonlinear analyses to determine the energy release rates. This procedure was not time efficient, and hence, less appealing. A third procedure was developed to calculate mixed mode energy release rates as a function of delamination lengths. This procedure required only one nonlinear finite element analysis of the specimen with a single delamination length to obtain a reference solution for the energy release rates and the scale factors. The delamination was extended in three separate linear models of the local area in the vicinity of the delamination subjected to unit loads to obtain the distribution of G with delamination lengths. This set of sub-problems was Although additional modeling effort is required to create the sub- models, this local technique is efficient for parametric studies.

Systematic procedure for designing processes with multiple environmental objectives.

PubMed

Kim, Ki-Joo; Smith, Raymond L

2005-04-01

Evaluation of multiple objectives is very important in designing environmentally benign processes. It requires a systematic procedure for solving multiobjective decision-making problems due to the complex nature of the problems, the need for complex assessments, and the complicated analysis of multidimensional results. In this paper, a novel systematic procedure is presented for designing processes with multiple environmental objectives. This procedure has four steps: initialization, screening, evaluation, and visualization. The first two steps are used for systematic problem formulation based on mass and energy estimation and order of magnitude analysis. In the third step, an efficient parallel multiobjective steady-state genetic algorithm is applied to design environmentally benign and economically viable processes and to provide more accurate and uniform Pareto optimal solutions. In the last step a new visualization technique for illustrating multiple objectives and their design parameters on the same diagram is developed. Through these integrated steps the decision-maker can easily determine design alternatives with respect to his or her preferences. Most importantly, this technique is independent of the number of objectives and design parameters. As a case study, acetic acid recovery from aqueous waste mixtures is investigated by minimizing eight potential environmental impacts and maximizing total profit. After applying the systematic procedure, the most preferred design alternatives and their design parameters are easily identified.

Selection of Crop Varieties for Efficient Production Using Urea, Ammonia, Nitrite, and Nitrate in Celss

NASA Technical Reports Server (NTRS)

Huffaker, R. C.

1982-01-01

The presence of NO2(-) in the external solution increased the overall efficiency of the mixed N sources by cereal leaves. The NH4(+) in the substrate solution decreased the efficiency of NO3(-) reduction, while NO3(-) in the substrate solution increased the efficiency of NH4(+) assimilation.

Local flaps: a real-time finite element based solution to the plastic surgery defect puzzle.

PubMed

Sifakis, Eftychios; Hellrung, Jeffrey; Teran, Joseph; Oliker, Aaron; Cutting, Court

2009-01-01

One of the most fundamental challenges in plastic surgery is the alteration of the geometry and topology of the skin. The specific decisions made by the surgeon concerning the size and shape of the tissue to be removed and the subsequent closure of the resulting wound may have a dramatic affect on the quality of life for the patient after the procedure is completed. The plastic surgeon must look at the defect created as an organic puzzle, designing the optimal pattern to close the hole aesthetically and efficiently. In the past, such skills were the distillation of years of hands-on practice on live patients, while relevant reference material was limited to two-dimensional illustrations. Practicing this procedure on a personal computer [1] has been largely impractical to date, but recent technological advances may come to challenge this limitation. We present a comprehensive real-time virtual surgical environment, based on finite element modeling and simulation of tissue cutting and manipulation. Our system demonstrates the fundamental building blocks of plastic surgery procedures on a localized tissue flap, and provides a proof of concept for larger simulation systems usable in the authoring of complex procedures on elaborate subject geometry.

Reduced-Order Models Based on POD-Tpwl for Compositional Subsurface Flow Simulation

NASA Astrophysics Data System (ADS)

Durlofsky, L. J.; He, J.; Jin, L. Z.

2014-12-01

A reduced-order modeling procedure applicable for compositional subsurface flow simulation will be described and applied. The technique combines trajectory piecewise linearization (TPWL) and proper orthogonal decomposition (POD) to provide highly efficient surrogate models. The method is based on a molar formulation (which uses pressure and overall component mole fractions as the primary variables) and is applicable for two-phase, multicomponent systems. The POD-TPWL procedure expresses new solutions in terms of linearizations around solution states generated and saved during previously simulated 'training' runs. High-dimensional states are projected into a low-dimensional subspace using POD. Thus, at each time step, only a low-dimensional linear system needs to be solved. Results will be presented for heterogeneous three-dimensional simulation models involving CO2 injection. Both enhanced oil recovery and carbon storage applications (with horizontal CO2 injectors) will be considered. Reasonably close agreement between full-order reference solutions and compositional POD-TPWL simulations will be demonstrated for 'test' runs in which the well controls differ from those used for training. Construction of the POD-TPWL model requires preprocessing overhead computations equivalent to about 3-4 full-order runs. Runtime speedups using POD-TPWL are, however, very significant - typically O(100-1000). The use of POD-TPWL for well control optimization will also be illustrated. For this application, some amount of retraining during the course of the optimization is required, which leads to smaller, but still significant, speedup factors.

Improvements in nanoscale zero-valent iron production by milling through the addition of alumina

NASA Astrophysics Data System (ADS)

Ribas, D.; Cernik, M.; Martí, V.; Benito, J. A.

2016-07-01

A new milling procedure for a cost-effective production of nanoscale zero-valent iron for environmental remediation is presented. Conventional ball milling of iron in an organic solvent as Mono Ethylene Glycol produces flattened iron particles that are unlikely to break even after very long milling times. With the aim of breaking down these iron flakes, in this new procedure, further milling is carried out by adding an amount of fine alumina powder to the previously milled solution. As the amount of added alumina increases from 9 to 54 g l-1, a progressive decrease of the presence of flakes is observed. In the latter case, the appearance of the particles formed by fragments of former flakes is rather homogeneous, with most of the final nanoparticles having an equivalent diameter well below 1 µm and with an average particle size in solution of around 400 nm. An additional increase of alumina content results in a highly viscous solution showing worse particle size distribution. Milled particles, in the case of alumina concentrations of 54 g l-1, have a fairly large specific surface area and high Fe(0) content. These new particles show a very good Cr(VI) removal efficiency compared with other commercial products available. This good reactivity is related to the absence of an oxide layer, the large amount of superficial irregularities generated by the repetitive fracture process during milling and the presence of a fine nanostructure within the iron nanoparticles.

Accurate modelling of unsteady flows in collapsible tubes.

PubMed

Marchandise, Emilie; Flaud, Patrice

2010-01-01

The context of this paper is the development of a general and efficient numerical haemodynamic tool to help clinicians and researchers in understanding of physiological flow phenomena. We propose an accurate one-dimensional Runge-Kutta discontinuous Galerkin (RK-DG) method coupled with lumped parameter models for the boundary conditions. The suggested model has already been successfully applied to haemodynamics in arteries and is now extended for the flow in collapsible tubes such as veins. The main difference with cardiovascular simulations is that the flow may become supercritical and elastic jumps may appear with the numerical consequence that scheme may not remain monotone if no limiting procedure is introduced. We show that our second-order RK-DG method equipped with an approximate Roe's Riemann solver and a slope-limiting procedure allows us to capture elastic jumps accurately. Moreover, this paper demonstrates that the complex physics associated with such flows is more accurately modelled than with traditional methods such as finite difference methods or finite volumes. We present various benchmark problems that show the flexibility and applicability of the numerical method. Our solutions are compared with analytical solutions when they are available and with solutions obtained using other numerical methods. Finally, to illustrate the clinical interest, we study the emptying process in a calf vein squeezed by contracting skeletal muscle in a normal and pathological subject. We compare our results with experimental simulations and discuss the sensitivity to parameters of our model.

10 CFR 431.21 - Procedures for recognition and withdrawal of recognition of accreditation bodies and...

Code of Federal Regulations, 2011 CFR

2011-01-01

... ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Electric Motors Test Procedures, Materials Incorporated and Methods of Determining Efficiency § 431.21 Procedures... Assistant Secretary for Energy Efficiency and Renewable Energy, U.S. Department of Energy, Forrestal...

75 FR 71596 - Energy Efficiency Program for Certain Commercial and Industrial Equipment: Test Procedures for...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-24

... Efficiency Program for Certain Commercial and Industrial Equipment: Test Procedures for Commercial Refrigeration Equipment AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION... amendments to its test procedure for commercial refrigeration equipment (CRE). The amendments would update...

A Systems Approach to Evaluating Ionizing Radiation: Six Focus Areas to Improve Quality, Efficiency, and Patient Safety

PubMed Central

Mower, Laura; Bushe, Chris

2015-01-01

Abstract: Ionizing radiation is an essential component of the care process. However, providers and patients may not be fully aware of the risks involved, the level of ionizing radiation delivered with various procedures, or the potential for harm through incidental overexposure or cumulative dose. Recent high-profile incidents demonstrating the devastating short-term consequences of radiation overexposure have drawn attention to these risks, but applicable solutions are lacking. Although various recommendations and guidelines have been proposed, organizational variability challenges providers to identify their own practical solutions. To identify potential failure modes and develop solutions to preserve patient safety within a large, national healthcare system, we assembled a multidisciplinary team to conduct a comprehensive analysis of practices surrounding the delivery of ionizing radiation. Workgroups were developed to analyze existing culture, processes, and technology to identify deficiencies and propose solutions. Six focus areas were identified: competency and certification; equipment; monitoring and auditing; education; clinical pathways; and communication and marketing. This manuscript summarizes this comprehensive, multidisciplinary, and systemic analysis of risk and provides examples to illustrate how these focus areas can be used to improve the use of ionizing radiation. The proposed solutions, once fully implemented, may advance patient safety and care. PMID:26042626

Nodal Green’s Function Method Singular Source Term and Burnable Poison Treatment in Hexagonal Geometry

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

A.A. Bingham; R.M. Ferrer; A.M. ougouag

2009-09-01

An accurate and computationally efficient two or three-dimensional neutron diffusion model will be necessary for the development, safety parameters computation, and fuel cycle analysis of a prismatic Very High Temperature Reactor (VHTR) design under Next Generation Nuclear Plant Project (NGNP). For this purpose, an analytical nodal Green’s function solution for the transverse integrated neutron diffusion equation is developed in two and three-dimensional hexagonal geometry. This scheme is incorporated into HEXPEDITE, a code first developed by Fitzpatrick and Ougouag. HEXPEDITE neglects non-physical discontinuity terms that arise in the transverse leakage due to the transverse integration procedure application to hexagonal geometry andmore » cannot account for the effects of burnable poisons across nodal boundaries. The test code being developed for this document accounts for these terms by maintaining an inventory of neutrons by using the nodal balance equation as a constraint of the neutron flux equation. The method developed in this report is intended to restore neutron conservation and increase the accuracy of the code by adding these terms to the transverse integrated flux solution and applying the nodal Green’s function solution to the resulting equation to derive a semi-analytical solution.« less

Inorganic nanoparticles for transfection of mammalian cells and removal of viruses from aqueous solutions.

PubMed

Link, Nils; Brunner, Tobias J; Dreesen, Imke A J; Stark, Wendelin J; Fussenegger, Martin

2007-12-01

Owing to their small size, synthetic nanoparticles show unprecedented biophysical and biochemical properties which may foster novel advances in life-science research. Using flame-spray synthesis technology we have produced non-coated aluminum-, calcium-, cerium-, and zirconium-derived inorganic metal oxide nanoparticles which not only exhibit high affinity for nucleic acids, but can sequester such compounds from aqueous solution. This non-covalent DNA-binding capacity was successfully used to transiently transfect a variety of mammalian cells including human, reaching transfection efficiencies which compared favorably with classic calcium phosphate precipitation (CaP) procedures and lipofection. In this straightforward protocol, transfection was enabled by simply mixing nanoparticles with DNA in solution prior to addition to the target cell population. Transiently transfected cells showed higher production levels of the human secreted glycoprotein SEAP compared to isogenic populations transfected with established technologies. Inorganic metal oxide nanoparticles also showed a high binding capacity to human-pathogenic viruses including adenovirus, adeno-associated virus and human immunodeficiency virus type 1 and were able to clear these pathogens from aqueous solutions. The DNA transfection and viral clearance capacities of inorganic metal oxide nanoparticles may provide cost-effective biopharmaceutical manufacturing and water treatment in developing countries.

40 CFR 63.752 - Recordkeeping requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... efficiency of the control system (as determined using the procedures specified in § 63.750(h)) and all test... adsorber: (i) The overall control efficiency of the control system (as determined using the procedures... overall control efficiency of the control system (as determined using the procedures specified in § 63.750...

40 CFR 63.752 - Recordkeeping requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... efficiency of the control system (as determined using the procedures specified in § 63.750(h)) and all test... adsorber: (i) The overall control efficiency of the control system (as determined using the procedures... overall control efficiency of the control system (as determined using the procedures specified in § 63.750...

40 CFR 63.752 - Recordkeeping requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... efficiency of the control system (as determined using the procedures specified in § 63.750(h)) and all test... adsorber: (i) The overall control efficiency of the control system (as determined using the procedures... overall control efficiency of the control system (as determined using the procedures specified in § 63.750...

40 CFR 63.752 - Recordkeeping requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... efficiency of the control system (as determined using the procedures specified in § 63.750(h)) and all test... adsorber: (i) The overall control efficiency of the control system (as determined using the procedures... overall control efficiency of the control system (as determined using the procedures specified in § 63.750...

40 CFR 63.752 - Recordkeeping requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

... efficiency of the control system (as determined using the procedures specified in § 63.750(h)) and all test... adsorber: (i) The overall control efficiency of the control system (as determined using the procedures... overall control efficiency of the control system (as determined using the procedures specified in § 63.750...

A general multiblock Euler code for propulsion integration. Volume 3: User guide for the Euler code

NASA Technical Reports Server (NTRS)

Chen, H. C.; Su, T. Y.; Kao, T. J.

1991-01-01

This manual explains the procedures for using the general multiblock Euler (GMBE) code developed under NASA contract NAS1-18703. The code was developed for the aerodynamic analysis of geometrically complex configurations in either free air or wind tunnel environments (vol. 1). The complete flow field is divided into a number of topologically simple blocks within each of which surface fitted grids and efficient flow solution algorithms can easily be constructed. The multiblock field grid is generated with the BCON procedure described in volume 2. The GMBE utilizes a finite volume formulation with an explicit time stepping scheme to solve the Euler equations. A multiblock version of the multigrid method was developed to accelerate the convergence of the calculations. This user guide provides information on the GMBE code, including input data preparations with sample input files and a sample Unix script for program execution in the UNICOS environment.

High-performance parallel analysis of coupled problems for aircraft propulsion

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Lanteri, S.; Maman, N.; Piperno, S.; Gumaste, U.

1994-01-01

This research program deals with the application of high-performance computing methods for the analysis of complete jet engines. We have entitled this program by applying the two dimensional parallel aeroelastic codes to the interior gas flow problem of a bypass jet engine. The fluid mesh generation, domain decomposition, and solution capabilities were successfully tested. We then focused attention on methodology for the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion that results from these structural displacements. This is treated by a new arbitrary Lagrangian-Eulerian (ALE) technique that models the fluid mesh motion as that of a fictitious mass-spring network. New partitioned analysis procedures to treat this coupled three-component problem are developed. These procedures involved delayed corrections and subcycling. Preliminary results on the stability, accuracy, and MPP computational efficiency are reported.

Calcium-buffering effects of gluconate and nucleotides, as determined by a novel fluorimetric titration method.

PubMed

Woehler, Andrew; Lin, Kun-Han; Neher, Erwin

2014-11-15

Significantly more Ca(2+) influx is required for eliciting release of neurotransmitter during whole cell patch clamp recording in the Calyx of Held, when gluconate with 3 mm free ATP is used as pipette filling solution, as compared to a methanesulfonate-based solution with excess Mg(2+). This reduction in efficiency of Ca(2+) in eliciting release is due to low-affinity Ca(2+) binding of both gluconate and ATP(2-) anions. To study these effects we developed a simple fluorimeteric titration procedure, which reports the dissociation constant, KD, of a given Ca(2+) indicator dye, multiplied by 1 plus the sum of Ca(2+) binding ratios of any anions, which act as low-affinity Ca(2+) ligands. For solutions without Ca(2+) binding anions we find KD values for Fura2FF ranging from 11.5 ± 1.7 to 15.6 ± 7.47 μm depending on the dominant anion used. For Fura6F and KCl-based solutions we find KD = 17.8 ± 1.3 μm. For solutions with gluconate as the main anion and for solutions that contain nucleotides, such as ATP and GTP, we find much higher values for the product. Assuming that the KD of the indicator dye is equal to that of KCl-based solutions we calculate the summed Ca(2+) binding ratios and find a value of 3.55 for a solution containing 100 mm potassium gluconate and 4 mm ATP. Gluconate contributes a value of 1.75 to this number, while the contribution of ATP depends strongly on the presence of Mg(2+) and varies from 0.8 (with excess Mg(2+)) to 13.8 (in the presence of 3 mm free ATP). Methanesulfonate has negligible Ca(2+) binding capacity. These results explain the reduced efficiency of Ca(2+) influx in the presence of gluconate or nucleotides, as these anions are expected to intercept Ca(2+) ions at short distance. © 2014 The Authors. The Journal of Physiology © 2014 The Physiological Society.

Recursive thoughts on the simulation of the flexible multibody dynamics of slender offshore structures

NASA Astrophysics Data System (ADS)

Schilder, J.; Ellenbroek, M.; de Boer, A.

2017-12-01

In this work, the floating frame of reference formulation is used to create a flexible multibody model of slender offshore structures such as pipelines and risers. It is shown that due to the chain-like topology of the considered structures, the equation of motion can be expressed in terms of absolute interface coordinates. In the presented form, kinematic constraint equations are satisfied explicitly and the Lagrange multipliers are eliminated from the equations. Hence, the structures can be conveniently coupled to finite element or multibody models of for example seabed and vessel. The chain-like topology enables the efficient use of recursive solution procedures for both transient dynamic analysis and equilibrium analysis. For this, the transfer matrix method is used. In order to improve the convergence of the equilibrium analysis, the analytical solution of an ideal catenary is used as an initial configuration, reducing the number of required iterations.

New Whole-House Solutions Case Study: Technology Solutions for New Manufactured Homes, Idaho, Oregon, and Washington

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

BA-PIRC

2013-11-01

The Building America Partnership for Improved Residential Construction, the Bonneville Power Administration (BPA), and Northwest Energy Works (NEW), the current Northwest Energy Efficient Manufactured Housing Program (NEEM) administrator, have been collaborating to conduct research on new specifications that would improve on the energy requirements of a NEEM home. In its role as administrator, NEW administers the technical specs, performs research and engineering analysis, implements ongoing construction quality management procedures, and maintains a central database with home tracking. This project prototyped and assessed the performances of cost-effective high performance building assemblies and mechanical systems that are not commonly deployed in themore » manufacturing setting. The package of measures is able to reduce energy used for space conditioning, water heating and lighting by 50 percent over typical manufactured homes produced in the northwest.« less

Finite element solution of optimal control problems with inequality constraints

NASA Technical Reports Server (NTRS)

Bless, Robert R.; Hodges, Dewey H.

1990-01-01

A finite-element method based on a weak Hamiltonian form of the necessary conditions is summarized for optimal control problems. Very crude shape functions (so simple that element numerical quadrature is not necessary) can be used to develop an efficient procedure for obtaining candidate solutions (i.e., those which satisfy all the necessary conditions) even for highly nonlinear problems. An extension of the formulation allowing for discontinuities in the states and derivatives of the states is given. A theory that includes control inequality constraints is fully developed. An advanced launch vehicle (ALV) model is presented. The model involves staging and control constraints, thus demonstrating the full power of the weak formulation to date. Numerical results are presented along with total elapsed computer time required to obtain the results. The speed and accuracy in obtaining the results make this method a strong candidate for a real-time guidance algorithm.

On a multigrid method for the coupled Stokes and porous media flow problem

NASA Astrophysics Data System (ADS)

Luo, P.; Rodrigo, C.; Gaspar, F. J.; Oosterlee, C. W.

2017-07-01

The multigrid solution of coupled porous media and Stokes flow problems is considered. The Darcy equation as the saturated porous medium model is coupled to the Stokes equations by means of appropriate interface conditions. We focus on an efficient multigrid solution technique for the coupled problem, which is discretized by finite volumes on staggered grids, giving rise to a saddle point linear system. Special treatment is required regarding the discretization at the interface. An Uzawa smoother is employed in multigrid, which is a decoupled procedure based on symmetric Gauss-Seidel smoothing for velocity components and a simple Richardson iteration for the pressure field. Since a relaxation parameter is part of a Richardson iteration, Local Fourier Analysis (LFA) is applied to determine the optimal parameters. Highly satisfactory multigrid convergence is reported, and, moreover, the algorithm performs well for small values of the hydraulic conductivity and fluid viscosity, that are relevant for applications.

Genetic Algorithms Applied to Multi-Objective Aerodynamic Shape Optimization

NASA Technical Reports Server (NTRS)

Holst, Terry L.

2004-01-01

A genetic algorithm approach suitable for solving multi-objective optimization problems is described and evaluated using a series of aerodynamic shape optimization problems. Several new features including two variations of a binning selection algorithm and a gene-space transformation procedure are included. The genetic algorithm is suitable for finding pareto optimal solutions in search spaces that are defined by any number of genes and that contain any number of local extrema. A new masking array capability is included allowing any gene or gene subset to be eliminated as decision variables from the design space. This allows determination of the effect of a single gene or gene subset on the pareto optimal solution. Results indicate that the genetic algorithm optimization approach is flexible in application and reliable. The binning selection algorithms generally provide pareto front quality enhancements and moderate convergence efficiency improvements for most of the problems solved.

Genetic Algorithms Applied to Multi-Objective Aerodynamic Shape Optimization

NASA Technical Reports Server (NTRS)

Holst, Terry L.

2005-01-01

A genetic algorithm approach suitable for solving multi-objective problems is described and evaluated using a series of aerodynamic shape optimization problems. Several new features including two variations of a binning selection algorithm and a gene-space transformation procedure are included. The genetic algorithm is suitable for finding Pareto optimal solutions in search spaces that are defined by any number of genes and that contain any number of local extrema. A new masking array capability is included allowing any gene or gene subset to be eliminated as decision variables from the design space. This allows determination of the effect of a single gene or gene subset on the Pareto optimal solution. Results indicate that the genetic algorithm optimization approach is flexible in application and reliable. The binning selection algorithms generally provide Pareto front quality enhancements and moderate convergence efficiency improvements for most of the problems solved.

Checklist for Early Recognition and Treatment of Acute Illness (CERTAIN): evolution of a content management system for point-of-care clinical decision support.

PubMed

Barwise, Amelia; Garcia-Arguello, Lisbeth; Dong, Yue; Hulyalkar, Manasi; Vukoja, Marija; Schultz, Marcus J; Adhikari, Neill K J; Bonneton, Benjamin; Kilickaya, Oguz; Kashyap, Rahul; Gajic, Ognjen; Schmickl, Christopher N

2016-10-03

The Checklist for Early Recognition and Treatment of Acute Illness (CERTAIN) is an international collaborative project with the overall objective of standardizing the approach to the evaluation and treatment of critically ill patients world-wide, in accordance with best-practice principles. One of CERTAIN's key features is clinical decision support providing point-of-care information about common acute illness syndromes, procedures, and medications in an index card format. This paper describes 1) the process of developing and validating the content for point-of-care decision support, and 2) the content management system that facilitates frequent peer-review and allows rapid updates of content across different platforms (CERTAIN software, mobile apps, pdf-booklet) and different languages. Content was created based on survey results of acute care providers and validated using an open peer-review process. Over a 3 year period, CERTAIN content expanded to include 67 syndrome cards, 30 procedure cards, and 117 medication cards. 127 (59 %) cards have been peer-reviewed so far. Initially MS Word® and Dropbox® were used to create, store, and share content for peer-review. Recently Google Docs® was used to make the peer-review process more efficient. However, neither of these approaches met our security requirements nor has the capacity to instantly update the different CERTAIN platforms. Although we were able to successfully develop and validate a large inventory of clinical decision support cards in a short period of time, commercially available software solutions for content management are suboptimal. Novel custom solutions are necessary for efficient global point of care content system management.

Grafting the surface of carbon nanotubes and carbon black with the chemical properties of hyperbranched polyamines

NASA Astrophysics Data System (ADS)

Morales-Lara, Francisco; Domingo-García, María; López-Garzón, Rafael; Luz Godino-Salido, María; Peñas-Sanjuán, Antonio; López-Garzón, F. Javier; Pérez-Mendoza, Manuel; Melguizo, Manuel

2016-01-01

Controlling the chemistry on the surface of new carbon materials is a key factor to widen the range of their applicability. In this paper we show a grafting methodology of polyalkylamines to the surface of carbon nanomaterials, in particular, carbon nanotubes and a carbon black. The aim of this work is to reach large degrees of covalent functionalization with hyperbranched polyethyleneimines (HBPEIs) and to efficiently preserve the strong chelating properties of the HBPEIs when they are fixed to the surface of these carbon materials. This functionalization opens new possibilities of using these carbon nanotubes-based hybrids. The results show that the HBPEIs are covalently attached to the carbon materials, forming hybrids. These hybrids emerge from the reaction of amine functions of the HBPEIs with carbonyls and carboxylic anhydrides of the carbon surface which become imine and imide bonds. Thus, due to the nature of these bonds, the pre-oxidized samples with relevant number of C=O groups showed an increase in the degree of functionalization with the HBPEIs. Furthermore, both the acid-base properties and the coordination capacity for metal ions of the hybrids are equivalent to that of the free HBPEIs in solution. This means that the chemical characteristics of the HBPEIs have been efficiently transferred to the hybrids. To reach this conclusion we have developed a novel procedure to assess the acid-base and the coordination properties of the hybrids (solids) by means of potentiometric titration. The good agreement of the values obtained for the hybrids and for the free HBPEIs in aqueous solution supports the reliability of the procedure. Moreover, the high capacity of the hybrids to capture Ni2+ by complexation opens new possibilities of using these hybrids to capture high-value metal ions such as Pd2+ and Pt2+.

A Web-based Multimedia Program Before Colonoscopy Increased Knowledge and Decreased Anxiety, Sedation Requirement, and Procedure Time.

PubMed

Parker, Siddhartha; Zipursky, Jonathan; Ma, Helen; Baumblatt, Geri-Lynn; Siegel, Corey A

2018-07-01

Assess the impact of a web-based multimedia patient engagement program on patient anxiety, perception and knowledge about the colonoscopy in addition to procedure outcomes. The success of patients coming for a colonoscopy for colorectal cancer screening is dependent in part on patients' understanding of the preparation and of the procedure. Patients were randomized to use either our institution's standard preprocedure colonoscopy packet or a web-based multimedia patient engagement program (Emmi Solutions) before their scheduled procedure. On the day of colonoscopy, all participants completed a survey including questions to assess knowledge and perception of colonoscopy, in addition to the State Trait Anxiety Inventory. We also collected procedure data including medication doses and procedure time. Patients in the experimental group correctly answered knowledge questions (82%) more often than the control group (74%) (P=0.0003). More than half (58%) of patients in the experimental group felt this intervention reduced their anxiety about the procedure, and the State Trait Anxiety Inventory anxiety score was lower in the experimental group (P=0.026). Patients who viewed the program required less midazolam (3.66 vs. 4.46 mg, P=0.0035) and total procedure time was shorter (24.8 vs. 29 min, P=0.024). A web-based multimedia patient engagement program watched before colonoscopy decreased patient anxiety, medication requirements, and procedure time while increasing knowledge. This intervention could help patients understand and feel more comfortable about colonoscopy leading to increased screening rates while increasing efficiency and decreasing recovery time.

Simultaneous extraction and HPLC determination of 3-indole butyric acid and 3-indole acetic acid in pea plant by using ionic liquid-modified silica as sorbent.

PubMed

Sheikhian, Leila; Bina, Sedigheh

2016-01-15

In this study, ionic liquid-modified silica was used as sorbent for simultaneous extraction and preconcentration of 3-indole butyric acid and 3-indole acetic acid in pea plants. The effect of some parameters such as pH and ionic strength of sample solution, amount of sorbent, flow rate of aqueous sample solution and eluent solution, concentration of eluent solution, and temperature were studied for each hormone solution. Percent extraction of 3-indole butyric acid and 3-indole acetic acid was strongly affected by pH of aqueous sample solution. Ionic strength of aqueous phase and temperature showed no serious effects on extraction efficiency of studied plant hormones. Obtained breakthrough volume was 200mL for each of studied hormones. Preconcentration factor for spectroscopic and chromatographic determination of studied hormones was 100 and 4.0×10(3) respectively. Each solid sorbent phase was reusable for almost 10 times of extraction/stripping procedure. Relative standard deviations of extraction/stripping processes of 3-indole butyric acid and 3-indole acetic acid were 2.79% and 3.66% respectively. The calculated limit of detections for IBA and IAA were 9.1×10(-2)mgL(-1) and 1.6×10(-1)mgL(-1) respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

Ultrahigh-efficiency solution-processed simplified small-molecule organic light-emitting diodes using universal host materials

PubMed Central

Han, Tae-Hee; Choi, Mi-Ri; Jeon, Chan-Woo; Kim, Yun-Hi; Kwon, Soon-Ki; Lee, Tae-Woo

2016-01-01

Although solution processing of small-molecule organic light-emitting diodes (OLEDs) has been considered as a promising alternative to standard vacuum deposition requiring high material and processing cost, the devices have suffered from low luminous efficiency and difficulty of multilayer solution processing. Therefore, high efficiency should be achieved in simple-structured small-molecule OLEDs fabricated using a solution process. We report very efficient solution-processed simple-structured small-molecule OLEDs that use novel universal electron-transporting host materials based on tetraphenylsilane with pyridine moieties. These materials have wide band gaps, high triplet energy levels, and good solution processabilities; they provide balanced charge transport in a mixed-host emitting layer. Orange-red (~97.5 cd/A, ~35.5% photons per electron), green (~101.5 cd/A, ~29.0% photons per electron), and white (~74.2 cd/A, ~28.5% photons per electron) phosphorescent OLEDs exhibited the highest recorded electroluminescent efficiencies of solution-processed OLEDs reported to date. We also demonstrate a solution-processed flexible solid-state lighting device as a potential application of our devices. PMID:27819053

A comprehensive and efficient daily quality assurance for PBS proton therapy

NASA Astrophysics Data System (ADS)

Actis, O.; Meer, D.; König, S.; Weber, D. C.; Mayor, A.

2017-03-01

There are several general recommendations for quality assurance (QA) measures, which have to be performed at proton therapy centres. However, almost each centre uses a different therapy system. In particular, there is no standard procedure for centres employing pencil beam scanning and each centre applies a specific QA program. Gantry 2 is an operating therapy system which was developed at PSI and relies on the most advanced technological innovations. We developed a comprehensive daily QA program in order to verify the main beam characteristics to assure the functionality of the therapy delivery system and the patient safety system. The daily QA program entails new hardware and software solutions for a highly efficient clinical operation. In this paper, we describe a dosimetric phantom used for verifying the most critical beam parameters and the software architecture developed for a fully automated QA procedure. The connection between our QA software and the database allows us to store the data collected on a daily basis and use it for trend analysis over longer periods of time. All the data presented here have been collected during a time span of over two years, since the beginning of the Gantry 2 clinical operation in 2013. Our procedure operates in a stable way and delivers the expected beam quality. The daily QA program takes only 20 min. At the same time, the comprehensive approach allows us to avoid most of the weekly and monthly QA checks and increases the clinical beam availability.

One-Step Extraction and Hydrolysis of Flavonoid Glycosides in Rape Bee Pollen Based on Soxhlet-Assisted Matrix Solid Phase Dispersion.

PubMed

Tu, Xijuan; Ma, Shuangqin; Gao, Zhaosheng; Wang, Jing; Huang, Shaokang; Chen, Wenbin

2017-11-01

Flavonoids are frequently found as glycosylated derivatives in plant materials. To determine contents of flavonoid aglycones in these matrices, procedures for the extraction and hydrolysis of flavonoid glycosides are required. The current sample preparation method is both labour and time consuming. Develop a modified matrix solid phase dispersion (MSPD) procedure as an alternative methodology for the one-step extraction and hydrolysis of flavonoid glycosides. HPLC-DAD was applied for demonstrating the one-step extraction and hydrolysis of flavonoids in rape bee pollen. The obtained contents of flavonoid aglycones (quercetin, kaempferol, isorhamnetin) were used for the optimisation and validation of the method. The extraction and hydrolysis were accomplished in one step. The procedure completes in 2 h with silica gel as dispersant, a 1:2 ratio of sample to dispersant, and 60% aqueous ethanol with 0.3 M hydrochloric acid as the extraction solution. The relative standard deviations (RSDs) of repeatability were less than 5%, and the recoveries at two fortified levels were between 88.3 and 104.8%. The proposed methodology is simple and highly efficient, with good repeatability and recovery. Compared with currently available methods, the present work has advantages of using less time and labour, higher extraction efficiency, and less consumption of the acid catalyst. This method may have applications for the one-step extraction and hydrolysis of bioactive compounds from plant materials. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Endothelial protection: avoiding air bubble formation at the phacoemulsification tip.

PubMed

Kim, Eung Kweon; Cristol, Stephen M; Kang, Shin J; Edelhauser, Henry F; Yeon, Dong-Soo; Lee, Jae Bum

2002-03-01

To investigate the conditions under which bubbles form during phacoemulsification. Department of Ophthalmology, Yonsei University College of Medicine, Seoul, Korea. In the first part of the study, the partial pressure of oxygen (pO(2)) was used as a surrogate measure for the partial pressure of air. Irrigation solutions packaged in glass and plastic containers were studied. A directly vented glass bottle was also tested. The pO(2) of the various irrigation solutions was measured as the containers were emptied. In the second part, phacoemulsification procedures were performed in rabbit eyes with different power settings and different irrigation solutions. Intracameral bubble formation during the procedure was recorded. Following the phacoemulsification procedures, the corneas were stained for F-actin and examined for endothelial injury. The initial pO(2) in irrigation solutions packaged in glass bottles was about half that at atmospheric levels; in solutions packaged in plastic, it was at atmospheric levels. As irrigation solutions were drained from the container, the pO(2) of the solution tended to rise toward atmospheric levels. The rate of pO(2) increase was markedly reduced by using a directly vented glass bottle. In the phacoemulsification procedures, bubble formation was most likely to occur with higher pO(2) and higher power settings. Observation of bubbles by the surgeon was highly correlated with endothelial damage. Keeping the pO(2) low reduced the risk of endothelial damage, especially at higher phacoemulsification powers. The packaging of irrigation solutions was the most important factor in controlling the initial pO(2) of the solution. The pO(2) can be minimized throughout a phacoemulsification procedure by using a directly vented glass bottle.

Encapsulation Efficiency and Micellar Structure of Solute-Carrying Block Copolymer Nanoparticles

PubMed Central

Woodhead, Jeffrey L.; Hall, Carol K.

2011-01-01

We use discontinuous molecular dynamics (DMD) computer simulation to investigate the encapsulation efficiency and micellar structure of solute-carrying block copolymer nanoparticles as a function of packing fraction, polymer volume fraction, solute mole fraction, and the interaction parameters between the hydrophobic head blocks and between the head and the solute. The encapsulation efficiency increases with increasing polymer volume fraction and packing fraction but decreases with increasing head-head interaction strength. The latter is due to an increased tendency for the solute to remain on the micelle surface. We compared two different nanoparticle assembly methods, one in which the solute and copolymer co-associate and the other in which the copolymer micelle is formed before the introduction of solute. The assembly method does not affect the encapsulation efficiency but does affect the solute uptake kinetics. Both head-solute interaction strength and head-head interaction strength affect the density profile of the micelles; increases in the former cause the solute to distribute more evenly throughout the micelle, while increases in the latter cause the solute to concentrate further from the center of the micelle. We explain our results in the context of a model of drug insertion into micelles formulated by Kumar and Prud’homme; as conditions become more conducive to micelle formation, a stronger energy barrier to solute insertion forms which in turn decreases the encapsulation efficiency of the system. PMID:21918582

Discussion summary: Fictitious domain methods

NASA Technical Reports Server (NTRS)

Glowinski, Rowland; Rodrigue, Garry

1991-01-01

Fictitious Domain methods are constructed in the following manner: Suppose a partial differential equation is to be solved on an open bounded set, Omega, in 2-D or 3-D. Let R be a rectangle domain containing the closure of Omega. The partial differential equation is first solved on R. Using the solution on R, the solution of the equation on Omega is then recovered by some procedure. The advantage of the fictitious domain method is that in many cases the solution of a partial differential equation on a rectangular region is easier to compute than on a nonrectangular region. Fictitious domain methods for solving elliptic PDEs on general regions are also very efficient when used on a parallel computer. The reason is that one can use the many domain decomposition methods that are available for solving the PDE on the fictitious rectangular region. The discussion on fictitious domain methods began with a talk by R. Glowinski in which he gave some examples of a variational approach to ficititious domain methods for solving the Helmholtz and Navier-Stokes equations.

ICECAP: an integrated, general-purpose, automation-assisted IC50/EC50 assay platform.

PubMed

Li, Ming; Chou, Judy; King, Kristopher W; Jing, Jing; Wei, Dong; Yang, Liyu

2015-02-01

IC50 and EC50 values are commonly used to evaluate drug potency. Mass spectrometry (MS)-centric bioanalytical and biomarker labs are now conducting IC50/EC50 assays, which, if done manually, are tedious and error-prone. Existing bioanalytical sample preparation automation systems cannot meet IC50/EC50 assay throughput demand. A general-purpose, automation-assisted IC50/EC50 assay platform was developed to automate the calculations of spiking solutions and the matrix solutions preparation scheme, the actual spiking and matrix solutions preparations, as well as the flexible sample extraction procedures after incubation. In addition, the platform also automates the data extraction, nonlinear regression curve fitting, computation of IC50/EC50 values, graphing, and reporting. The automation-assisted IC50/EC50 assay platform can process the whole class of assays of varying assay conditions. In each run, the system can handle up to 32 compounds and up to 10 concentration levels per compound, and it greatly improves IC50/EC50 assay experimental productivity and data processing efficiency. © 2014 Society for Laboratory Automation and Screening.

Optimization of Residual Stresses in MMC's Using Compensating/Compliant Interfacial Layers. Part 2: OPTCOMP User's Guide

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Salzar, Robert S.; Williams, Todd O.

1994-01-01

A user's guide for the computer program OPTCOMP is presented in this report. This program provides a capability to optimize the fabrication or service-induced residual stresses in uni-directional metal matrix composites subjected to combined thermo-mechanical axisymmetric loading using compensating or compliant layers at the fiber/matrix interface. The user specifies the architecture and the initial material parameters of the interfacial region, which can be either elastic or elastoplastic, and defines the design variables, together with the objective function, the associated constraints and the loading history through a user-friendly data input interface. The optimization procedure is based on an efficient solution methodology for the elastoplastic response of an arbitrarily layered multiple concentric cylinder model that is coupled to the commercial optimization package DOT. The solution methodology for the arbitrarily layered cylinder is based on the local-global stiffness matrix formulation and Mendelson's iterative technique of successive elastic solutions developed for elastoplastic boundary-value problems. The optimization algorithm employed in DOT is based on the method of feasible directions.

Multi-walled carbon nanotubes as solid-phase extraction sorbents for simultaneous determination of type A trichothecenes in maize, wheat and rice by ultra-high performance liquid chromatography-tandem mass spectrometry.

PubMed

Dong, Maofeng; Si, Wenshuai; Jiang, Keqiu; Nie, Dongxia; Wu, Yongjiang; Zhao, Zhihui; De Saeger, Sarah; Han, Zheng

2015-12-04

A solid-phase extraction (SPE) procedure using multi-walled carbon nanotubes (MWCNTs) as sorbents coupled with ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) was developed for simultaneous determination of four type A trichothecenes in maize, wheat and rice for the first time. Several key parameters including the composition of sample loading solutions, washing and elution solvents were thoroughly investigated to achieve optimal SPE recoveries and efficiency. Performance of the MWCNTs materials was significantly affected by pH, and after optimization, n-hexane and 5% methanol aqueous solution as the washing solutions and methanol containing 1% formic acid as the elution solvent presented an excellent purification efficiency for the four targets in the different matrices. The method was validated by determining the linearity (R(2)≥0.992), recovery (73.4-113.7%), precision (1.2-17.1%) and sensitivity (limit of quantification in the range of 0.02-0.10μg/kg), and was further applied for simultaneous determination of type A trichothecenes in 30 samples. Although low contamination levels of type A trichothecenes in wheat, maize and rice were observed revealing mitigated risks to consumers in Shanghai, China, the developed method has proven to be a valuable tool for type A trichothecenes monitoring in complex crop matrices. Copyright © 2015 Elsevier B.V. All rights reserved.

Mobility of arsenic and its compounds in soil and soil solution: the effect of soil pretreatment and extraction methods.

PubMed

Száková, J; Tlustos, P; Goessler, W; Frková, Z; Najmanová, J

2009-12-30

The effect of soil extraction procedures and/or sample pretreatment (drying, freezing of the soil sample) on the extractability of arsenic and its compounds was tested. In the first part, five extraction procedures were compared with following order of extractable arsenic portions: 2M HNO(3)>0.43 M CH(3)COOH>or=0.05 M EDTA>or=Mehlich III (0.2M CH(3)COOH+0.25 M NH(4)NO(3)+0.013 M HNO(3)+0.015 M NH(4)F+0.001 M EDTA) extraction>water). Additionally, two methods of soil solution sampling were compared, centrifugation of saturated soil and the use of suction cups. The results showed that different sample pretreatments including soil solution sampling could lead to different absolute values of mobile arsenic content in soils. However, the interpretation of the data can lead to similar conclusions as apparent from the comparison of the soil solution sampling methods (r=0.79). For determination of arsenic compounds mild extraction procedures (0.05 M (NH(4))(2)SO(4), 0.01 M CaCl(2), and water) and soil solution sampling using suction cups were compared. Regarding the real soil conditions the extraction of fresh samples and/or in situ collection of soil solution are preferred among the sample pretreatments and/or soil extraction procedures. However, chemical stabilization of the solutions should be allowed and included in the analytical procedures for determination of individual arsenic compounds.

Development of a linearized unsteady aerodynamic analysis for cascade gust response predictions

NASA Technical Reports Server (NTRS)

Verdon, Joseph M.; Hall, Kenneth C.

1990-01-01

A method for predicting the unsteady aerodynamic response of a cascade of airfoils to entropic, vortical, and acoustic gust excitations is being developed. Here, the unsteady flow is regarded as a small perturbation of a nonuniform isentropic and irrotational steady background flow. A splitting technique is used to decompose the linearized unsteady velocity into rotational and irrotational parts leading to equations for the complex amplitudes of the linearized unsteady entropy, rotational velocity, and velocity potential that are coupled only sequentially. The entropic and rotational velocity fluctuations are described by transport equations for which closed-form solutions in terms of the mean-flow drift and stream functions can be determined. The potential fluctuation is described by an inhomogeneous convected wave equation in which the source term depends on the rotational velocity field, and is determined using finite-difference procedures. The analytical and numerical techniques used to determine the linearized unsteady flow are outlined. Results are presented to indicate the status of the solution procedure and to demonstrate the impact of blade geometry and mean blade loading on the aerodynamic response of cascades to vortical gust excitations. The analysis described herein leads to very efficient predictions of cascade unsteady aerodynamic response phenomena making it useful for turbomachinery aeroelastic and aeroacoustic design applications.

Applying extrusive orthodontic force without compromising the obturated canal space.

PubMed

Keinan, David; Szwec, Jerard; Matas, Avital; Moshonov, Joshua; Yitschaky, Oded

2013-08-01

Complicated tooth fractures can be the unfortunate result of orofacial trauma and can offer a therapeutic challenge for the dentist. A conservative solution for gaining supragingival sound tooth structure often includes orthodontic forced eruption. Usually, this procedure is carried out by applying extrusive force after placing a provisional acrylic Richmond crown on the tooth. However, this long-lasting dental treatment may jeopardize the coronal seal of the root canal space, leading to microleakage and endodontic failure. Orthodontic forced eruption demands application of force to an attachment connected to the remaining short clinical crown. In this article, the authors describe a case in which they used a new technique for orthodontic forced eruption of a traumatized tooth, using an extracanal attachment to apply extrusion force, and discuss its possible advantages and limitations. An extracanal attachment approach for orthodontic forced eruption without compromising the obturated canal space can be a solution for posttraumatic crown fracture. Practical Implications. The described procedure for forced eruption by using an extracanal pin attachment is efficient and convenient and does not require the clinician to apply force directly to the provisional crown. Therefore, during the application of force, there is less risk of loosening the provisional crown, and the canal space is kept intact with either the final restoration or dressing material.

Displacement-dispersive liquid-liquid microextraction based on solidification of floating organic drop of trace amounts of palladium in water and road dust samples prior to graphite furnace atomic absorption spectrometry determination.

PubMed

Ghanbarian, Maryam; Afzali, Daryoush; Mostafavi, Ali; Fathirad, Fariba

2013-01-01

A new displacement-dispersive liquid-liquid microextraction method based on the solidification of floating organic drop was developed for separation and preconcentration of Pd(ll) in road dust and aqueous samples. This method involves two steps of dispersive liquid-liquid microextraction based on solidification. In Step 1, Cu ions react with diethyldithiocarbamate (DDTC) to form Cu-DDTC complex, which is extracted by dispersive liquid-liquid microextraction based on a solidification procedure using 1-undecanol (extraction solvent) and ethanol (dispersive solvent). In Step 2, the extracted complex is first dispersed using ethanol in a sample solution containing Pd ions, then a dispersive liquid-liquid microextraction based on a solidification procedure is performed creating an organic drop. In this step, Pd(ll) replaces Cu(ll) from the pre-extracted Cu-DDTC complex and goes into the extraction solvent phase. Finally, the Pd(ll)-containing drop is introduced into a graphite furnace using a microsyringe, and Pd(ll) is determined using atomic absorption spectrometry. Several factors that influence the extraction efficiency of Pd and its subsequent determination, such as extraction and dispersive solvent type and volume, pH of sample solution, centrifugation time, and concentration of DDTC, are optimized.

Ketorolac Administration Attenuates Retinal Ganglion Cell Death After Axonal Injury.

PubMed

Nadal-Nicolás, Francisco M; Rodriguez-Villagra, Esther; Bravo-Osuna, Irene; Sobrado-Calvo, Paloma; Molina-Martínez, Irene; Villegas-Pérez, Maria Paz; Vidal-Sanz, Manuel; Agudo-Barriuso, Marta; Herrero-Vanrell, Rocío

2016-03-01

To assess the neuroprotective effects of ketorolac administration, in solution or delivered from biodegradable microspheres, on the survival of axotomized retinal ganglion cells (RGCs). Retinas were treated intravitreally with a single injection of tromethamine ketorolac solution and/or with ketorolac-loaded poly(D,L-lactide-co-glycolide) (PLGA) microspheres. Ketorolac treatments were administered either 1 week before optic nerve crush (pre-ONC) or right after the ONC (simultaneous). In all cases, animals were euthanized 7 days after the ONC. As control, nonloaded microspheres or vehicle (balanced salt solution, BSS) were administered in parallel groups. All retinas were dissected as flat mounts; RGCs were immunodetected with brain-specific homeobox/POU domain protein 3A (Brn3a), and their number was automatically quantified. The percentage of Brn3a+RGCs was 36% to 41% in all control groups (ONC with or without BSS or nonloaded microparticles). Ketorolac solution administered pre-ONC resulted in 63% survival of RGCs, while simultaneous administration promoted a 53% survival. Ketorolac-loaded microspheres were not as efficient as ketorolac solution (43% and 42% of RGC survival pre-ONC or simultaneous, respectively). The combination of ketorolac solution and ketorolac-loaded microspheres did not have an additive effect (54% and 55% survival pre-ONC and simultaneous delivery, respectively). Treatment with the nonsteroidal anti-inflammatory drug ketorolac delays RGC death triggered by a traumatic axonal insult. Pretreatment seems to elicit a better output than simultaneous administration of ketorolac solution. This may be taken into account when performing procedures resulting in RGC axonal injury.

A computational procedure for large rotational motions in multibody dynamics

NASA Technical Reports Server (NTRS)

Park, K. C.; Chiou, J. C.

1987-01-01

A computational procedure suitable for the solution of equations of motion for multibody systems is presented. The present procedure adopts a differential partitioning of the translational motions and the rotational motions. The translational equations of motion are then treated by either a conventional explicit or an implicit direct integration method. A principle feature of this procedure is a nonlinearly implicit algorithm for updating rotations via the Euler four-parameter representation. This procedure is applied to the rolling of a sphere through a specific trajectory, which shows that it yields robust solutions.

PLUM: Parallel Load Balancing for Unstructured Adaptive Meshes. Degree awarded by Colorado Univ.

NASA Technical Reports Server (NTRS)

Oliker, Leonid

1998-01-01

Dynamic mesh adaption on unstructured grids is a powerful tool for computing large-scale problems that require grid modifications to efficiently resolve solution features. By locally refining and coarsening the mesh to capture physical phenomena of interest, such procedures make standard computational methods more cost effective. Unfortunately, an efficient parallel implementation of these adaptive methods is rather difficult to achieve, primarily due to the load imbalance created by the dynamically-changing nonuniform grid. This requires significant communication at runtime, leading to idle processors and adversely affecting the total execution time. Nonetheless, it is generally thought that unstructured adaptive- grid techniques will constitute a significant fraction of future high-performance supercomputing. Various dynamic load balancing methods have been reported to date; however, most of them either lack a global view of loads across processors or do not apply their techniques to realistic large-scale applications.

Maximum margin multiple instance clustering with applications to image and text clustering.

PubMed

Zhang, Dan; Wang, Fei; Si, Luo; Li, Tao

2011-05-01

In multiple instance learning problems, patterns are often given as bags and each bag consists of some instances. Most of existing research in the area focuses on multiple instance classification and multiple instance regression, while very limited work has been conducted for multiple instance clustering (MIC). This paper formulates a novel framework, maximum margin multiple instance clustering (M(3)IC), for MIC. However, it is impractical to directly solve the optimization problem of M(3)IC. Therefore, M(3)IC is relaxed in this paper to enable an efficient optimization solution with a combination of the constrained concave-convex procedure and the cutting plane method. Furthermore, this paper presents some important properties of the proposed method and discusses the relationship between the proposed method and some other related ones. An extensive set of empirical results are shown to demonstrate the advantages of the proposed method against existing research for both effectiveness and efficiency.

A numerical formulation and algorithm for limit and shakedown analysis of large-scale elastoplastic structures

NASA Astrophysics Data System (ADS)

Peng, Heng; Liu, Yinghua; Chen, Haofeng

2018-05-01

In this paper, a novel direct method called the stress compensation method (SCM) is proposed for limit and shakedown analysis of large-scale elastoplastic structures. Without needing to solve the specific mathematical programming problem, the SCM is a two-level iterative procedure based on a sequence of linear elastic finite element solutions where the global stiffness matrix is decomposed only once. In the inner loop, the static admissible residual stress field for shakedown analysis is constructed. In the outer loop, a series of decreasing load multipliers are updated to approach to the shakedown limit multiplier by using an efficient and robust iteration control technique, where the static shakedown theorem is adopted. Three numerical examples up to about 140,000 finite element nodes confirm the applicability and efficiency of this method for two-dimensional and three-dimensional elastoplastic structures, with detailed discussions on the convergence and the accuracy of the proposed algorithm.

DC discharges in atmospheric air for bio-decontamination - spectroscopic methods for mechanism identification

NASA Astrophysics Data System (ADS)

Machala, Z.; Jedlovský, I.; Chládeková, L.; Pongrác, B.; Giertl, D.; Janda, M.; Ikurová, L. Å.; Polčic, P.

2009-08-01

Three types of DC electrical discharges in atmospheric air (streamer corona, transient spark and glow discharge) were tested for bio-decontamination of bacteria and yeasts in water solution, and spores on surfaces. Static vs. flowing treatment of contaminated water were compared, in the latter the flowing water either covered the grounded electrode or passed through the high voltage needle electrode. The bacteria were killed most efficiently in the flowing regime by transient spark. Streamer corona was efficient when the treated medium flew through the active corona region. The spores on plastic foil and paper surfaces were successfully inactivated by negative corona. The microbes were handled and their population evaluated by standard microbiology cultivation procedures. The emission spectroscopy of the discharges and TBARS (thiobarbituric acid reactive substances) absorption spectrometric detection of the products of lipid peroxidation of bacterial cell membranes indicated a major role of radicals and reactive oxygen species among the bio-decontamination mechanisms.

Computational efficient unsupervised coastline detection from single-polarization 1-look SAR images of complex coastal environments

NASA Astrophysics Data System (ADS)

Garzelli, Andrea; Zoppetti, Claudia; Pinelli, Gianpaolo

2017-10-01

Coastline detection in synthetic aperture radar (SAR) images is crucial in many application fields, from coastal erosion monitoring to navigation, from damage assessment to security planning for port facilities. The backscattering difference between land and sea is not always documented in SAR imagery, due to the severe speckle noise, especially in 1-look data with high spatial resolution, high sea state, or complex coastal environments. This paper presents an unsupervised, computationally efficient solution to extract the coastline acquired by only one single-polarization 1-look SAR image. Extensive tests on Spotlight COSMO-SkyMed images of complex coastal environments and objective assessment demonstrate the validity of the proposed procedure which is compared to state-of-the-art methods through visual results and with an objective evaluation of the distance between the detected and the true coastline provided by regional authorities.

Thermally Activated Delayed Fluorescence in Polymers: A New Route toward Highly Efficient Solution Processable OLEDs.

PubMed

Nikolaenko, Andrey E; Cass, Michael; Bourcet, Florence; Mohamad, David; Roberts, Matthew

2015-11-25

Efficient intermonomer thermally activated delayed fluorescence is demonstrated for the first time, opening a new route to achieving high-efficiency solution processable polymer light-emitting device materials. External quantum efficiency (EQE) of up to 10% is achieved in a simple fully solution-processed device structure, and routes for further EQE improvement identified. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.

PubMed

Yang, Mingjun; Huang, Jing; MacKerell, Alexander D

2015-06-09

Replica exchange (REX) is a powerful computational tool for overcoming the quasi-ergodic sampling problem of complex molecular systems. Recently, several multidimensional extensions of this method have been developed to realize exchanges in both temperature and biasing potential space or the use of multiple biasing potentials to improve sampling efficiency. However, increased computational cost due to the multidimensionality of exchanges becomes challenging for use on complex systems under explicit solvent conditions. In this study, we develop a one-dimensional (1D) REX algorithm to concurrently combine the advantages of overall enhanced sampling from Hamiltonian solute scaling and the specific enhancement of collective variables using Hamiltonian biasing potentials. In the present Hamiltonian replica exchange method, termed HREST-BP, Hamiltonian solute scaling is applied to the solute subsystem, and its interactions with the environment to enhance overall conformational transitions and biasing potentials are added along selected collective variables associated with specific conformational transitions, thereby balancing the sampling of different hierarchical degrees of freedom. The two enhanced sampling approaches are implemented concurrently allowing for the use of a small number of replicas (e.g., 6 to 8) in 1D, thus greatly reducing the computational cost in complex system simulations. The present method is applied to conformational sampling of two nitrogen-linked glycans (N-glycans) found on the HIV gp120 envelope protein. Considering the general importance of the conformational sampling problem, HREST-BP represents an efficient procedure for the study of complex saccharides, and, more generally, the method is anticipated to be of general utility for the conformational sampling in a wide range of macromolecular systems.

6.7 radio sky mapping from satellites at very low frequencies

NASA Technical Reports Server (NTRS)

Storey, L. R. O.

1991-01-01

Wave Distribution Function (WDF) analysis is a procedure for making sky maps of the sources of natural electromagnetic waves in space plasmas, given local measurements of some or all of the three magnetic and three electric field components. The work that still needs to be done on this subject includes solving basic methodological problems, translating the solution into efficient algorithms, and embodying the algorithms in computer software. One important scientific use of WDF analysis is to identify the mode of origin of plasmaspheric hiss. Some of the data from the Japanese satellite Akebono (EXOS D) are likely to be suitable for this purpose.

Radio sky mapping from satellites at very low frequencies

NASA Technical Reports Server (NTRS)

Storey, L. R. O.

1991-01-01

Wave Distribution Function (WDF) analysis is a procedure for making sky maps of the sources of natural electromagnetic waves in space plasmas, given local measurements of some or all of the three magnetic and three electric field components. The work that still needs to be done on this subject includes solving basic methodological problems, translating the solution into efficient algorithms, and embodying the algorithms in computer software. One important scientific use of WDF analysis is to identify the mode of origin of plasmaspheric hiss. Some of the data from the Japanese satellite Akebono (EXOS D) are likely to be suitable for this purpose.

Shock-free configurations in two-and three-dimensional transonic flow

NASA Technical Reports Server (NTRS)

Seebass, A. R.

1981-01-01

Efforts to replace Sobieczky's complicated analog computations of solutions to the hodograph equations by a fast elliptic solver in order to generate shock-free airfoil designs more effectively are described. The indirect design of airfoil and wing shapes that are free from shock waves even though the local flow velocity exceeds the speed of sound is described. The problem of finding an airfoil in two dimensional, irrotational flow that has a prescribed pressure distribution is as addressed. Sobieczky's suggestion to use a fictitious gas for finding shock-free airfoils directly in the physical plane was the basis for a more efficient procedure for achieving the same end.

Topology optimization of a gas-turbine engine part

NASA Astrophysics Data System (ADS)

Faskhutdinov, R. N.; Dubrovskaya, A. S.; Dongauzer, K. A.; Maksimov, P. V.; Trufanov, N. A.

2017-02-01

One of the key goals of aerospace industry is a reduction of the gas turbine engine weight. The solution of this task consists in the design of gas turbine engine components with reduced weight retaining their functional capabilities. Topology optimization of the part geometry leads to an efficient weight reduction. A complex geometry can be achieved in a single operation with the Selective Laser Melting technology. It should be noted that the complexity of structural features design does not affect the product cost in this case. Let us consider a step-by-step procedure of topology optimization by an example of a gas turbine engine part.

Development of programs for computing characteristics of ultraviolet radiation

NASA Technical Reports Server (NTRS)

Dave, J. V.

1972-01-01

Efficient programs were developed for computing all four characteristics of the radiation scattered by a plane-parallel, turbid, terrestrial atmospheric model. They were developed (FORTRAN 4) and tested on the IBM /360 computers with 2314 direct access storage facility. The storage requirement varies between 200K and 750K bytes depending upon the task. The scattering phase matrix (or function) is expanded in a Fourier series whose number of terms depend upon the zenith angles of the incident and scattered radiations, as well as on the nature of aerosols. A Gauss-Seidel procedure is used for obtaining the numerical solution of the transfer equation.

An edge-based solution-adaptive method applied to the AIRPLANE code

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Thomas, Scott D.; Cliff, Susan E.

1995-01-01

Computational methods to solve large-scale realistic problems in fluid flow can be made more efficient and cost effective by using them in conjunction with dynamic mesh adaption procedures that perform simultaneous coarsening and refinement to capture flow features of interest. This work couples the tetrahedral mesh adaption scheme, 3D_TAG, with the AIRPLANE code to solve complete aircraft configuration problems in transonic and supersonic flow regimes. Results indicate that the near-field sonic boom pressure signature of a cone-cylinder is improved, the oblique and normal shocks are better resolved on a transonic wing, and the bow shock ahead of an unstarted inlet is better defined.

Genetic Local Search for Optimum Multiuser Detection Problem in DS-CDMA Systems

NASA Astrophysics Data System (ADS)

Wang, Shaowei; Ji, Xiaoyong

Optimum multiuser detection (OMD) in direct-sequence code-division multiple access (DS-CDMA) systems is an NP-complete problem. In this paper, we present a genetic local search algorithm, which consists of an evolution strategy framework and a local improvement procedure. The evolution strategy searches the space of feasible, locally optimal solutions only. A fast iterated local search algorithm, which employs the proprietary characteristics of the OMD problem, produces local optima with great efficiency. Computer simulations show the bit error rate (BER) performance of the GLS outperforms other multiuser detectors in all cases discussed. The computation time is polynomial complexity in the number of users.

The multi-mode polarization modulation spectrometer: part 1: simultaneous detection of absorption, turbidity, and optical activity.

PubMed

Arvinte, Tudor; Bui, Tam T T; Dahab, Ali A; Demeule, Barthélemy; Drake, Alex F; Elhag, Dhia; King, Peter

2004-09-01

Circular dichroism (CD) is an important spectroscopic technique for monitoring chirality and biological macromolecule conformation. However, during a CD measurement, absorbance, light scattering/turbidity, and fluorescence can also be detected. The simultaneous measurement of these different spectral features for a single sample is the basis of a multi-mode optical spectrometer. This allows time-efficient gathering of complementary information and provides a scheme to ensure that CD measurements are reliable. Aspects of circular polarization differential light scattering, pH, and temperature variation of a protein (antibody) solution are described. A procedure to help ensure that CD measurements are reliable is described.

A new method for separating first row transition metals and actinides from synthetic melt glass

DOE PAGES

Roman, Audrey Rae; Bond, Evelyn M.

2016-01-14

A new method was developed for separating Co, Fe, and Sc from complex debris matrices using the extraction chromatography resin DGA. The activation products Co-58, Mn-54, and Sc-46 were used to characterize the separation of the synthetic melt glass solutions. In the separation scheme that was developed, Au, Co, Cu, Fe, Sc, and Ti were separated from the rest of the sample constituents. In this paper, the synthetic melt glass separation method, efficiency, recoveries, and the length of procedure will be discussed. In conclusion, batch contact adsorption studies for Na and Sc for DGA resin are discussed as well.

Hybrid-finite-element analysis of some nonlinear and 3-dimensional problems of engineering fracture mechanics

NASA Technical Reports Server (NTRS)

Atluri, S. N.; Nakagaki, M.; Kathiresan, K.

1980-01-01

In this paper, efficient numerical methods for the analysis of crack-closure effects on fatigue-crack-growth-rates, in plane stress situations, and for the solution of stress-intensity factors for arbitrary shaped surface flaws in pressure vessels, are presented. For the former problem, an elastic-plastic finite element procedure valid for the case of finite deformation gradients is developed and crack growth is simulated by the translation of near-crack-tip elements with embedded plastic singularities. For the latter problem, an embedded-elastic-singularity hybrid finite element method, which leads to a direct evaluation of K-factors, is employed.

An iterative transformation procedure for numerical solution of flutter and similar characteristics-value problems

NASA Technical Reports Server (NTRS)

Gossard, Myron L

1952-01-01

An iterative transformation procedure suggested by H. Wielandt for numerical solution of flutter and similar characteristic-value problems is presented. Application of this procedure to ordinary natural-vibration problems and to flutter problems is shown by numerical examples. Comparisons of computed results with experimental values and with results obtained by other methods of analysis are made.

Plasmonic photocatalysts based on silver nanoparticles - layered double hydroxides for efficient removal of toxic compounds using solar light

NASA Astrophysics Data System (ADS)

Gilea, Diana; Radu, Teodora; Muresanu, Mihaela; Carja, Gabriela

2018-06-01

Plasmon-enhanced photocatalysis holds important promise for chemical processes and outcomes. We present here the self-assemblies of silver nanoparticles (AgNP)/layered double hydroxides (LDHs: MeAlLDHs with Me2+ = Zn2+;Mg2+) and their derived AgNP/MMOs (type AgNP/MgAl2O4; AgNP/ZnO/ZnAl2O4) as novel plasmonic photocatalysts exhibiting activity for phenol photodegradation from aqueous solution by solar-light. The fabrication procedure of AgNP/LDHs assemblies is simple and cost effective and is based on the in-situ synthesis of AgNP on the LDHs matrices during the reconstruction of MgAlLDH and ZnAlLDH in the aqueous solution of Ag2SO4. The tested catalysts were thoroughly investigated - techniques to obtain information on their crystalline structure (XRD), surface properties (XPS), morphological features (TEM) and optical properties (UV-vis). The results show that the solar photocatalytic response of the catalysts is ascribed to the plasmonic response of AgNP though the catalytic efficiency is strongly influenced by the composition of the MeAlLDHs. The best photocatalytic performance was obtained on AgNP/ZnAlLDH750 catalyst that degraded 100% of phenol after 80 min of irradiation with solar light. The results reveal the high potential to tailor AgNP/LDHs and AgNP/MMOs as efficient photo-functional plasmonic hybrids for waste-water cleaning.

Analysis of simulated angiographic procedures. Part 2: extracting efficiency data from audio and video recordings.

PubMed

Duncan, James R; Kline, Benjamin; Glaiberman, Craig B

2007-04-01

To create and test methods of extracting efficiency data from recordings of simulated renal stent procedures. Task analysis was performed and used to design a standardized testing protocol. Five experienced angiographers then performed 16 renal stent simulations using the Simbionix AngioMentor angiographic simulator. Audio and video recordings of these simulations were captured from multiple vantage points. The recordings were synchronized and compiled. A series of efficiency metrics (procedure time, contrast volume, and tool use) were then extracted from the recordings. The intraobserver and interobserver variability of these individual metrics was also assessed. The metrics were converted to costs and aggregated to determine the fixed and variable costs of a procedure segment or the entire procedure. Task analysis and pilot testing led to a standardized testing protocol suitable for performance assessment. Task analysis also identified seven checkpoints that divided the renal stent simulations into six segments. Efficiency metrics for these different segments were extracted from the recordings and showed excellent intra- and interobserver correlations. Analysis of the individual and aggregated efficiency metrics demonstrated large differences between segments as well as between different angiographers. These differences persisted when efficiency was expressed as either total or variable costs. Task analysis facilitated both protocol development and data analysis. Efficiency metrics were readily extracted from recordings of simulated procedures. Aggregating the metrics and dividing the procedure into segments revealed potential insights that could be easily overlooked because the simulator currently does not attempt to aggregate the metrics and only provides data derived from the entire procedure. The data indicate that analysis of simulated angiographic procedures will be a powerful method of assessing performance in interventional radiology.

Broadcasting satellite service synthesis using gradient and cyclic coordinate search procedures

NASA Technical Reports Server (NTRS)

Reilly, C. H.; Mount-Campbell, C. A.; Gonsalvez, D. J.; Martin, C. H.; Levis, C. A.; Wang, C. W.

1986-01-01

Two search techniques are considered for solving satellite synthesis problems. Neither is likely to find a globally optimal solution. In order to determine which method performs better and what factors affect their performance, we design an experiment and solve the same problem under a variety of starting solution configuration-algorithm combinations. Since there is no randomization in the experiment, we present results of practical, rather than statistical, significance. Our implementation of a cyclic coordinate search procedure clearly finds better synthesis solutions than our implementation of a gradient search procedure does with our objective of maximizing the minimum C/I ratio computed at test points on the perimeters of the intended service areas. The length of the available orbital arc and the configuration of the starting solution are shown to affect the quality of the solutions found.

Broadcasting satellite service synthesis using gradient and cyclic coordinate search procedures

NASA Technical Reports Server (NTRS)

Reilly, C. H.; Mount-Campbell, C. A.; Gonsalvez, D. J.; Martin, C. H.; Levis, C. A.

1986-01-01

Two search techniques are considered for solving satellite synthesis problems. Neither is likely to find a globally optimal solution. In order to determine which method performs better and what factors affect their performance, an experiment is designed and the same problem is solved under a variety of starting solution configuration-algorithm combinations. Since there is no randomization in the experiment, results of practical, rather than statistical, significance are presented. Implementation of a cyclic coordinate search procedure clearly finds better synthesis solutions than implementation of a gradient search procedure does with the objective of maximizing the minimum C/I ratio computed at test points on the perimeters of the intended service areas. The length of the available orbital arc and the configuration of the starting solution are shown to affect the quality of the solutions found.

Functional test of pedotransfer functions to predict water flow and solute transport with the dual-permeability model MACRO

NASA Astrophysics Data System (ADS)

Moeys, J.; Larsbo, M.; Bergström, L.; Brown, C. D.; Coquet, Y.; Jarvis, N. J.

2012-07-01

Estimating pesticide leaching risks at the regional scale requires the ability to completely parameterise a pesticide fate model using only survey data, such as soil and land-use maps. Such parameterisations usually rely on a set of lookup tables and (pedo)transfer functions, relating elementary soil and site properties to model parameters. The aim of this paper is to describe and test a complete set of parameter estimation algorithms developed for the pesticide fate model MACRO, which accounts for preferential flow in soil macropores. We used tracer monitoring data from 16 lysimeter studies, carried out in three European countries, to evaluate the ability of MACRO and this "blind parameterisation" scheme to reproduce measured solute leaching at the base of each lysimeter. We focused on the prediction of early tracer breakthrough due to preferential flow, because this is critical for pesticide leaching. We then calibrated a selected number of parameters in order to assess to what extent the prediction of water and solute leaching could be improved. Our results show that water flow was generally reasonably well predicted (median model efficiency, ME, of 0.42). Although the general pattern of solute leaching was reproduced well by the model, the overall model efficiency was low (median ME = -0.26) due to errors in the timing and magnitude of some peaks. Preferential solute leaching at early pore volumes was also systematically underestimated. Nonetheless, the ranking of soils according to solute loads at early pore volumes was reasonably well estimated (concordance correlation coefficient, CCC, between 0.54 and 0.72). Moreover, we also found that ignoring macropore flow leads to a significant deterioration in the ability of the model to reproduce the observed leaching pattern, and especially the early breakthrough in some soils. Finally, the calibration procedure showed that improving the estimation of solute transport parameters is probably more important than the estimation of water flow parameters. Overall, the results are encouraging for the use of this modelling set-up to estimate pesticide leaching risks at the regional-scale, especially where the objective is to identify vulnerable soils and "source" areas of contamination.

MODIFIED REVERSE OSMOSIS SYSTEM FOR TREATMENT OF PRODUCED WATERS

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

T.M. Whitworth; Liangxiong Li

2002-09-15

This report describes work performed during the second year of the project ''Modified reverse osmosis system for treatment of produced waters.'' We performed two series of reverse osmosis experiments using very thin bentonite clay membranes compacted to differing degrees. The first series of 10 experiments used NaCl solutions with membranes that ranged between 0.041 and 0.064mm in thickness. Our results showed compaction of such ultra-thin clay membranes to be problematic. The thickness of the membranes was exceeded by the dimensional variation in the machined experimental cell and this is believed to have resulted in local bypassing of the membrane withmore » a resultant decrease in solute rejection efficiency. In two of the experiments, permeate flow was varied as a percentage of the total flow to investigate results of changing permeate flow on solute rejection. In one experiment, the permeate flow was varied between 2.4 and 10.3% of the total flow with no change in solute rejection. In another experiment, the permeate flow was varied between 24.6 and 52.5% of the total flow. In this experiment, the solute rejection rate decreased as the permeate occupied greater fractions of the total flow. This suggests a maximum solute rejection efficiency for these clay membranes for a permeate flow of between 10.3 and 24.6% of the total; flow. Solute rejection was found to decrease with increasing salt concentration and ranged between 62.9% and 19.7% for chloride and between 61.5 and 16.8% for sodium. Due to problems with the compaction procedure and potential membrane bypassing, these rejection rates are probably not the upper limit for NaCl rejection by bentonite membranes. The second series of four reverse osmosis experiments was conducted with a 0.057mm-thick bentonite membrane and dilutions of a produced water sample with an original TDS of 196,250 mg/l obtained from a facility near Loco Hill, New Mexico, operated by an independent. These experiments tested the separation efficiency of the bentonite membrane for each of the dilutions. We found that membrane efficiency decreased with increasing solute concentration and with increasing TDS. The rejection of SO{sub 4}{sup 2-} was greater than Cl{sup -}. This may be because the SO{sub 4}{sup 2-} concentration was much lower than the Cl{sup -} concentration in the waters tested. The cation rejection sequence varied with solute concentration and TDS. The solute rejection sequence for multi-component solutions is difficult to predict for synthetic membranes; it may not be simple for clay membranes either. The permeate flows in our experiments were 4.1 to 5.4% of the total flow. This suggests that very thin clay membranes may be useful for some separations. Work on development of a spiral-wound clay membrane module found that it is difficult to maintain compaction of the membrane if the membrane is rolled and then inserted in the outer tube. A different design was tried using a cylindrical clay membrane and this also proved difficult to assemble with adequate membrane compaction. The next step is to form the membrane in place using hydraulic pressure on a thin slurry of clay in either water or a nonpolar organic solvent such as ethanol. Technology transfer efforts included four manuscripts submitted to peer-reviewed journals, two abstracts, and chairing a session on clays as membranes at the Clay Minerals Society annual meeting.« less

Potentials of mean force for biomolecular simulations: Theory and test on alanine dipeptide

NASA Astrophysics Data System (ADS)

Pellegrini, Matteo; Grønbech-Jensen, Niels; Doniach, Sebastian

1996-06-01

We describe a technique for generating potentials of mean force (PMF) between solutes in an aqueous solution. We first generate solute-solvent correlation functions (CF) using Monte Carlo (MC) simulations in which we place a single atom solute in a periodic boundary box containing a few hundred water molecules. We then make use of the Kirkwood superposition approximation, where the 3-body correlation function is approximated as the product of 2-body CFs, to describe the mean water density around two solutes. Computing the force generated on the solutes by this average water density allows us to compute potentials of mean force between the two solutes. For charged solutes an additional approximation involving dielectric screening is made, by setting the dielectric constant of water to ɛ=80. These potentials account, in an approximate manner, for the average effect of water on the atoms. Following the work of Pettitt and Karplus [Chem. Phys. Lett. 121, 194 (1985)], we approximate the n-body potential of mean force as a sum of the pairwise potentials of mean force. This allows us to run simulations of biomolecules without introducing explicit water, hence gaining several orders of magnitude in efficiency with respect to standard molecular dynamics techniques. We demonstrate the validity of this technique by first comparing the PMFs for methane-methane and sodium-chloride generated with this procedure, with those calculated with a standard Monte Carlo simulation with explicit water. We then compare the results of the free energy profiles between the equilibria of alanine dipeptide generated by the two methods.

Inter-view prediction of intra mode decision for high-efficiency video coding-based multiview video coding

NASA Astrophysics Data System (ADS)

da Silva, Thaísa Leal; Agostini, Luciano Volcan; da Silva Cruz, Luis A.

2014-05-01

Intra prediction is a very important tool in current video coding standards. High-efficiency video coding (HEVC) intra prediction presents relevant gains in encoding efficiency when compared to previous standards, but with a very important increase in the computational complexity since 33 directional angular modes must be evaluated. Motivated by this high complexity, this article presents a complexity reduction algorithm developed to reduce the HEVC intra mode decision complexity targeting multiview videos. The proposed algorithm presents an efficient fast intra prediction compliant with singleview and multiview video encoding. This fast solution defines a reduced subset of intra directions according to the video texture and it exploits the relationship between prediction units (PUs) of neighbor depth levels of the coding tree. This fast intra coding procedure is used to develop an inter-view prediction method, which exploits the relationship between the intra mode directions of adjacent views to further accelerate the intra prediction process in multiview video encoding applications. When compared to HEVC simulcast, our method achieves a complexity reduction of up to 47.77%, at the cost of an average BD-PSNR loss of 0.08 dB.

Enhanced Electron Injection and Exciton Confinement for Pure Blue Quantum-Dot Light-Emitting Diodes by Introducing Partially Oxidized Aluminum Cathode.

PubMed

Wang, Zhibin; Cheng, Tai; Wang, Fuzhi; Bai, Yiming; Bian, Xingming; Zhang, Bing; Hayat, Tasawar; Alsaedi, Ahmed; Tan, Zhan'ao

2018-05-31

Stable and efficient red (R), green (G), and blue (B) light sources based on solution-processed quantum dots (QDs) play important roles in next-generation displays and solid-state lighting technologies. The brightness and efficiency of blue QDs-based light-emitting diodes (LEDs) remain inferior to their red and green counterparts, due to the inherently unfavorable energy levels of different colors of light. To solve these problems, a device structure should be designed to balance the injection holes and electrons into the emissive QD layer. Herein, through a simple autoxidation strategy, pure blue QD-LEDs which are highly bright and efficient are demonstrated, with a structure of ITO/PEDOT:PSS/Poly-TPD/QDs/Al:Al2O3. The autoxidized Al:Al2O3 cathode can effectively balance the injected charges and enhance radiative recombination without introducing an additional electron transport layer (ETL). As a result, high color-saturated blue QD-LEDs are achieved with a maximum luminance over 13,000 cd m -2 , and a maximum current efficiency of 1.15 cd A -1 . The easily controlled autoxidation procedure paves the way for achieving high-performance blue QD-LEDs.

Solution of elliptic partial differential equations by fast Poisson solvers using a local relaxation factor. 2: Two-step method

NASA Technical Reports Server (NTRS)

Chang, S. C.

1986-01-01

A two-step semidirect procedure is developed to accelerate the one-step procedure described in NASA TP-2529. For a set of constant coefficient model problems, the acceleration factor increases from 1 to 2 as the one-step procedure convergence rate decreases from + infinity to 0. It is also shown numerically that the two-step procedure can substantially accelerate the convergence of the numerical solution of many partial differential equations (PDE's) with variable coefficients.

Transition between free-space Helmholtz equation solutions with plane sources and parabolic wave equation solutions.

PubMed

Mahillo-Isla, R; Gonźalez-Morales, M J; Dehesa-Martínez, C

2011-06-01

The slowly varying envelope approximation is applied to the radiation problems of the Helmholtz equation with a planar single-layer and dipolar sources. The analyses of such problems provide procedures to recover solutions of the Helmholtz equation based on the evaluation of solutions of the parabolic wave equation at a given plane. Furthermore, the conditions that must be fulfilled to apply each procedure are also discussed. The relations to previous work are given as well.

Non-linear Multidimensional Optimization for use in Wire Scanner Fitting

NASA Astrophysics Data System (ADS)

Henderson, Alyssa; Terzic, Balsa; Hofler, Alicia; Center Advanced Studies of Accelerators Collaboration

2014-03-01

To ensure experiment efficiency and quality from the Continuous Electron Beam Accelerator at Jefferson Lab, beam energy, size, and position must be measured. Wire scanners are devices inserted into the beamline to produce measurements which are used to obtain beam properties. Extracting physical information from the wire scanner measurements begins by fitting Gaussian curves to the data. This study focuses on optimizing and automating this curve-fitting procedure. We use a hybrid approach combining the efficiency of Newton Conjugate Gradient (NCG) method with the global convergence of three nature-inspired (NI) optimization approaches: genetic algorithm, differential evolution, and particle-swarm. In this Python-implemented approach, augmenting the locally-convergent NCG with one of the globally-convergent methods ensures the quality, robustness, and automation of curve-fitting. After comparing the methods, we establish that given an initial data-derived guess, each finds a solution with the same chi-square- a measurement of the agreement of the fit to the data. NCG is the fastest method, so it is the first to attempt data-fitting. The curve-fitting procedure escalates to one of the globally-convergent NI methods only if NCG fails, thereby ensuring a successful fit. This method allows for the most optimal signal fit and can be easily applied to similar problems.

Investigation of a Parabolic Iterative Solver for Three-dimensional Configurations

NASA Technical Reports Server (NTRS)

Nark, Douglas M.; Watson, Willie R.; Mani, Ramani

2007-01-01

A parabolic iterative solution procedure is investigated that seeks to extend the parabolic approximation used within the internal propagation module of the duct noise propagation and radiation code CDUCT-LaRC. The governing convected Helmholtz equation is split into a set of coupled equations governing propagation in the positive and negative directions. The proposed method utilizes an iterative procedure to solve the coupled equations in an attempt to account for possible reflections from internal bifurcations, impedance discontinuities, and duct terminations. A geometry consistent with the NASA Langley Curved Duct Test Rig is considered and the effects of acoustic treatment and non-anechoic termination are included. Two numerical implementations are studied and preliminary results indicate that improved accuracy in predicted amplitude and phase can be obtained for modes at a cut-off ratio of 1.7. Further predictions for modes at a cut-off ratio of 1.1 show improvement in predicted phase at the expense of increased amplitude error. Possible methods of improvement are suggested based on analytic and numerical analysis. It is hoped that coupling the parabolic iterative approach with less efficient, high fidelity finite element approaches will ultimately provide the capability to perform efficient, higher fidelity acoustic calculations within complex 3-D geometries for impedance eduction and noise propagation and radiation predictions.

High-performance liquid chromatography - Ultraviolet method for the determination of total specific migration of nine ultraviolet absorbers in food simulants based on 1,1,3,3-Tetramethylguanidine and organic phase anion exchange solid phase extraction to remove glyceride.

PubMed

Wang, Jianling; Xiao, Xiaofeng; Chen, Tong; Liu, Tingfei; Tao, Huaming; He, Jun

2016-06-17

The glyceride in oil food simulant usually causes serious interferences to target analytes and leads to failure of the normal function of the RP-HPLC column. In this work, a convenient HPLC-UV method for the determination of the total specific migration of nine ultraviolet (UV) absorbers in food simulants was developed based on 1,1,3,3-tetramethylguanidine (TMG) and organic phase anion exchange (OPAE) SPE to efficiently remove glyceride in olive oil simulant. In contrast to the normal ion exchange carried out in an aqueous solution or aqueous phase environment, the OPAE SPE was performed in the organic phase environments, and the time-consuming and challenging extraction of the nine UV absorbers from vegetable oil with aqueous solution could be readily omitted. The method was proved to have good linearity (r≥0.99992), precision (intra-day RSD≤3.3%), and accuracy(91.0%≤recoveries≤107%); furthermore, the lower limit of quantifications (0.05-0.2mg/kg) in five types of food simulants(10% ethanol, 3% acetic acid, 20% ethanol, 50% ethanol and olive oil) was observed. The method was found to be well suited for quantitative determination of the total specific migration of the nine UV absorbers both in aqueous and vegetable oil simulant according to Commission Regulation (EU) No. 10/2011. Migration levels of the nine UV absorbers were determined in 31 plastic samples, and UV-24, UV-531, HHBP and UV-326 were frequently detected, especially in olive oil simulant for UV-326 in PE samples. In addition, the OPAE SPE procedure was also been applied to efficiently enrich or purify seven antioxidants in olive oil simulant. Results indicate that this procedure will have more extensive applications in the enriching or purification of the extremely weak acidic compounds with phenol hydroxyl group that are relatively stable in TMG n-hexane solution and that can be barely extracted from vegetable oil. Copyright © 2016 Elsevier B.V. All rights reserved.

Molecular solution processing of metal chalcogenide thin film solar cells

NASA Astrophysics Data System (ADS)

Yang, Wenbing

The barrier to utilize solar generated electricity mainly comes from their higher cost relative to fossil fuels. However, innovations with new materials and processing techniques can potentially make cost effective photovoltaics. One such strategy is to develop solution processed photovoltaics which avoid the expensive vacuum processing required by traditional solar cells. The dissertation is mainly focused on two absorber material system for thin film solar cells: chalcopyrite CuIn(S,Se)2 (CISS) and kesterite Cu2ZnSn(S,Se) 4 organized in chronological order. Chalcopyrite CISS is a very promising material. It has been demonstrated to achieve the highest efficiency among thin film solar cells. Scaled-up industry production at present has reached the giga-watt per year level. The process however mainly relies on vacuum systems which account for a significant percentage of the manufacturing cost. In the first section of this dissertation, hydrazine based solution processed CISS has been explored. The focus of the research involves the procedures to fabricate devices from solution. The topics covered in Chapter 2 include: precursor solution synthesis with a focus on understanding the solution chemistry, CISS absorber formation from precursor, properties modification toward favorable device performance, and device structure innovation toward tandem device. For photovoltaics to have a significant impact toward meeting energy demands, the annual production capability needs to be on TW-level. On such a level, raw materials supply of rare elements (indium for CIS or tellurium for CdTe) will be the bottleneck limiting the scalability. Replacing indium with zinc and tin, earth abundant kesterite CZTS exhibits great potential to reach the goal of TW-level with no limitations on raw material availability. Chapter 3 shows pioneering work towards solution processing of CZTS film at low temperature. The solution processed devices show performances which rival vacuum-based techniques and is partially attributed to the ease in controlling composition and CZTS phase through this technique. Based on this platform, comprehensive characterization on CZTS devices is carried out including solar cells and transistors. Especially defects properties are exploited in Chapter 4 targeting to identify the limiting factors for further improvement on CZTS solar cells efficiency. Finally, molecular structures and precursor solution stability have been explored, potentially to provide a universal approach to process multinary compounds.

Comparison between two meshless methods based on collocation technique for the numerical solution of four-species tumor growth model

NASA Astrophysics Data System (ADS)

Dehghan, Mehdi; Mohammadi, Vahid

2017-03-01

As is said in [27], the tumor-growth model is the incorporation of nutrient within the mixture as opposed to being modeled with an auxiliary reaction-diffusion equation. The formulation involves systems of highly nonlinear partial differential equations of surface effects through diffuse-interface models [27]. Simulations of this practical model using numerical methods can be applied for evaluating it. The present paper investigates the solution of the tumor growth model with meshless techniques. Meshless methods are applied based on the collocation technique which employ multiquadrics (MQ) radial basis function (RBFs) and generalized moving least squares (GMLS) procedures. The main advantages of these choices come back to the natural behavior of meshless approaches. As well as, a method based on meshless approach can be applied easily for finding the solution of partial differential equations in high-dimension using any distributions of points on regular and irregular domains. The present paper involves a time-dependent system of partial differential equations that describes four-species tumor growth model. To overcome the time variable, two procedures will be used. One of them is a semi-implicit finite difference method based on Crank-Nicolson scheme and another one is based on explicit Runge-Kutta time integration. The first case gives a linear system of algebraic equations which will be solved at each time-step. The second case will be efficient but conditionally stable. The obtained numerical results are reported to confirm the ability of these techniques for solving the two and three-dimensional tumor-growth equations.

[Efficiency of oxidant gas generator cells powered by electric or solar energy].

PubMed

Brust Carmona, H; Benitez, A; Zarco, J; Sánchez, E; Mascher, I

1998-02-01

Diseases caused by microbial contaminants in drinking water continue to be a serious problem in countries like Mexico. Chlorination, using chlorine gas or chlorine compounds, is one of the best ways to treat drinking water. However, difficulties in handling chlorine gas and the inefficiency of hypochlorite solution dosing systems--due to sociopolitical, economic, and cultural factors--have reduced the utility of these chlorination procedures, especially in far-flung and inaccessible rural communities. These problems led to the development of appropriate technologies for the disinfection of water by means of the on-site generation of mixed oxidant gases (chlorine and ozone). This system, called MOGGOD, operates through the electrolysis of a common salt solution. Simulated system evaluation using a hydraulic model allowed partial and total costs to be calculated. When powered by electrical energy from the community power grid, the system had an efficiency of 90%, and in 10 hours it was able to generate enough gases to disinfect about 200 m3 of water at a cost of approximately N$8 (US $1.30). When the electrolytic cell was run on energy supplied through a photoelectric cell, the investment costs were higher. A system fed by photovoltaic cells could be justified in isolated communities that lack electricity but have a gravity-fed water distribution system.

Heat and Bleach: A Cost-Efficient Method for Extracting Microplastics from Return Activated Sludge.

PubMed

Sujathan, Surya; Kniggendorf, Ann-Kathrin; Kumar, Arun; Roth, Bernhard; Rosenwinkel, Karl-Heinz; Nogueira, Regina

2017-11-01

The extraction of plastic microparticles, so-called microplastics, from sludge is a challenging task due to the complex, highly organic material often interspersed with other benign microparticles. The current procedures for microplastic extraction from sludge are time consuming and require expensive reagents for density separation as well as large volumes of oxidizing agents for organic removal, often resulting in tiny sample sizes and thus a disproportional risk of sample bias. In this work, we present an improved extraction method tested on return activated sludge (RAS). The treatment of 100 ml of RAS requires only 6% hydrogen peroxide (H 2 O 2 ) for bleaching at 70 °C, followed by density separation with sodium nitrate/sodium thiosulfate (SNT) solution, and is completed within 24 h. Extracted particles of all sizes were chemically analyzed with confocal Raman microscopy. An extraction efficiency of 78 ± 8% for plastic particle sizes 20 µm and up was confirmed in a recovery experiment. However, glass shards with a diameter of less than 20 µm remained in the sample despite the density of glass exceeding the density of the separating SNT solution by 1.1 g/cm 3 . This indicates that density separation may be unreliable for particle sizes in the lower micrometer range.

Akaganeite decorated graphene oxide composite for arsenic adsorption/removal and its proconcentration at ultra-trace level.

PubMed

Chen, Ming-Li; Sun, Yan; Huo, Chun-Bao; Liu, Chen; Wang, Jian-Hua

2015-07-01

Carboxylic graphene oxide (GO-COOH) is decorated with akaganeite (β-FeOOH) to produce a β-FeOOH@GO-COOH nanocomposite. The nanocomposite acts as an efficient adsorption medium for the uptake of arsenite and arsenate within a wide range of pH 3-10, providing high adsorption capacities of 77.5mgg(-1) for As(III) and 45.7mgg(-1) for As(V), respectively. Adsorption efficiencies of 100% and 97% are achieved for 5 successive operation cycles for the removal of 100μgL(-1) As(V) and As(III) in 5 fresh portions of aqueous solution (1.0mL for each) with 3mg nanocomposite. After 20 successive adsorption cycles, removal efficiency of >80% is still maintained for both arsenate and arsenite. Further, a removal efficiency of >90% is obtained for 1000μgL(-1) As(V) with 3mg β-FeOOH@GO-COOH for 5 successive adsorption cycles, and the presence of 2000-fold SO4(2-), NO3(-), Cl(-) and Mg(2+) pose no interfering effect. β-FeOOH@GO-COOH also provides a promising medium for the preconcentration of ultra-trace inorganic arsenic. 1mg of nanocomposite is used to adsorb 0.1-3.00μgL(-1) As(V) in 4.0mL solution, and the retained arsenate is recovered by 400μL of NaOH (2molL(-1), containing 2.0% NaBH4), followed by detection with atomic fluorescence spectrometry. A detection limit of 29ngL(-1) is obtained for arsenate. This procedure is validated by analyzing arsenic in a certified reference material (GBW 09101b) and further applied for arsenic determination in water samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

A Mathematica program for the approximate analytical solution to a nonlinear undamped Duffing equation by a new approximate approach

NASA Astrophysics Data System (ADS)

Wu, Dongmei; Wang, Zhongcheng

2006-03-01

According to Mickens [R.E. Mickens, Comments on a Generalized Galerkin's method for non-linear oscillators, J. Sound Vib. 118 (1987) 563], the general HB (harmonic balance) method is an approximation to the convergent Fourier series representation of the periodic solution of a nonlinear oscillator and not an approximation to an expansion in terms of a small parameter. Consequently, for a nonlinear undamped Duffing equation with a driving force Bcos(ωx), to find a periodic solution when the fundamental frequency is identical to ω, the corresponding Fourier series can be written as y˜(x)=∑n=1m acos[(2n-1)ωx]. How to calculate the coefficients of the Fourier series efficiently with a computer program is still an open problem. For HB method, by substituting approximation y˜(x) into force equation, expanding the resulting expression into a trigonometric series, then letting the coefficients of the resulting lowest-order harmonic be zero, one can obtain approximate coefficients of approximation y˜(x) [R.E. Mickens, Comments on a Generalized Galerkin's method for non-linear oscillators, J. Sound Vib. 118 (1987) 563]. But for nonlinear differential equations such as Duffing equation, it is very difficult to construct higher-order analytical approximations, because the HB method requires solving a set of algebraic equations for a large number of unknowns with very complex nonlinearities. To overcome the difficulty, forty years ago, Urabe derived a computational method for Duffing equation based on Galerkin procedure [M. Urabe, A. Reiter, Numerical computation of nonlinear forced oscillations by Galerkin's procedure, J. Math. Anal. Appl. 14 (1966) 107-140]. Dooren obtained an approximate solution of the Duffing oscillator with a special set of parameters by using Urabe's method [R. van Dooren, Stabilization of Cowell's classic finite difference method for numerical integration, J. Comput. Phys. 16 (1974) 186-192]. In this paper, in the frame of the general HB method, we present a new iteration algorithm to calculate the coefficients of the Fourier series. By using this new method, the iteration procedure starts with a(x)cos(ωx)+b(x)sin(ωx), and the accuracy may be improved gradually by determining new coefficients a,a,… will be produced automatically in an one-by-one manner. In all the stage of calculation, we need only to solve a cubic equation. Using this new algorithm, we develop a Mathematica program, which demonstrates following main advantages over the previous HB method: (1) it avoids solving a set of associate nonlinear equations; (2) it is easier to be implemented into a computer program, and produces a highly accurate solution with analytical expression efficiently. It is interesting to find that, generally, for a given set of parameters, a nonlinear Duffing equation can have three independent oscillation modes. For some sets of the parameters, it can have two modes with complex displacement and one with real displacement. But in some cases, it can have three modes, all of them having real displacement. Therefore, we can divide the parameters into two classes, according to the solution property: there is only one mode with real displacement and there are three modes with real displacement. This program should be useful to study the dynamically periodic behavior of a Duffing oscillator and can provide an approximate analytical solution with high-accuracy for testing the error behavior of newly developed numerical methods with a wide range of parameters. Program summaryTitle of program:AnalyDuffing.nb Catalogue identifier:ADWR_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADWR_v1_0 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions:none Computer for which the program is designed and others on which it has been tested:the program has been designed for a microcomputer and been tested on the microcomputer. Computers:IBM PC Installations:the address(es) of your computer(s) Operating systems under which the program has been tested:Windows XP Programming language used:Software Mathematica 4.2, 5.0 and 5.1 No. of lines in distributed program, including test data, etc.:23 663 No. of bytes in distributed program, including test data, etc.:152 321 Distribution format:tar.gz Memory required to execute with typical data:51 712 Bytes No. of bits in a word: No. of processors used:1 Has the code been vectorized?:no Peripherals used:no Program Library subprograms used:no Nature of physical problem:To find an approximate solution with analytical expressions for the undamped nonlinear Duffing equation with periodic driving force when the fundamental frequency is identical to the driving force. Method of solution:In the frame of the general HB method, by using a new iteration algorithm to calculate the coefficients of the Fourier series, we can obtain an approximate analytical solution with high-accuracy efficiently. Restrictions on the complexity of the problem:For problems, which have a large driving frequency, the convergence may be a little slow, because more iterative times are needed. Typical running time:several seconds Unusual features of the program:For an undamped Duffing equation, it can provide all the solutions or the oscillation modes with real displacement for any interesting parameters, for the required accuracy, efficiently. The program can be used to study the dynamically periodic behavior of a nonlinear oscillator, and can provide a high-accurate approximate analytical solution for developing high-accurate numerical method.

Biosorption of platinum and palladium for their separation/preconcentration prior to graphite furnace atomic absorption spectrometric determination

NASA Astrophysics Data System (ADS)

Godlewska-Żyłkiewicz, Beata

2003-08-01

Inexpensive baker's yeast Saccharomyces cerevisiae and green algae Chlorella vulgaris, either free or immobilized on silica gel have been shown to selectively accumulate platinum and palladium from water samples in acidic medium (pH 1.6-1.8). Optimization of conditions of metals biosorption (sample pH, algae and yeast masses, adsorption time, temperature) was performed in batch mode. The procedure of matrix separation based on biosorption of platinum and palladium on algae C. vulgaris covalently immobilized on silica gel in flow mode was developed. The use of algae in flow procedure offers several advantages compared with its use in the batch mode. The procedure shows better reproducibility (<2%), improved efficiency of platinum retention on the column (93.3±1.6%), is less laborious and less time consuming. The best recovery of biosorbed metals from column (87.7±3.3% for platinum and 96.8±1.1 for palladium) was obtained with solution of 0.3 mol l -1 thiourea in 1 mol l -1 hydrochloric acid. The influence of thiourea on analytical signals of examined metals during GFAAS determination is discussed. The procedure has been applied for separation of noble metals from tap and waste water samples spiked with platinum and palladium.

New potential solutions for the chemolysis of urinary phosphate calculi determined by an in vitro study.

PubMed

Zhang, Jinqing; Wang, Shuo; Hong, Jingfan; Liu, Chunxiao; Jiang, Yanbin

2015-04-01

To find a more efficient solution for chemolysis of urinary calculi, several organic acids were chosen to form solutions by consulting the composition of a classic solution, Suby G. The solutions together with Renacidin, another classic solution, were designed to react with the 4 phosphate components of urinary stone. The processes were real-time measured and analysed by a focused beam reflectance measurement, and the efficiency factors were investigated and discussed in detail. The results show that several organic acids, e.g. hydroxyacetic acid, lactic acid and α-ketoglutaric acid, are more efficient than citric acid in dissolving urinary phosphate calculus. The new solutions containing the organic acids are promising for improving chemolysis treatment.

Neutron Transport Models and Methods for HZETRN and Coupling to Low Energy Light Ion Transport

NASA Technical Reports Server (NTRS)

Blattnig, S.R.; Slaba, T.C.; Heinbockel, J.H.

2008-01-01

Exposure estimates inside space vehicles, surface habitats, and high altitude aircraft exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETCHEDS and FLUKA, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light ion (A<4) transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

Biodegradable Drug-Loaded Hydroxyapatite Nanotherapeutic Agent for Targeted Drug Release in Tumors.

PubMed

Sun, Wen; Fan, Jiangli; Wang, Suzhen; Kang, Yao; Du, Jianjun; Peng, Xiaojun

2018-03-07

Tumor-targeted drug delivery systems have been increasingly used to improve the therapeutic efficiency of anticancer drugs and reduce their toxic side effects in vivo. Focused on this point, doxorubicin (DOX)-loaded hydroxyapatite (HAP) nanorods consisting of folic acid (FA) modification (DOX@HAP-FA) were developed for efficient antitumor treatment. The DOX-loaded nanorods were synthesized through in situ coprecipitation and hydrothermal method with a DOX template, demonstrating a new procedure for drug loading in HAP materials. DOX could be efficiently released from DOX@HAP-FA within 24 h in weakly acidic buffer solution (pH = 6.0) because of the degradation of HAP nanorods. With endocytosis under the mediation of folate receptors, the nanorods exhibited enhanced cellular uptake and further degraded, and consequently, the proliferation of targeted cells was inhibited. More importantly, in a tumor-bearing mouse model, DOX@HAP-FA treatment demonstrated excellent tumor growth inhibition. In addition, no apparent side effects were observed during the treatment. These results suggested that DOX@HAP-FA may be a promising nanotherapeutic agent for effective cancer treatment in vivo.

Distributed Relaxation for Conservative Discretizations

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

2001-01-01

A multigrid method is defined as having textbook multigrid efficiency (TME) if the solutions to the governing system of equations are attained in a computational work that is a small (less than 10) multiple of the operation count in one target-grid residual evaluation. The way to achieve this efficiency is the distributed relaxation approach. TME solvers employing distributed relaxation have already been demonstrated for nonconservative formulations of high-Reynolds-number viscous incompressible and subsonic compressible flow regimes. The purpose of this paper is to provide foundations for applications of distributed relaxation to conservative discretizations. A direct correspondence between the primitive variable interpolations for calculating fluxes in conservative finite-volume discretizations and stencils of the discretized derivatives in the nonconservative formulation has been established. Based on this correspondence, one can arrive at a conservative discretization which is very efficiently solved with a nonconservative relaxation scheme and this is demonstrated for conservative discretization of the quasi one-dimensional Euler equations. Formulations for both staggered and collocated grid arrangements are considered and extensions of the general procedure to multiple dimensions are discussed.

A facile approach to prepare crumpled CoTMPyP/electrochemically reduced graphene oxide nanohybrid as an efficient electrocatalyst for hydrogen evolution reaction

NASA Astrophysics Data System (ADS)

Ma, Juanjuan; Liu, Lin; Chen, Qian; Yang, Min; Wang, Danping; Tong, Zhiwei; Chen, Zhong

2017-03-01

Elaborate design and synthesis of efficient and stable non-Pt electrocatalysts for some renewable energy related conversion/storage processes are one of the major goals of sustainable chemistry. Herein, we report a facile method to fabricate Co porphyrin functionalized electrochemically reduced graphene oxide (CoTMPyP/ERGO) thin film by direct assembly of oppositely charged tetrakis(N-methylpyridyl) porphyrinato cobalt (CoTMPyP) and GO nanosheets under mild conditions followed by an electrochemical reduction procedure. STEM analysis confirms that CoTMPyP nanoaggregates are homogeneously distributed over the graphene surface. The electrochemical properties of CoTMPyP/ERGO were investigated by cyclic voltammetry, linear sweep voltammetry and electrochemical impedance spectroscopy. The results demonstrate that CoTMPyP/ERGO nanohybrid film can serve as excellent electrocatalyst for hydrogen evolution in alkaline solution with high activity and stability. The intimate contact and efficient electron transfer between CoTMPyP and ERGO, as well as the crumpled structure, contribute to the improvement of the electrocatalytic performance.

Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate).

PubMed

Barone, Vincenzo; Bellina, Fabio; Biczysko, Malgorzata; Bloino, Julien; Fornaro, Teresa; Latouche, Camille; Lessi, Marco; Marianetti, Giulia; Minei, Pierpaolo; Panattoni, Alessandro; Pucci, Andrea

2015-10-28

The possibilities offered by organic fluorophores in the preparation of advanced plastic materials have been increased by designing novel alkynylimidazole dyes, featuring different push and pull groups. This new family of fluorescent dyes was synthesized by means of a one-pot sequential bromination-alkynylation of the heteroaromatic core, and their optical properties were investigated in tetrahydrofuran and in poly(methyl methacrylate). An efficient in silico pre-screening scheme was devised as consisting of a step-by-step procedure employing computational methodologies by simulation of electronic spectra within simple vertical energy and more sophisticated vibronic approaches. Such an approach was also extended to efficiently simulate one-photon absorption and emission spectra of the dyes in the polymer environment for their potential application in luminescent solar concentrators. Besides the specific applications of this novel material, the integration of computational and experimental techniques reported here provides an efficient protocol that can be applied to make a selection among similar dye candidates, which constitute the essential responsive part of those fluorescent plastic materials.

CTEPP STANDARD OPERATING PROCEDURE FOR PREPARATION OF SURROGATE RECOVERY STANDARD AND INTERNAL STANDARD SOLUTIONS FOR NEUTRAL TARGET ANALYTES (SOP-5.25)

EPA Science Inventory

This standard operating procedure describes the method used for preparing internal standard, surrogate recovery standard and calibration standard solutions for neutral analytes used for gas chromatography/mass spectrometry analysis.

Optimization of the blade trailing edge geometric parameters for a small scale ORC turbine

NASA Astrophysics Data System (ADS)

Zhang, L.; Zhuge, W. L.; Peng, J.; Liu, S. J.; Zhang, Y. J.

2013-12-01

In general, the method proposed by Whitfield and Baines is adopted for the turbine preliminary design. In this design procedure for the turbine blade trailing edge geometry, two assumptions (ideal gas and zero discharge swirl) and two experience values (WR and γ) are used to get the three blade trailing edge geometric parameters: relative exit flow angle β6, the exit tip radius R6t and hub radius R6h for the purpose of maximizing the rotor total-to-static isentropic efficiency. The method above is established based on the experience and results of testing using air as working fluid, so it does not provide a mathematical optimal solution to instruct the optimization of geometry parameters and consider the real gas effects of the organic, working fluid which must be taken into consideration for the ORC turbine design procedure. In this paper, a new preliminary design and optimization method is established for the purpose of reducing the exit kinetic energy loss to improve the turbine efficiency ηts, and the blade trailing edge geometric parameters for a small scale ORC turbine with working fluid R123 are optimized based on this method. The mathematical optimal solution to minimize the exit kinetic energy is deduced, which can be used to design and optimize the exit shroud/hub radius and exit blade angle. And then, the influence of blade trailing edge geometric parameters on turbine efficiency ηts are analysed and the optimal working ranges of these parameters for the equations are recommended in consideration of working fluid R123. This method is used to modify an existing ORC turbine exit kinetic energy loss from 11.7% to 7%, which indicates the effectiveness of the method. However, the internal passage loss increases from 7.9% to 9.4%, so the only way to consider the influence of geometric parameters on internal passage loss is to give the empirical ranges of these parameters, such as the recommended ranges that the value of γ is at 0.3 to 0.4, and the value of τ is at 0.5 to 0.6.

[Catheter-related bladder discomfort after urological surgery: importance of the type of surgery and efficiency of treatment by clonazepam].

PubMed

Maro, S; Zarattin, D; Baron, T; Bourez, S; de la Taille, A; Salomon, L

2014-09-01

Bladder catheter can induce a Catheter-Related Bladder Discomfort (CRBD). Antagonist of muscarinic receptor is the gold standard treatment. Clonazepam is an antimuscarinic, muscle relaxing oral drug. The aim of this study is to look for a correlation between the type of surgical procedure and the existence of CRBD and to evaluate the efficiency of clonazepam. One hundred patients needing bladder catheter were evaluated. Sexe, age, BMI, presence of diabetes, surgical procedure and existence of CRBD were noted. Pain was evaluated with analogic visual scale. Timing of pain, need for specific treatment by clonazepam and its efficiency were noted. Correlation between preoperative data, type of surgical procedure, existence of CRBD and efficiency of treatment were evaluated. There were 79 men and 21 women (age: 65.9 years, BMI: 25.4). Twelve patients presented diabetes. Surgical procedure concerned prostate in 39 cases, bladder in 19 cases (tumor resections), endo-urology in 20 cases, upper urinary tract in 12 cases (nephrectomy…) and lower urinary tract in 10 cases (sphincter, sub-uretral tape). Forty patients presented CRBD, (pain 4.5 using VAS). This pain occurred 0.6 days after surgery. No correlation was found between preoperative data and CRBD. Bladder resection and endo-urological procedures were surgical procedures which procured CRBD. Clonazepam was efficient in 30 (75 %) out of 40 patients with CRBD. However, it was less efficient in case of bladder tumor resection. CRBD is frequent and occurred immediately after surgery. Bladder resection and endo-urology were the main surgical procedures which induced CRBD. Clonazepam is efficient in 75 %. Bladder resection is the surgical procedure which is the most refractory to treatment. 5. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

Design and characterization of hydrogel-based microfluidic devices with biomimetic solute transport networks

PubMed Central

Koo, Hyung-Jun

2017-01-01

Hydrogel could serve as a matrix material of new classes of solar cells and photoreactors with embedded microfluidic networks. These devices mimic the structure and function of plant leaves, which are a natural soft matter based microfluidic system. These unusual microfluidic-hydrogel devices with fluid-penetrable medium operate on the basis of convective-diffusive mechanism, where the liquid is transported between the non-connected channels via molecular permeation through the hydrogel. We define three key designs of such hydrogel devices, having linear, T-shaped, and branched channels and report results of numerical simulation of the process of their infusion with solute carried by the incoming fluid. The computational procedure takes into account both pressure-driven convection and concentration gradient-driven diffusion in the permeable gel matrix. We define the criteria for evaluation of the fluid infusion rate, uniformity, solute loss by outflow and overall performance. The T-shaped channel network was identified as the most efficient one and was improved further by investigating the effect of the channel-end secondary branches. Our parallel experimental data on the pattern of solute infusions are in excellent agreement with the simulation. These network designs can be applied to a broad range of novel microfluidic materials and soft matter devices with distributed microchannel networks. PMID:28396708

A hybrid method for solutes in complex solvents: Density functional theory combined with empirical force fields

NASA Astrophysics Data System (ADS)

Eichinger, M.; Tavan, P.; Hutter, J.; Parrinello, M.

1999-06-01

We present a hybrid method for molecular dynamics simulations of solutes in complex solvents as represented, for example, by substrates within enzymes. The method combines a quantum mechanical (QM) description of the solute with a molecular mechanics (MM) approach for the solvent. The QM fragment of a simulation system is treated by ab initio density functional theory (DFT) based on plane-wave expansions. Long-range Coulomb interactions within the MM fragment and between the QM and the MM fragment are treated by a computationally efficient fast multipole method. For the description of covalent bonds between the two fragments, we introduce the scaled position link atom method (SPLAM), which removes the shortcomings of related procedures. The various aspects of the hybrid method are scrutinized through test calculations on liquid water, the water dimer, ethane and a small molecule related to the retinal Schiff base. In particular, the extent to which vibrational spectra obtained by DFT for the solute can be spoiled by the lower quality force field of the solvent is checked, including cases in which the two fragments are covalently joined. The results demonstrate that our QM/MM hybrid method is especially well suited for the vibrational analysis of molecules in condensed phase.

Fouling of a spiral-wound reverse osmosis membrane processing swine wastewater: effect of cleaning procedure on fouling resistance.

PubMed

Camilleri-Rumbau, M S; Masse, L; Dubreuil, J; Mondor, M; Christensen, K V; Norddahl, B

2016-01-01

Swine manure is a valuable source of nitrogen, phosphorus and potassium. After solid-liquid separation, the resulting swine wastewater can be concentrated by reverse osmosis (RO) to produce a nitrogen-potassium rich fertilizer. However, swine wastewater has a high fouling potential and an efficient cleaning strategy is required. In this study, a semi-commercial farm scale RO spiral-wound membrane unit was fouled while processing larger volumes of swine wastewater during realistic cyclic operations over a 9-week period. Membrane cleaning was performed daily. Three different cleaning solutions, containing SDS, SDS+EDTA and NaOH were compared. About 99% of the fouling resistance could be removed by rinsing the membrane with water. Flux recoveries (FRs) above 98% were achieved for all the three cleaning solutions after cleaning. No significant differences in FR were found between the cleaning solutions. The NaOH solution thus is a good economical option for cleaning RO spiral-wound membranes fouled with swine wastewater. Soaking the membrane for 3 days in permeate water at the end of each week further improved the FR. Furthermore, a fouling resistance model for predicting the fouling rate, permeate flux decay and cleaning cycle periods based on processing time and swine wastewater conductivity was developed.

Performance of a parallel algebraic multilevel preconditioner for stabilized finite element semiconductor device modeling

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

Lin, Paul T.; Shadid, John N.; Sala, Marzio

In this study results are presented for the large-scale parallel performance of an algebraic multilevel preconditioner for solution of the drift-diffusion model for semiconductor devices. The preconditioner is the key numerical procedure determining the robustness, efficiency and scalability of the fully-coupled Newton-Krylov based, nonlinear solution method that is employed for this system of equations. The coupled system is comprised of a source term dominated Poisson equation for the electric potential, and two convection-diffusion-reaction type equations for the electron and hole concentration. The governing PDEs are discretized in space by a stabilized finite element method. Solution of the discrete system ismore » obtained through a fully-implicit time integrator, a fully-coupled Newton-based nonlinear solver, and a restarted GMRES Krylov linear system solver. The algebraic multilevel preconditioner is based on an aggressive coarsening graph partitioning of the nonzero block structure of the Jacobian matrix. Representative performance results are presented for various choices of multigrid V-cycles and W-cycles and parameter variations for smoothers based on incomplete factorizations. Parallel scalability results are presented for solution of up to 10{sup 8} unknowns on 4096 processors of a Cray XT3/4 and an IBM POWER eServer system.« less

Cohomogeneity-one solutions in Einstein-Maxwell-dilaton gravity

NASA Astrophysics Data System (ADS)

Lim, Yen-Kheng

2017-05-01

The field equations for Einstein-Maxwell-dilaton gravity in D dimensions are reduced to an effective one-dimensional system under the influence of exponential potentials. Various cases where exact solutions can be found are explored. With this procedure, we present interesting solutions such as a one-parameter generalization of the dilaton-Melvin spacetime and a three-parameter solution that interpolates between the Reissner-Nordström and Bertotti-Robinson solutions. This procedure also allows simple, alternative derivations of known solutions such as the Lifshitz spacetime and the planar anti-de Sitter naked singularity. In the latter case, the metric is cast in a simpler form which reveals the presence of an additional curvature singularity.

Evolutionary algorithm based optimization of hydraulic machines utilizing a state-of-the-art block coupled CFD solver and parametric geometry and mesh generation tools

NASA Astrophysics Data System (ADS)

S, Kyriacou; E, Kontoleontos; S, Weissenberger; L, Mangani; E, Casartelli; I, Skouteropoulou; M, Gattringer; A, Gehrer; M, Buchmayr

2014-03-01

An efficient hydraulic optimization procedure, suitable for industrial use, requires an advanced optimization tool (EASY software), a fast solver (block coupled CFD) and a flexible geometry generation tool. EASY optimization software is a PCA-driven metamodel-assisted Evolutionary Algorithm (MAEA (PCA)) that can be used in both single- (SOO) and multiobjective optimization (MOO) problems. In MAEAs, low cost surrogate evaluation models are used to screen out non-promising individuals during the evolution and exclude them from the expensive, problem specific evaluation, here the solution of Navier-Stokes equations. For additional reduction of the optimization CPU cost, the PCA technique is used to identify dependences among the design variables and to exploit them in order to efficiently drive the application of the evolution operators. To further enhance the hydraulic optimization procedure, a very robust and fast Navier-Stokes solver has been developed. This incompressible CFD solver employs a pressure-based block-coupled approach, solving the governing equations simultaneously. This method, apart from being robust and fast, also provides a big gain in terms of computational cost. In order to optimize the geometry of hydraulic machines, an automatic geometry and mesh generation tool is necessary. The geometry generation tool used in this work is entirely based on b-spline curves and surfaces. In what follows, the components of the tool chain are outlined in some detail and the optimization results of hydraulic machine components are shown in order to demonstrate the performance of the presented optimization procedure.

Data forwarding mechanism for supporting real-time services during relocations in UMTS systems

NASA Astrophysics Data System (ADS)

Cai, Wei; Liao, Xianglong; Zheng, Liang; Liu, Zehong

2004-04-01

To minimize the interruption during the handovers or relocations invoked by subscribers moving is a very critical factor to enhance the performance of the UMTS systems. We know that the 2G systems have been optimized to minimize the interruption of speech during handovers by two main technologies: one is the bi-casting for the DL traffic and the other is the fast radio resynchronization by the UE for the UL traffic. In the UMTS systems, we have also implemented lossless relocations for non real-time services with high reliability by data buffering in the source RNC and target RNC for the UE. However, the UMTS systems support four QoS classes traffic flow: conversational class, streaming class, interactive class and background class. The main distinguishing factor between these QoS classes is how delay sensitive the traffic is: Conversational and Streaming classes are mainly used to carry real-time traffic flows, like video telephony, interactive and background classes are mainly used by traditional Internet applications like WWW, E-mail and FTP. It"s essential to provide the solutions for supporting real-time services to meet the requirement for QoS in UMTS systems. Apparently, the Data buffering mechanism is not adapted to real-time services because of it"s delay may exceed the basic requirement for real-time services. Under this background, the paper discussed two data forwarding solutions for real-time services from the PS domain in the UMTS systems: packet duplication and Core Network bi-casting. The former mechanism does not require any new procedures, messages nor information elements. The later mechanism requires that the GGSN or SGSN is able to bi-cast the DL traffic to the target RNC according to the relocations involving two SGSNs or just involving one SGSN. It also implicitly shows that we need change procedures at the nodes SGSN, GGSN and RNC which are involved in the relocation procedure based on existing procedures that we have already designed if adopt the later solution. In a detail way, the paper analyzed the characteristic for these two solutions respectively, concentrated on the packet flows and the message flows in those nodes involved in relocations. Additionally, also gave out the impact on present transport technologies in the wireless communication systems. However we shall minimize the impact of evolution of transport mechanism and utilize the resource efficiently according to the general requirements for QoS in UMTS systems.

Nonlinear system guidance in the presence of transmission zero dynamics

NASA Technical Reports Server (NTRS)

Meyer, G.; Hunt, L. R.; Su, R.

1995-01-01

An iterative procedure is proposed for computing the commanded state trajectories and controls that guide a possibly multiaxis, time-varying, nonlinear system with transmission zero dynamics through a given arbitrary sequence of control points. The procedure is initialized by the system inverse with the transmission zero effects nulled out. Then the 'steady state' solution of the perturbation model with the transmission zero dynamics intact is computed and used to correct the initial zero-free solution. Both time domain and frequency domain methods are presented for computing the steady state solutions of the possibly nonminimum phase transmission zero dynamics. The procedure is illustrated by means of linear and nonlinear examples.

Comparison of 7.2% hypertonic saline - 6% hydroxyethyl starch solution and 6% hydroxyethyl starch solution after the induction of anesthesia in patients undergoing elective neurosurgical procedures.

PubMed

Shao, Liujiazi; Wang, Baoguo; Wang, Shuangyan; Mu, Feng; Gu, Ke

2013-01-01

The ideal solution for fluid management during neurosurgical procedures remains controversial. The aim of this study was to compare the effects of a 7.2% hypertonic saline - 6% hydroxyethyl starch (HS-HES) solution and a 6% hydroxyethyl starch (HES) solution on clinical, hemodynamic and laboratory variables during elective neurosurgical procedures. Forty patients scheduled for elective neurosurgical procedures were randomly assigned to the HS-HES group orthe HES group. Afterthe induction of anesthesia, patients in the HS-HES group received 250 mL of HS-HES (500 mL/h), whereas the patients in the HES group received 1,000 mL of HES (1000 mL/h). The monitored variables included clinical, hemodynamic and laboratory parameters. Chictr.org: ChiCTR-TRC-12002357 The patients who received the HS-HES solution had a significant decrease in the intraoperative total fluid input (p<0.01), the volume of Ringer's solution required (p<0.05), the fluid balance (p<0.01) and their dural tension scores (p<0.05). The total urine output, blood loss, bleeding severity scores, operation duration and hemodynamic variables were similar in both groups (p>0.05). Moreover, compared with the HES group, the HS-HES group had significantly higher plasma concentrations of sodium and chloride, increasing the osmolality (p<0.01). Our results suggest that HS-HES reduced the volume of intraoperative fluid required to maintain the patients undergoing surgery and led to a decrease in the intraoperative fluid balance. Moreover, HS-HES improved the dural tension scores and provided satisfactory brain relaxation. Our results indicate that HS-HES may represent a new avenue for volume therapy during elective neurosurgical procedures.

Comparison of 7.2% hypertonic saline - 6% hydroxyethyl starch solution and 6% hydroxyethyl starch solution after the induction of anesthesia in patients undergoing elective neurosurgical procedures

PubMed Central

Shao, Liujiazi; Wang, Baoguo; Wang, Shuangyan; Mu, Feng; Gu, Ke

2013-01-01

OBJECTIVE: The ideal solution for fluid management during neurosurgical procedures remains controversial. The aim of this study was to compare the effects of a 7.2% hypertonic saline - 6% hydroxyethyl starch (HS-HES) solution and a 6% hydroxyethyl starch (HES) solution on clinical, hemodynamic and laboratory variables during elective neurosurgical procedures. METHODS: Forty patients scheduled for elective neurosurgical procedures were randomly assigned to the HS-HES group or the HES group. After the induction of anesthesia, patients in the HS-HES group received 250 mL of HS-HES (500 mL/h), whereas the patients in the HES group received 1,000 mL of HES (1000 mL/h). The monitored variables included clinical, hemodynamic and laboratory parameters. Chictr.org: ChiCTR-TRC-12002357 RESULTS: The patients who received the HS-HES solution had a significant decrease in the intraoperative total fluid input (p<0.01), the volume of Ringer's solution required (p<0.05), the fluid balance (p<0.01) and their dural tension scores (p<0.05). The total urine output, blood loss, bleeding severity scores, operation duration and hemodynamic variables were similar in both groups (p>0.05). Moreover, compared with the HES group, the HS-HES group had significantly higher plasma concentrations of sodium and chloride, increasing the osmolality (p<0.01). CONCLUSION: Our results suggest that HS-HES reduced the volume of intraoperative fluid required to maintain the patients undergoing surgery and led to a decrease in the intraoperative fluid balance. Moreover, HS-HES improved the dural tension scores and provided satisfactory brain relaxation. Our results indicate that HS-HES may represent a new avenue for volume therapy during elective neurosurgical procedures. PMID:23644851

Vector critical points and generalized quasi-efficient solutions in nonsmooth multi-objective programming.

PubMed

Wang, Zhen; Li, Ru; Yu, Guolin

2017-01-01

In this work, several extended approximately invex vector-valued functions of higher order involving a generalized Jacobian are introduced, and some examples are presented to illustrate their existences. The notions of higher-order (weak) quasi-efficiency with respect to a function are proposed for a multi-objective programming. Under the introduced generalization of higher-order approximate invexities assumptions, we prove that the solutions of generalized vector variational-like inequalities in terms of the generalized Jacobian are the generalized quasi-efficient solutions of nonsmooth multi-objective programming problems. Moreover, the equivalent conditions are presented, namely, a vector critical point is a weakly quasi-efficient solution of higher order with respect to a function.

An unconditionally stable staggered algorithm for transient finite element analysis of coupled thermoelastic problems

NASA Technical Reports Server (NTRS)

Farhat, C.; Park, K. C.; Dubois-Pelerin, Y.

1991-01-01

An unconditionally stable second order accurate implicit-implicit staggered procedure for the finite element solution of fully coupled thermoelasticity transient problems is proposed. The procedure is stabilized with a semi-algebraic augmentation technique. A comparative cost analysis reveals the superiority of the proposed computational strategy to other conventional staggered procedures. Numerical examples of one and two-dimensional thermomechanical coupled problems demonstrate the accuracy of the proposed numerical solution algorithm.

Influence of Cryopreservation Solution on the In Vitro Culture of Skin Tissues Derived from Collared Peccary (Pecari tajacu Linnaeus, 1758).

PubMed

Borges, Alana A; Lira, Gabriela P O; Nascimento, Lucas E; Queiroz Neta, Luiza B; Santos, Maria V O; Oliveira, Moacir F; Silva, Alexandre R; Pereira, Alexsandra F

2018-04-01

Skin vitrification is a promising and alternative tool for the conservation of biodiversity, especially for wild mammals, such as collared peccaries. Several factors can affect the success of this procedure, such as the cryoprotectant solution used. Therefore, this study was carried out to compare the efficiency of various vitrification solutions for recovery of viable cells after in vitro culture of cryopreserved skin tissues derived from the collared peccary, aiming to study the application in biobanking, where cellular use is not immediately required. Then, Dulbecco's modified Eagle's medium (DMEM) composed of 2.2 g/L sodium bicarbonate and 10% fetal bovine serum (FBS) was supplemented with 3.0 M ethylene glycol (EG) or 3.0 M dimethyl sulfoxide (DMSO) or 1.5 M EG plus 1.5 M DMSO with or without sucrose (SUC; 0.25 M) to produce six solutions for solid-surface vitrification. After warming, skin tissues were cultured in vitro and recovered cells were analyzed for morphology, adhesion, subconfluence, and proliferative activity for developing the growth curve and determining the population doubling time (PDT), and viability by Trypan Blue. The vitrification did not alter the ability of the tissues to adhere to the culture dish, as well as the day of all explants with cell growth, subconfluence samples, subconfluence total time, and PDT (p > 0.05). Moreover, independent of the cryoprotectant solution used, the vitrification altered the day of all attached explants (p < 0.05). Nevertheless, for viability after the first passage, only the EG-SUC (86.9%) and DMSO-SUC (91.4%) groups maintained viable cell recovery similar to the nonvitrified group (96.3%, p > 0.05). Additionally, for viability after the third passage, only the EG-SUC group maintained the cell quality (88.3%), when compared with the nonvitrified (97.8%, p > 0.05). In conclusion, DMEM with 10% FBS, 3.0 M EG, and 0.25 M sucrose was the most efficient solution for vitrifying collared peccary skin tissues, leading to the in vitro culture of viable cells.

Geometry definition and grid generation for a complete fighter aircraft

NASA Technical Reports Server (NTRS)

Edwards, T. A.

1986-01-01

Recent advances in computing power and numerical solution procedures have enabled computational fluid dynamicists to attempt increasingly difficult problems. In particular, efforts are focusing on computations of complex three-dimensional flow fields about realistic aerodynamic bodies. To perform such computations, a very accurate and detailed description of the surface geometry must be provided, and a three-dimensional grid must be generated in the space around the body. The geometry must be supplied in a format compatible with the grid generation requirements, and must be verified to be free of inconsistencies. This paper presents a procedure for performing the geometry definition of a fighter aircraft that makes use of a commercial computer-aided design/computer-aided manufacturing system. Furthermore, visual representations of the geometry are generated using a computer graphics system for verification of the body definition. Finally, the three-dimensional grids for fighter-like aircraft are generated by means of an efficient new parabolic grid generation method. This method exhibits good control of grid quality.

Geometry definition and grid generation for a complete fighter aircraft

NASA Technical Reports Server (NTRS)

Edwards, Thomas A.

1986-01-01

Recent advances in computing power and numerical solution procedures have enabled computational fluid dynamicists to attempt increasingly difficult problems. In particular, efforts are focusing on computations of complex three-dimensional flow fields about realistic aerodynamic bodies. To perform such computations, a very accurate and detailed description of the surface geometry must be provided, and a three-dimensional grid must be generated in the space around the body. The geometry must be supplied in a format compatible with the grid generation requirements, and must be verified to be free of inconsistencies. A procedure for performing the geometry definition of a fighter aircraft that makes use of a commercial computer-aided design/computer-aided manufacturing system is presented. Furthermore, visual representations of the geometry are generated using a computer graphics system for verification of the body definition. Finally, the three-dimensional grids for fighter-like aircraft are generated by means of an efficient new parabolic grid generation method. This method exhibits good control of grid quality.

Standardization of fixation, processing and staining methods for the central nervous system of vertebrates.

PubMed

Aldana Marcos, H J; Ferrari, C C; Benitez, I; Affanni, J M

1996-12-01

This paper reports the standardization of methods used for processing and embedding various vertebrate brains of different size in paraffin. Other technical details developed for avoiding frequent difficulties arising during laboratory routine are also reported. Some modifications of the Nissl and Klüver-Barrera staining methods are proposed. These modifications include: 1) a Nissl stain solution with a rapid and efficient action with easier differentiation; 2) the use of a cheap microwave oven for the Klüver-Barrera stain. These procedures have the advantage of permitting Nissl and Klüver-Barrera staining of nervous tissue in about five and fifteen minutes respectively. The proposed procedures have been tested in brains obtained from fish, amphibians, reptiles and mammals of different body sizes. They are the result of our long experience in preparing slides for comparative studies. Serial sections of excellent quality were regularly obtained in all the specimens studied. These standardized methods, being simple and quick, are recommended for routine use in neurobiological laboratories.

Toward Contactless Biology: Acoustophoretic DNA Transfection

NASA Astrophysics Data System (ADS)

Vasileiou, Thomas; Foresti, Daniele; Bayram, Adem; Poulikakos, Dimos; Ferrari, Aldo

2016-02-01

Acoustophoresis revolutionized the field of container-less manipulation of liquids and solids by enabling mixing procedures which avoid contamination and loss of reagents due to the contact with the support. While its applications to chemistry and engineering are straightforward, additional developments are needed to obtain reliable biological protocols in a contactless environment. Here, we provide a first, fundamental step towards biological reactions in air by demonstrating the acoustophoretic DNA transfection of mammalian cells. We developed an original acoustophoretic design capable of levitating, moving and mixing biological suspensions of living mammalians cells and of DNA plasmids. The precise and sequential delivery of the mixed solutions into tissue culture plates is actuated by a novel mechanism based on the controlled actuation of the acoustophoretic force. The viability of the contactless procedure is tested using a cellular model sensitive to small perturbation of neuronal differentiation pathways. Additionally, the efficiency of the transfection procedure is compared to standard, container-based methods for both single and double DNA transfection and for different cell types including adherent growing HeLa cancer cells, and low adhesion neuron-like PC12 cells. In all, this work provides a proof of principle which paves the way to the development of high-throughput acoustophoretic biological reactors.

Optimization of cathodic arc deposition and pulsed plasma melting techniques for growing smooth superconducting Pb photoemissive films for SRF injectors

NASA Astrophysics Data System (ADS)

Nietubyć, Robert; Lorkiewicz, Jerzy; Sekutowicz, Jacek; Smedley, John; Kosińska, Anna

2018-05-01

Superconducting photoinjectors have a potential to be the optimal solution for moderate and high current cw operating free electron lasers. For this application, a superconducting lead (Pb) cathode has been proposed to simplify the cathode integration into a 1.3 GHz, TESLA-type, 1.6-cell long purely superconducting gun cavity. In the proposed design, a lead film several micrometres thick is deposited onto a niobium plug attached to the cavity back wall. Traditional lead deposition techniques usually produce very non-uniform emission surfaces and often result in a poor adhesion of the layer. A pulsed plasma melting procedure reducing the non-uniformity of the lead photocathodes is presented. In order to determine the parameters optimal for this procedure, heat transfer from plasma to the film was first modelled to evaluate melting front penetration range and liquid state duration. The obtained results were verified by surface inspection of witness samples. The optimal procedure was used to prepare a photocathode plug, which was then tested in an electron gun. The quantum efficiency and the value of cavity quality factor have been found to satisfy the requirements for an injector of the European-XFEL facility.

Accuracy of an unstructured-grid upwind-Euler algorithm for the ONERA M6 wing

NASA Technical Reports Server (NTRS)

Batina, John T.

1991-01-01

Improved algorithms for the solution of the three-dimensional, time-dependent Euler equations are presented for aerodynamic analysis involving unstructured dynamic meshes. The improvements have been developed recently to the spatial and temporal discretizations used by unstructured-grid flow solvers. The spatial discretization involves a flux-split approach that is naturally dissipative and captures shock waves sharply with at most one grid point within the shock structure. The temporal discretization involves either an explicit time-integration scheme using a multistage Runge-Kutta procedure or an implicit time-integration scheme using a Gauss-Seidel relaxation procedure, which is computationally efficient for either steady or unsteady flow problems. With the implicit Gauss-Seidel procedure, very large time steps may be used for rapid convergence to steady state, and the step size for unsteady cases may be selected for temporal accuracy rather than for numerical stability. Steady flow results are presented for both the NACA 0012 airfoil and the Office National d'Etudes et de Recherches Aerospatiales M6 wing to demonstrate applications of the new Euler solvers. The paper presents a description of the Euler solvers along with results and comparisons that assess the capability.

Toward Contactless Biology: Acoustophoretic DNA Transfection.

PubMed

Vasileiou, Thomas; Foresti, Daniele; Bayram, Adem; Poulikakos, Dimos; Ferrari, Aldo

2016-02-01

Acoustophoresis revolutionized the field of container-less manipulation of liquids and solids by enabling mixing procedures which avoid contamination and loss of reagents due to the contact with the support. While its applications to chemistry and engineering are straightforward, additional developments are needed to obtain reliable biological protocols in a contactless environment. Here, we provide a first, fundamental step towards biological reactions in air by demonstrating the acoustophoretic DNA transfection of mammalian cells. We developed an original acoustophoretic design capable of levitating, moving and mixing biological suspensions of living mammalians cells and of DNA plasmids. The precise and sequential delivery of the mixed solutions into tissue culture plates is actuated by a novel mechanism based on the controlled actuation of the acoustophoretic force. The viability of the contactless procedure is tested using a cellular model sensitive to small perturbation of neuronal differentiation pathways. Additionally, the efficiency of the transfection procedure is compared to standard, container-based methods for both single and double DNA transfection and for different cell types including adherent growing HeLa cancer cells, and low adhesion neuron-like PC12 cells. In all, this work provides a proof of principle which paves the way to the development of high-throughput acoustophoretic biological reactors.

Toward Contactless Biology: Acoustophoretic DNA Transfection

PubMed Central

Vasileiou, Thomas; Foresti, Daniele; Bayram, Adem; Poulikakos, Dimos; Ferrari, Aldo

2016-01-01

Acoustophoresis revolutionized the field of container-less manipulation of liquids and solids by enabling mixing procedures which avoid contamination and loss of reagents due to the contact with the support. While its applications to chemistry and engineering are straightforward, additional developments are needed to obtain reliable biological protocols in a contactless environment. Here, we provide a first, fundamental step towards biological reactions in air by demonstrating the acoustophoretic DNA transfection of mammalian cells. We developed an original acoustophoretic design capable of levitating, moving and mixing biological suspensions of living mammalians cells and of DNA plasmids. The precise and sequential delivery of the mixed solutions into tissue culture plates is actuated by a novel mechanism based on the controlled actuation of the acoustophoretic force. The viability of the contactless procedure is tested using a cellular model sensitive to small perturbation of neuronal differentiation pathways. Additionally, the efficiency of the transfection procedure is compared to standard, container-based methods for both single and double DNA transfection and for different cell types including adherent growing HeLa cancer cells, and low adhesion neuron-like PC12 cells. In all, this work provides a proof of principle which paves the way to the development of high-throughput acoustophoretic biological reactors. PMID:26828312

Formation of enriched black tea extract loaded chitosan nanoparticles via electrospraying

NASA Astrophysics Data System (ADS)

Hammond, Samuel James

Creating nanoparticles of beneficial nutraceuticals and pharmaceuticals has had a large surge of research due to the enhancement of absorption and bioavailability by decreasing their size. One of these ways is by electrohydrodynamic atomization, also known as electrospraying. In general, this novel process is done by forcing a liquid through a capillary nozzle and which is subjected to an electrical field. While there are different ways to create nanoparticles, the novel method of electrospraying can be beneficial over other types of nanoparticle formation. Reasons include high control over particle size and distribution by altering electrospray parameters (voltage, flow rate, distance, and time), higher encapsulation efficiency than other methods, and also it is a one step process without exposure to extreme conditions (Gomez-Estaca et. al. 2012, Jaworek and Sobcyzk 2008). The current study aimed to create a chitosan encapsulated theaflavin-2 enriched black tea extract (BTE) nanoparticles via electrospraying. The first step of this process was to create the smallest chitosan nanoparticles possible by altering the electrospray parameters and the chitosan-acetic acid solution parameters. The solution properties altered include chitosan molecular weight, acetic acid concentration, and chitosan concentration. Specifically, the electrospray parameters such as voltage, flow rate and distance from syringe to collector are the most important in determining particle size. After creating the smallest chitosan particles, the TF-2 enriched black tea extract was added to the chitosan-acetic acid solution to be electrosprayed. The particles were assessed with the following procedures: Atomic force microscopy (AFM) and scanning electron microscopy (SEM) for particle morphology and size, and loading efficiency with ultraviolet--visible spectrophotometer (UV-VIS). Chitosan-BTE nanoparticles were successfully created in a one step process. Diameter of the particles on average ranged from 255 nm to 560 nm. Encapsulation efficiency was above 95% for all but one sample set. Future work includes MTT assay and cellular uptake.

78 FR 49607 - Energy Conservation Program: Test Procedures for Residential Clothes Dryers

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-14

... reasonably designed to produce test results which measure energy efficiency, energy use or estimated annual... Energy Conservation Program: Test Procedures for Residential Clothes Dryers; Final Rule #0;#0;Federal... Conservation Program: Test Procedures for Residential Clothes Dryers AGENCY: Office of Energy Efficiency and...

Exact analytical solution of irreversible binary dynamics on networks.

PubMed

Laurence, Edward; Young, Jean-Gabriel; Melnik, Sergey; Dubé, Louis J

2018-03-01

In binary cascade dynamics, the nodes of a graph are in one of two possible states (inactive, active), and nodes in the inactive state make an irreversible transition to the active state, as soon as their precursors satisfy a predetermined condition. We introduce a set of recursive equations to compute the probability of reaching any final state, given an initial state, and a specification of the transition probability function of each node. Because the naive recursive approach for solving these equations takes factorial time in the number of nodes, we also introduce an accelerated algorithm, built around a breath-first search procedure. This algorithm solves the equations as efficiently as possible in exponential time.

Exact analytical solution of irreversible binary dynamics on networks

NASA Astrophysics Data System (ADS)

Laurence, Edward; Young, Jean-Gabriel; Melnik, Sergey; Dubé, Louis J.

2018-03-01

In binary cascade dynamics, the nodes of a graph are in one of two possible states (inactive, active), and nodes in the inactive state make an irreversible transition to the active state, as soon as their precursors satisfy a predetermined condition. We introduce a set of recursive equations to compute the probability of reaching any final state, given an initial state, and a specification of the transition probability function of each node. Because the naive recursive approach for solving these equations takes factorial time in the number of nodes, we also introduce an accelerated algorithm, built around a breath-first search procedure. This algorithm solves the equations as efficiently as possible in exponential time.

Constrained hierarchical least square nonlinear equation solvers. [for indefinite stiffness and large structural deformations

NASA Technical Reports Server (NTRS)

Padovan, J.; Lackney, J.

1986-01-01

The current paper develops a constrained hierarchical least square nonlinear equation solver. The procedure can handle the response behavior of systems which possess indefinite tangent stiffness characteristics. Due to the generality of the scheme, this can be achieved at various hierarchical application levels. For instance, in the case of finite element simulations, various combinations of either degree of freedom, nodal, elemental, substructural, and global level iterations are possible. Overall, this enables a solution methodology which is highly stable and storage efficient. To demonstrate the capability of the constrained hierarchical least square methodology, benchmarking examples are presented which treat structure exhibiting highly nonlinear pre- and postbuckling behavior wherein several indefinite stiffness transitions occur.

Time dependent deformation and stress in the lithosphere. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Yang, M.

1980-01-01

Efficient computer programs incorporating frontal solution and time stepping procedure were developed for the modelling of geodynamic problems. This scheme allows for investigating the quasi static phenomena including the effects of the rheological structure of a tectonically active region. From three dimensional models of strike slip earthquakes, it was found that lateral variation of viscosity affects the characteristics of surface deformations. The vertical deformation is especially informative about the viscosity structure in a strike slip fault zone. A three dimensional viscoelastic model of a thrust earthquake indicated that the transient disturbance on plate velocity due to a great plate boundary earthquake is significant at intermediate distances, but becomes barely measurable 1000 km away from the source.

Radial rescaling approach for the eigenvalue problem of a particle in an arbitrarily shaped box.

PubMed

Lijnen, Erwin; Chibotaru, Liviu F; Ceulemans, Arnout

2008-01-01

In the present work we introduce a methodology for solving a quantum billiard with Dirichlet boundary conditions. The procedure starts from the exactly known solutions for the particle in a circular disk, which are subsequently radially rescaled in such a way that they obey the new boundary conditions. In this way one constructs a complete basis set which can be used to obtain the eigenstates and eigenenergies of the corresponding quantum billiard to a high level of precision. Test calculations for several regular polygons show the efficiency of the method which often requires one or two basis functions to describe the lowest eigenstates with high accuracy.

GPU-based real-time soft tissue deformation with cutting and haptic feedback.

PubMed

Courtecuisse, Hadrien; Jung, Hoeryong; Allard, Jérémie; Duriez, Christian; Lee, Doo Yong; Cotin, Stéphane

2010-12-01

This article describes a series of contributions in the field of real-time simulation of soft tissue biomechanics. These contributions address various requirements for interactive simulation of complex surgical procedures. In particular, this article presents results in the areas of soft tissue deformation, contact modelling, simulation of cutting, and haptic rendering, which are all relevant to a variety of medical interventions. The contributions described in this article share a common underlying model of deformation and rely on GPU implementations to significantly improve computation times. This consistency in the modelling technique and computational approach ensures coherent results as well as efficient, robust and flexible solutions. Copyright © 2010 Elsevier Ltd. All rights reserved.

Non-linear eigensolver-based alternative to traditional SCF methods

NASA Astrophysics Data System (ADS)

Gavin, B.; Polizzi, E.

2013-05-01

The self-consistent procedure in electronic structure calculations is revisited using a highly efficient and robust algorithm for solving the non-linear eigenvector problem, i.e., H({ψ})ψ = Eψ. This new scheme is derived from a generalization of the FEAST eigenvalue algorithm to account for the non-linearity of the Hamiltonian with the occupied eigenvectors. Using a series of numerical examples and the density functional theory-Kohn/Sham model, it will be shown that our approach can outperform the traditional SCF mixing-scheme techniques by providing a higher converge rate, convergence to the correct solution regardless of the choice of the initial guess, and a significant reduction of the eigenvalue solve time in simulations.

Preliminary design procedure for insulated structures subjected to transient heating

NASA Technical Reports Server (NTRS)

Adelman, H. M.

1979-01-01

Minimum-mass designs were obtained for insulated structural panels loaded by a general set of inplane forces and a time dependent temperature. Temperature and stress histories in the structure are given by closed-form solutions, and optimization of the insulation and structural thicknesses is performed by nonlinear mathematical programming techniques. Design calculations are described to evaluate the structural efficiency of eight materials under combined heating and mechanical loads: graphite/polyimide, graphite/epoxy, boron/aluminum, titanium, aluminum, Rene 41, carbon/carbon, and Lockalloy. The effect on design mass of intensity and duration of heating were assessed. Results indicate that an optimum structure may have a temperature response well below the recommended allowable temperature for the material.

Optimization of Composite Structures with Curved Fiber Trajectories

NASA Astrophysics Data System (ADS)

Lemaire, Etienne; Zein, Samih; Bruyneel, Michael

2014-06-01

This paper studies the problem of optimizing composites shells manufactured using Automated Tape Layup (ATL) or Automated Fiber Placement (AFP) processes. The optimization procedure relies on a new approach to generate equidistant fiber trajectories based on Fast Marching Method. Starting with a (possibly curved) reference fiber direction defined on a (possibly curved) meshed surface, the new method allows determining fibers orientation resulting from a uniform thickness layup. The design variables are the parameters defining the position and the shape of the reference curve which results in very few design variables. Thanks to this efficient parameterization, maximum stiffness optimization numerical applications are proposed. The shape of the design space is discussed, regarding local and global optimal solutions.

A time-accurate algorithm for chemical non-equilibrium viscous flows at all speeds

NASA Technical Reports Server (NTRS)

Shuen, J.-S.; Chen, K.-H.; Choi, Y.

1992-01-01

A time-accurate, coupled solution procedure is described for the chemical nonequilibrium Navier-Stokes equations over a wide range of Mach numbers. This method employs the strong conservation form of the governing equations, but uses primitive variables as unknowns. Real gas properties and equilibrium chemistry are considered. Numerical tests include steady convergent-divergent nozzle flows with air dissociation/recombination chemistry, dump combustor flows with n-pentane-air chemistry, nonreacting flow in a model double annular combustor, and nonreacting unsteady driven cavity flows. Numerical results for both the steady and unsteady flows demonstrate the efficiency and robustness of the present algorithm for Mach numbers ranging from the incompressible limit to supersonic speeds.

Comparison of two- and three-dimensional flow computations with laser anemometer measurements in a transonic compressor rotor

NASA Technical Reports Server (NTRS)

Chima, R. V.; Strazisar, A. J.

1982-01-01

Two and three dimensional inviscid solutions for the flow in a transonic axial compressor rotor at design speed are compared with probe and laser anemometers measurements at near-stall and maximum-flow operating points. Experimental details of the laser anemometer system and computational details of the two dimensional axisymmetric code and three dimensional Euler code are described. Comparisons are made between relative Mach number and flow angle contours, shock location, and shock strength. A procedure for using an efficient axisymmetric code to generate downstream pressure input for computationally expensive Euler codes is discussed. A film supplement shows the calculations of the two operating points with the time-marching Euler code.

Saving Time with Automated Account Management

ERIC Educational Resources Information Center

School Business Affairs, 2013

2013-01-01

Thanks to intelligent solutions, schools, colleges, and universities no longer need to manage user account life cycles by using scripts or tedious manual procedures. The solutions house the scripts and manual procedures. Accounts can be automatically created, modified, or deleted in all applications within the school. This article describes how an…

Stabilization of the As-contaminated soil from the metal mining areas in Korea.

PubMed

Ko, Myoung-Soo; Kim, Ju-Yong; Bang, Sunbeak; Lee, Jin-Soo; Ko, Ju-In; Kim, Kyoung-Woong

2012-01-01

The stabilization efficiencies of arsenic (As) in contaminated soil were evaluated using various additives such as limestone, steel mill slag, granular ferric hydroxide (GFH), and mine sludge collected from an acid mine drainage treatment system. The soil samples were collected from the Chungyang area, where abandoned Au-Ag mines are located. Toxicity characteristic leaching procedure, synthetic precipitation leaching procedure, sequential extraction analysis, aqua regia digestion, cation exchange capacity, loss on ignition, and particle size distribution were conducted to assess the physical and chemical characteristics of highly arsenic-contaminated soils. The total concentrations of arsenic in the Chungyang area soil ranged up to 145 mg/kg. After the stabilization tests, the removal percentages of dissolved As(III) and As(V) were found to differ from the additives employed. Approximately 80 and 40% of the As(V) and As(III), respectively, were removed with the use of steel mill slag. The addition of limestone had a lesser effect on the removal of arsenic from solution. However, more than 99% of arsenic was removed from solution within 24 h when using GFH and mine sludge, with similar results observed when the contaminated soils were stabilized using GFH and mine sludge. These results suggested that GFH and mine sludge may play a significant role on the arsenic stabilization. Moreover, this result showed that mine sludge can be used as a suitable additive for the stabilization of arsenic.

A dispersive liquid-liquid micellar microextraction for the determination of pharmaceutical compounds in wastewaters using ultra-high-performace liquid chromatography with DAD detection.

PubMed

Montesdeoca-Esponda, Sarah; Mahugo-Santana, Cristina; Sosa-Ferrera, Zoraida; Santana-Rodríguez, José Juan

2015-03-01

A dispersive liquid-liquid micellar microextraction (DLLMME) method coupled with ultra-high-performance liquid chromatography (UHPLC) using Diode Array Detector (DAD) detector was developed for the analysis of five pharmaceutical compounds of different nature in wastewaters. A micellar solution of a surfactant, polidocanol, as extraction solvent (100 μL) and chloroform as dispersive solvent (200 μL) were used to extract and preconcentrate the target analytes. Samples were heated above critical temperature and the cloudy solution was centrifuged. After removing the chloroform, the reduced volume of surfactant was then injected in the UHPLC system. In order to obtain high extraction efficiency, the parameters affecting the liquid-phase microextraction, such as time and temperature extraction, ionic strength and surfactant and organic solvent volume, were optimized using an experimental design. Under the optimized conditions, this procedure allows enrichment factors of up to 47-fold. The detection limit of the method ranged from 0.1 to 2.0 µg/L for the different pharmaceuticals. Relative standard deviations were <26% for all compounds. The procedure was applied to samples from final effluent collected from wastewater treatment plants in Las Palmas de Gran Canaria (Spain), and two compounds were measured at 67 and 113 µg/L in one of them. Copyright © 2014 John Wiley & Sons, Ltd.

The collagenic architecture of human dura mater.

PubMed

Protasoni, Marina; Sangiorgi, Simone; Cividini, Andrea; Culuvaris, Gloria Tiffany; Tomei, Giustino; Dell'Orbo, Carlo; Raspanti, Mario; Balbi, Sergio; Reguzzoni, Marcella

2011-06-01

Human dura mater is the most external meningeal sheet surrounding the CNS. It provides an efficient protection to intracranial structures and represents the most important site for CSF turnover. Its intrinsic architecture is made up of fibrous tissue including collagenic and elastic fibers that guarantee the maintenance of its biophysical features. The recent technical advances in the repair of dural defects have allowed for the creation of many synthetic and biological grafts. However, no detailed studies on the 3D microscopic disposition of collagenic fibers in dura mater are available. The authors report on the collagenic 3D architecture of normal dura mater highlighting the orientation, disposition in 3 dimensions, and shape of the collagen fibers with respect to the observed layer. Thirty-two dura mater specimens were collected during cranial decompressive surgical procedures, fixed in 2.5% Karnovsky solution, and digested in 1 N NaOH solution. After a routine procedure, the specimens were observed using a scanning electron microscope. The authors distinguished the following 5 layers in the fibrous dura mater of varying thicknesses, orientation, and structures: bone surface, external median, vascular, internal median, and arachnoid layers. The description of the ultrastructural 3D organization of the different layers of dura mater will give us more information for the creation of synthetic grafts that are as similar as possible to normal dura mater. This description will be also related to the study of the neoplastic invasion.

Effect of hydrothermal pretreatment on solubility and formation of kenaf cellulose membrane and hydrogel.

PubMed

Gan, Sinyee; Zakaria, Sarani; Chia, Chin Hua; Padzil, Farah Nadia Mohammad; Ng, Peivun

2015-01-22

The hydrothermal pretreatment on kenaf core pulp (KCP) was carried out using an autoclave heated in a oil bath at 140°C for 0.5/1/3/5h. The hydrothermal pretreated kenaf (HPK) was dissolved in a LiOH/urea aqueous solution and subsequently used to produce cellulose membrane and hydrogel. The effects of hydrothermal pretreatment time on solubility, viscosity, crystallinity and morphology of the cellulose membrane and hydrogel were investigated. The hydrothermal pretreatment leads to higher cellulose solubility and higher viscosity of the cellulose solution. The formation of cellulose II and crystallinity index of the cellulose membrane and hydrogel were examined by X-ray diffraction (XRD). The pore size of the cellulose membrane and hydrogel displayed an upward trend with respect to the hydrothermal pretreatment period observed under a field emission scanning electron microscope (FESEM). This finding provides an efficient procedure to improve the solubility, viscosity and properties of regenerated cellulose products. Copyright © 2014 Elsevier Ltd. All rights reserved.

Simulations of Coherent Synchrotron Radiation Effects in Electron Machines

NASA Astrophysics Data System (ADS)

Migliorati, M.; Schiavi, A.; Dattoli, G.

2007-09-01

Coherent synchrotron radiation (CSR) generated by high intensity electron beams can be a source of undesirable effects limiting the performance of storage rings. The complexity of the physical mechanisms underlying the interplay between the electron beam and the CSR demands for reliable simulation codes. In the past, codes based on Lie algebraic techniques have been very efficient to treat transport problems in accelerators. The extension of these methods to the non linear case is ideally suited to treat wakefields - beam interaction. In this paper we report on the development of a numerical code, based on the solution of the Vlasov equation, which includes the non linear contribution due to wakefields. The proposed solution method exploits an algebraic technique that uses the exponential operators. We show that, in the case of CSR wakefields, the integration procedure is capable of reproducing the onset of an instability which leads to microbunching of the beam thus increasing the CSR at short wavelengths. In addition, considerations on the threshold of the instability for Gaussian bunches is also reported.

Simulations of Coherent Synchrotron Radiation Effects in Electron Machines

NASA Astrophysics Data System (ADS)

Migliorati, M.; Schiavi, A.; Dattoli, G.

Coherent synchrotron radiation (CSR) generated by high intensity electron beams can be a source of undesirable effects limiting the performance of storage rings. The complexity of the physical mechanisms underlying the interplay between the electron beam and the CSR demands for reliable simulation codes. In the past, codes based on Lie algebraic techniques have been very efficient to treat transport problems in accelerators. The extension of these methods to the non linear case is ideally suited to treat wakefields - beam interaction. In this paper we report on the development of a numerical code, based on the solution of the Vlasov equation, which includes the non linear contribution due to wakefields. The proposed solution method exploits an algebraic technique that uses the exponential operators. We show that, in the case of CSR wakefields, the integration procedure is capable of reproducing the onset of an instability which leads to microbunching of the beam thus increasing the CSR at short wavelengths. In addition, considerations on the threshold of the instability for Gaussian bunches is also reported.

Sorption of norfloxacin, sulfamerazine and oxytetracycline by KOH-modified biochar under single and ternary systems.

PubMed

Luo, Jiwei; Li, Xue; Ge, Chengjun; Müller, Karin; Yu, Huamei; Huang, Peng; Li, Jiatong; Tsang, Daniel C W; Bolan, Nanthi S; Rinklebe, Jörg; Wang, Hailong

2018-05-08

Pollution of water by single antibiotics has been investigated in depth. However, in reality, a wide range of different contaminants is often mixed in the aquatic environment (contaminant cocktail). Here, single and competitive sorption dynamics of ionizable norfloxacin (NOR), sulfamerazine (SMR) and oxytetracycline (OTC) by both pristine and modified biochars were investigated. Sorption kinetics of the three antibiotics was faster in ternary-solute than single-solute system. Sorption efficiency was enhanced in the competitive system for NOR by the pristine biochar, and for OTC by both the pristine biochar and the modified biochar, while SMR sorption by the pristine biochar and the KOH-modified biochar was inhibited. Sorption was governed by electrostatic interactions, π-π EDA and H-bonds for antibiotics sorption by biochar. SMR and OTC sorption by biochar was influenced by cation bridging and surface complexation, respectively. This research finding will guide the development of treatment procedures for water polluted by multiple antibiotics. Copyright © 2018 Elsevier Ltd. All rights reserved.

Numerical investigation of velocity slip and temperature jump effects on unsteady flow over a stretching permeable surface

NASA Astrophysics Data System (ADS)

Hosseini, E.; Loghmani, G. B.; Heydari, M.; Rashidi, M. M.

2017-02-01

In this paper, the boundary layer flow and heat transfer of unsteady flow over a porous accelerating stretching surface in the presence of the velocity slip and temperature jump effects are investigated numerically. A new effective collocation method based on rational Bernstein functions is applied to solve the governing system of nonlinear ordinary differential equations. This method solves the problem on the semi-infinite domain without truncating or transforming it to a finite domain. In addition, the presented method reduces the solution of the problem to the solution of a system of algebraic equations. Graphical and tabular results are presented to investigate the influence of the unsteadiness parameter A , Prandtl number Pr, suction parameter fw, velocity slip parameter γ and thermal slip parameter φ on the velocity and temperature profiles of the fluid. The numerical experiments are reported to show the accuracy and efficiency of the novel proposed computational procedure. Comparisons of present results are made with those obtained by previous works and show excellent agreement.

[How to efficiently conduct a physiological examination of a child--from the viewpoint of a medical technologist].

PubMed

Yamadera, Yukio; Aihara, Rieko; Koitabashi, Yoshie; Matsuda, Mitsuko; Takakuda, Yoshie; Kurosaki, Sachiko

2014-08-01

Children are often frightened, cry, refuse to sit still, and may not cooperate during a physiological examination. Technologists must take considerable care to reduce the child's anxiety. Specifically, we should use creative solutions, start by interacting with the patient, using dolls or toys, and explain the procedure to him/her in a friendly way, communicating more effectively with the patient's family. When performing the actual examinations, technologists need to work skillfully with a complete understanding of the purpose of the examinations, having the ability to identify the changes that occur in various developmental stages and interpret the pathophysiological mechanisms specific to children. Furthermore, we must always have an awareness of safety, taking measures to prevent falls from the bed and/or to keep the room warm if examinations require the child to be naked, so that he/she will not catch a cold. I explain various points of caution and possible solutions regarding electrocardiograms, electroencephalograms, and ultrasonography, from the viewpoint of a medical technologist.

An E-plane analysis of aperture-matched horn antennas using the moment method and the uniform geometrical theory of diffraction

NASA Technical Reports Server (NTRS)

Heedy, D. J.; Burnside, W. D.

1984-01-01

The moment method and the uniform geometrical theory of diffraction are utilized to obtain two separate solutions for the E-plane field pattern of an aperture-matched horn antenna. This particular horn antenna consists of a standard pyramidal horn with the following modifications: a rolled edge section attached to the aperture edges and a curved throat section. The resulting geometry provides significantly better performance in terms of the pattern, impedance, and frequency characteristics than normally obtainable. The moment method is used to calculate the E-plane pattern and BSWR of the antenna. However, at higher frequencies, large amounts of computation time are required. The uniform geometrical theory of diffraction provides a quick and efficient high frequency solution for the E-plane field pattern. In fact, the uniform geometrical theory of diffraction may be used to initially design the antenna; then, the moment method may be applied to fine tune the design. This procedure has been successfully applied to a compact range feed design.

Robust numerical solution of the reservoir routing equation

NASA Astrophysics Data System (ADS)

Fiorentini, Marcello; Orlandini, Stefano

2013-09-01

The robustness of numerical methods for the solution of the reservoir routing equation is evaluated. The methods considered in this study are: (1) the Laurenson-Pilgrim method, (2) the fourth-order Runge-Kutta method, and (3) the fixed order Cash-Karp method. Method (1) is unable to handle nonmonotonic outflow rating curves. Method (2) is found to fail under critical conditions occurring, especially at the end of inflow recession limbs, when large time steps (greater than 12 min in this application) are used. Method (3) is computationally intensive and it does not solve the limitations of method (2). The limitations of method (2) can be efficiently overcome by reducing the time step in the critical phases of the simulation so as to ensure that water level remains inside the domains of the storage function and the outflow rating curve. The incorporation of a simple backstepping procedure implementing this control into the method (2) yields a robust and accurate reservoir routing method that can be safely used in distributed time-continuous catchment models.

Conformational Aspects of the O-acetylation of C-tetra(phenyl)calixpyrogallol[4]arene.

PubMed

Casas-Hinestroza, José Luis; Maldonado, Mauricio

2018-05-20

Reaction between pyrogallol and benzaldehyde results in a conformational mixture of C- tetra(phenyl)pyrogallol[4]arene (crown and chair). The conformer mixture was separated using crystallization procedures and the structures were determined using FTIR, ¹H-NMR, and 13 C-NMR. O -acetylation of C- tetra(phenyl)pyrogallol[4]arene (chair) with acetic anhydride, in pyridine results in the formation of dodecaacetyl-tetra(phenyl)pyrogallol[4]arene. The structure was determined using ¹H-NMR and 13 C-NMR finding that the product maintains the conformation of the starting conformer. On the other hand, the O -acetylation reaction of C- tetra(phenyl)pirogallol[4]arene (crown) under same conditions proceeded efficiently, and its structure was determined using ¹H-NMR and 13 C-NMR. Dynamic ¹H-NMR of acetylated pyrogallolarene was studied by means of variable temperature in DMSO- d ₆ solution, and it revealed that two conformers are formed in the solution. Boat conformations for acetylated pyrogallolarene showed a slow interconversion at room temperature.

Determination of fluorine and chlorine in geological materials by induction furnace pyrohydrolysis and standard-addition ion-selective electrode measurement.

PubMed

Rice, T D

1988-03-01

Fluorine and chlorine in geological materials are volatilized by pyrohydrolysis at about 1150 degrees in a stream of oxygen (1000 ml/min) plus steam in an induction furnace. The catalyst is a 7:2:1 mixture of silica gel, tungstic oxide and potassium dihydrogen phosphate. The sample/catalyst mixture is pyrohydrolysed in a re-usable alumina crucible (already containing four drops of 1 + 3 phosphoric acid) inserted in a silica-enclosed graphite crucible. The absorption solution is buffered at pH 6.5 and spiked with 1.6 mug of fluoride and 16 mug of chloride per g of solution, to ensure rapid and linear electrode response during subsequent standard-addition measurement. The simple plastic absorption vessel has 99.5% efficiency. The 3s limits of detection are 5-10 mug/g and 40-100 mug/g for fluorine and chlorine respectively. The procedure is unsuitable for determining chlorine in coal.

A numerical solution method for acoustic radiation from axisymmetric bodies

NASA Technical Reports Server (NTRS)

Caruthers, John E.; Raviprakash, G. K.

1995-01-01

A new and very efficient numerical method for solving equations of the Helmholtz type is specialized for problems having axisymmetric geometry. It is then demonstrated by application to the classical problem of acoustic radiation from a vibrating piston set in a stationary infinite plane. The method utilizes 'Green's Function Discretization', to obtain an accurate resolution of the waves using only 2-3 points per wave. Locally valid free space Green's functions, used in the discretization step, are obtained by quadrature. Results are computed for a range of grid spacing/piston radius ratios at a frequency parameter, omega R/c(sub 0), of 2 pi. In this case, the minimum required grid resolution appears to be fixed by the need to resolve a step boundary condition at the piston edge rather than by the length scale imposed by the wave length of the acoustic radiation. It is also demonstrated that a local near-field radiation boundary procedure allows the domain to be truncated very near the radiating source with little effect on the solution.

An Adaptive Evolutionary Algorithm for Traveling Salesman Problem with Precedence Constraints

PubMed Central

Sung, Jinmo; Jeong, Bongju

2014-01-01

Traveling sales man problem with precedence constraints is one of the most notorious problems in terms of the efficiency of its solution approach, even though it has very wide range of industrial applications. We propose a new evolutionary algorithm to efficiently obtain good solutions by improving the search process. Our genetic operators guarantee the feasibility of solutions over the generations of population, which significantly improves the computational efficiency even when it is combined with our flexible adaptive searching strategy. The efficiency of the algorithm is investigated by computational experiments. PMID:24701158

An adaptive evolutionary algorithm for traveling salesman problem with precedence constraints.

PubMed

Sung, Jinmo; Jeong, Bongju

2014-01-01

Traveling sales man problem with precedence constraints is one of the most notorious problems in terms of the efficiency of its solution approach, even though it has very wide range of industrial applications. We propose a new evolutionary algorithm to efficiently obtain good solutions by improving the search process. Our genetic operators guarantee the feasibility of solutions over the generations of population, which significantly improves the computational efficiency even when it is combined with our flexible adaptive searching strategy. The efficiency of the algorithm is investigated by computational experiments.

Salting-out effect in aqueous NaCl solutions: trends with size and polarity of solute molecules.

PubMed

Endo, Satoshi; Pfennigsdorff, Andrea; Goss, Kai-Uwe

2012-02-07

Salting-out in aqueous NaCl solutions is relevant for the environmental behavior of organic contaminants. In this study, Setschenow (or salting-out) coefficients (K(s) [M(-1)]) for 43 diverse neutral compounds in NaCl solutions were measured using a shared headspace passive dosing method and a negligible depletion solid phase microextraction technique. The results were used to calibrate and evaluate estimation models for K(s). The molar volume of the solute correlated only moderately with K(s) (R(2) = 0.49, SD = 0.052). The polyparameter linear free energy relationship (pp-LFER) model that uses five compound descriptors resulted in a more accurate fit to our data (R(2) = 0.83, SD = 0.031). The pp-LFER analysis revealed that Na(+) and Cl(-) in aqueous solutions increase the cavity formation energy cost and the polar interaction energies toward neutral organic solutes. Accordingly, the salting-out effect increases with the size and decreases with the polarity of the solute molecule. COSMO-RS, a quantum mechanics-based fully predictive model, generally overpredicted the experimental K(s), but the predicted values were moderately correlated with the experimental values (R(2) = 0.66, SD = 0.042). Literature data (n = 93) were predicted by the calibrated pp-LFER and COSMO-RS models with root mean squared errors of 0.047 and 0.050, respectively. This study offers prediction models to estimate K(s), allowing implementation of the salting-out effect in contaminant fate models, linkage of various partition coefficients (such as air-water, sediment-water, and extraction phase-water partition coefficients) measured for fresh water and seawater, and estimation of enhancement of extraction efficiency in analytical procedures.

Random element method for numerical modeling of diffusional processes

NASA Technical Reports Server (NTRS)

Ghoniem, A. F.; Oppenheim, A. K.

1982-01-01

The random element method is a generalization of the random vortex method that was developed for the numerical modeling of momentum transport processes as expressed in terms of the Navier-Stokes equations. The method is based on the concept that random walk, as exemplified by Brownian motion, is the stochastic manifestation of diffusional processes. The algorithm based on this method is grid-free and does not require the diffusion equation to be discritized over a mesh, it is thus devoid of numerical diffusion associated with finite difference methods. Moreover, the algorithm is self-adaptive in space and explicit in time, resulting in an improved numerical resolution of gradients as well as a simple and efficient computational procedure. The method is applied here to an assortment of problems of diffusion of momentum and energy in one-dimension as well as heat conduction in two-dimensions in order to assess its validity and accuracy. The numerical solutions obtained are found to be in good agreement with exact solution except for a statistical error introduced by using a finite number of elements, the error can be reduced by increasing the number of elements or by using ensemble averaging over a number of solutions.

A Structured Grid Based Solution-Adaptive Technique for Complex Separated Flows

NASA Technical Reports Server (NTRS)

Thornburg, Hugh; Soni, Bharat K.; Kishore, Boyalakuntla; Yu, Robert

1996-01-01

The objective of this work was to enhance the predictive capability of widely used computational fluid dynamic (CFD) codes through the use of solution adaptive gridding. Most problems of engineering interest involve multi-block grids and widely disparate length scales. Hence, it is desirable that the adaptive grid feature detection algorithm be developed to recognize flow structures of different type as well as differing intensity, and adequately address scaling and normalization across blocks. In order to study the accuracy and efficiency improvements due to the grid adaptation, it is necessary to quantify grid size and distribution requirements as well as computational times of non-adapted solutions. Flow fields about launch vehicles of practical interest often involve supersonic freestream conditions at angle of attack exhibiting large scale separate vortical flow, vortex-vortex and vortex-surface interactions, separated shear layers and multiple shocks of different intensity. In this work, a weight function and an associated mesh redistribution procedure is presented which detects and resolves these features without user intervention. Particular emphasis has been placed upon accurate resolution of expansion regions and boundary layers. Flow past a wedge at Mach=2.0 is used to illustrate the enhanced detection capabilities of this newly developed weight function.

The Propagation and Scattering of EM Waves in Electrically Large Ducts

NASA Astrophysics Data System (ADS)

Khan, Saeed Mahmood

The electromagnetic scattering from large arbitrarily shaped ducts with complex termination is studied here by a hybrid technique. The propagation of electromagnetic waves in the duct is analyzed in terms of an approximate modal solution. A finite difference technique is employed for computing the reflection characteristics of the complex terminations. Both solutions are combined using the unimoment method. The analysis here is carried out for monostatic RCS and considers only fields backscattered from inside the cavity. Rim-diffraction has been left out. The procedure offers such advantages as in that it is not necessary to find complicated Green's functions, which may not be readily available, when compared with the integral equation method. Hybridization performed by combining an approximate modal technique with a finite difference one makes the scheme numerically efficient. From a computational EM point of view, it brings together a whole spectrum of techniques associated with high frequency modal analysis, Fourier Methods, Radar Cross Section and Scattering, finite difference solution and the Unimoment Method. The practical application of this technique may range from the study of RCS scattered from jet inlets of radar evasive aircraft to submarine communication waveguides.

Guidelines and Parameter Selection for the Simulation of Progressive Delamination

NASA Technical Reports Server (NTRS)

Song, Kyongchan; Davila, Carlos G.; Rose, Cheryl A.

2008-01-01

Turon s methodology for determining optimal analysis parameters for the simulation of progressive delamination is reviewed. Recommended procedures for determining analysis parameters for efficient delamination growth predictions using the Abaqus/Standard cohesive element and relatively coarse meshes are provided for single and mixed-mode loading. The Abaqus cohesive element, COH3D8, and a user-defined cohesive element are used to develop finite element models of the double cantilever beam specimen, the end-notched flexure specimen, and the mixed-mode bending specimen to simulate progressive delamination growth in Mode I, Mode II, and mixed-mode fracture, respectively. The predicted responses are compared with their analytical solutions. The results show that for single-mode fracture, the predicted responses obtained with the Abaqus cohesive element correlate well with the analytical solutions. For mixed-mode fracture, it was found that the response predicted using COH3D8 elements depends on the damage evolution criterion that is used. The energy-based criterion overpredicts the peak loads and load-deflection response. The results predicted using a tabulated form of the BK criterion correlate well with the analytical solution and with the results predicted with the user-written element.

Decalcifying capability of irrigating solutions on root canal dentin mineral content

PubMed Central

Poggio, Claudio; Dagna, Alberto; Vinci, Andrea; Beltrami, Riccardo; Cucca, Lucia; Giardino, Luciano

2015-01-01

Background: Chelating agents are believed to aid root canal irrigation and to be able to remove the inorganic smear layer. Aims: The purpose of the present study was to evaluate and to compare the decalcifying capability of different irrigating solutions (Tubuliclean, Largal Ultra, ethylenediaminetetraacetic acid 17%, Tetraclean, Tetraclean NA). Materials and Methods: Sixty maxillary central incisors were used. Root canals were instrumented and irrigated. From each root, four comparable slices of cervical dentin were obtained. At three successive 5-min interval immersion times, the concentration of calcium extracted from root canal dentin was assessed with an inductively coupled plasma-atomic emission spectrometer. Statistical Analysis Used: Data were analyzed by means of Kruskal Wallis and Mann–Whitney tests. Significance was predetermined at P < 0.05. Results and Conclusions: For all irrigating solutions, the maximum amount of Ca2+ extracted from root canal dentin samples was reached after 10 min contact time except for citric acid-based agents (Tetraclean and Tetraclean NA) which induced a higher and still increasing calcium release even after 10 min contact time. In order to obtain an efficient decalcifying action on dentin and to facilitate the biomechanical procedures, citric acid-based irrigants can be applied. PMID:26097355

Image Restoration Using Functional and Anatomical Information Fusion with Application to SPECT-MRI Images

PubMed Central

Benameur, S.; Mignotte, M.; Meunier, J.; Soucy, J. -P.

2009-01-01

Image restoration is usually viewed as an ill-posed problem in image processing, since there is no unique solution associated with it. The quality of restored image closely depends on the constraints imposed of the characteristics of the solution. In this paper, we propose an original extension of the NAS-RIF restoration technique by using information fusion as prior information with application in SPECT medical imaging. That extension allows the restoration process to be constrained by efficiently incorporating, within the NAS-RIF method, a regularization term which stabilizes the inverse solution. Our restoration method is constrained by anatomical information extracted from a high resolution anatomical procedure such as magnetic resonance imaging (MRI). This structural anatomy-based regularization term uses the result of an unsupervised Markovian segmentation obtained after a preliminary registration step between the MRI and SPECT data volumes from each patient. This method was successfully tested on 30 pairs of brain MRI and SPECT acquisitions from different subjects and on Hoffman and Jaszczak SPECT phantoms. The experiments demonstrated that the method performs better, in terms of signal-to-noise ratio, than a classical supervised restoration approach using a Metz filter. PMID:19812704

Power port contrast medium flushing and trapping: impact of temperature, an in vitro experimental study.

PubMed

Guiffant, Gérard; Durussel, Jean Jacques; Flaud, Patrice; Royon, Laurent; Marcy, Pierre Yves; Merckx, Jacques

2013-01-01

The use of totally implantable venous access devices (TIVADs) certified as "high pressure resistant" or "power port" has begun to spread worldwide as a safe procedure for power contrast injection. Owing to the thermo-rheological properties of the contrast media, the primary aim of this work is to present an in vitro experimental impact study concerning the impact of the temperature level on flushing efficiency after contrast medium injection. Moreover, we report experimental data that confirms the role of needle bevel orientation. The secondary aim is to answer the following questions: Is there significant device contrast medium trapping after contrast medium injection? Is saline flushing efficient? And, finally, is it safe to inject contrast medium through an indwelled port catheter? The experimental results show that in addition to hydrodynamics, temperature is a key parameter for the efficiency of device flushing after contrast medium injection. It appears that this is the case when the cavity is incompletely rinsed after three calibrated flushing volumes of 10 mL saline solution, even by using the Huber needle bevel opposite to the port exit. This leads to a potentially important trapped volume of contrast medium in the port, and consequently to the possibility of subsequent salt precipitates and long term trisubstituted benzene nuclei delivery that might impair the solute properties, which may be further injected via the power port later on. We thus suggest, in TIVADS patients, the use of a temporary supplementary intravenous line rather than the port to perform contrast medium injections in daily radiology routine practice.

Power port contrast medium flushing and trapping: impact of temperature, an in vitro experimental study

PubMed Central

Guiffant, Gérard; Durussel, Jean Jacques; Flaud, Patrice; Royon, Laurent; Marcy, Pierre Yves; Merckx, Jacques

2013-01-01

Purpose The use of totally implantable venous access devices (TIVADs) certified as “high pressure resistant” or “power port” has begun to spread worldwide as a safe procedure for power contrast injection. Owing to the thermo-rheological properties of the contrast media, the primary aim of this work is to present an in vitro experimental impact study concerning the impact of the temperature level on flushing efficiency after contrast medium injection. Moreover, we report experimental data that confirms the role of needle bevel orientation. The secondary aim is to answer the following questions: Is there significant device contrast medium trapping after contrast medium injection? Is saline flushing efficient? And, finally, is it safe to inject contrast medium through an indwelled port catheter? Results The experimental results show that in addition to hydrodynamics, temperature is a key parameter for the efficiency of device flushing after contrast medium injection. It appears that this is the case when the cavity is incompletely rinsed after three calibrated flushing volumes of 10 mL saline solution, even by using the Huber needle bevel opposite to the port exit. This leads to a potentially important trapped volume of contrast medium in the port, and consequently to the possibility of subsequent salt precipitates and long term trisubstituted benzene nuclei delivery that might impair the solute properties, which may be further injected via the power port later on. Conclusion We thus suggest, in TIVADS patients, the use of a temporary supplementary intravenous line rather than the port to perform contrast medium injections in daily radiology routine practice. PMID:24043959

Electronic-Imen-Delphi (EID): An Online Conferencing Procedure.

ERIC Educational Resources Information Center

Passig, David; Sharbat, Aviva

2000-01-01

Examines the efficiency of the Imen-Delphi (ID) technique as an electronic procedure for conferencing that helps participants clarify their opinions and expectations regarding preferable and possible futures. Describes an electronic version of the original ID procedure and tested its efficiency among a group of experts on virtual reality and…

Oral glucose efficacy on neonate's pain responses at the NICU: A quasi experimental trial of two clinical procedures.

PubMed

Matar, Eman M; Arabiat, Diana H; Foster, Mandie J

2016-11-01

This research was undertaken with the purpose of testing two research hypotheses regarding the efficacy of 10% oral glucose solution on procedural pain associated with venepuncture and nasopharyngeal suctioning within three neonatal intensive care units (NICU). The hypotheses were formulated from previous conclusions reached by other researchers highlighting the efficacy of sucrose solutions on neonates' pain responses during minor painful procedures. A quasi-experimental trial utilising a time series design with one group was used. Data from a total of 90 neonates included 60 neonates who underwent a venepuncture and 30 neonates who underwent a nasopharyngeal suctioning procedure for clinical purposes. The neonate's pain response for each procedure was scored using the Neonatal Pain Assessment Scale (NPAS) on two separate occasions over three time periods. The pre-procedural score (T 0 ) when the neonate received no sucrose, the inter-procedural score (T 1 ) when the neonate was given 2ml of 10% glucose solution two minutes before the procedure (intervention group) or where oral glucose was withheld (control group) and the post-procedural score (T 2 ) being at the end of the procedure. The results showed the mean NPAS scores in response to venepuncture or nasopharyngeal suctioning were significantly lower in the intervention group than the control group. This showed that oral glucose (10%) had a positive effect on the pain response during venepuncture and nasopharyngeal suctioning procedures. Copyright © 2015 Elsevier Inc. All rights reserved.

Selection of active spaces for multiconfigurational wavefunctions

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

Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

2015-06-28

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximatemore » the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.« less

Selection of active spaces for multiconfigurational wavefunctions

NASA Astrophysics Data System (ADS)

Keller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz; Reiher, Markus; Pulay, Peter

2015-06-01

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F2, ozone, and NO2), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr2). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.

Sclerotherapy with tetracycline solution for hydrocele.

PubMed

Hu, K N; Khan, A S; Gonder, M

1984-12-01

A study of sclerotherapy for hydrocele using different concentrations (10%, 5%, 2.5%) for tetracycline solution was done on 24 patients, 23 patients were cured. The effectiveness of sclerotherapy was the same for the three groups of patients with use of each different concentration of the solution. Pain was the only adverse effect. Nonspecific cellular foreign body reaction and fibrin strand proliferation were observed in the hydrocele fluid after this procedure. We consider sclerotherapy for hydrocele with tetracycline solution safe and the procedure of choice for patients in whom surgery or anesthesia is contraindicated, for patients who refuse surgery, and for economic reasons.

Parametric study of minimum reactor mass in energy-storage dc-to-dc converters

NASA Technical Reports Server (NTRS)

Wong, R. C.; Owen, H. A., Jr.; Wilson, T. G.

1981-01-01

Closed-form analytical solutions for the design equations of a minimum-mass reactor for a two-winding voltage-or-current step-up converter are derived. A quantitative relationship between the three parameters - minimum total reactor mass, maximum output power, and switching frequency - is extracted from these analytical solutions. The validity of the closed-form solution is verified by a numerical minimization procedure. A computer-aided design procedure using commercially available toroidal cores and magnet wires is also used to examine how the results from practical designs follow the predictions of the analytical solutions.

30 CFR 7.102 - Exhaust gas cooling efficiency test.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Exhaust gas cooling efficiency test. 7.102 Section 7.102 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR TESTING....102 Exhaust gas cooling efficiency test. (a) Test procedures. (1) Follow the procedures specified in...

Radiolabeling of DOTA-like conjugated peptides with generator-produced 68Ga and using NaCl-based cationic elution method

PubMed Central

Mueller, Dirk; Breeman, Wouter A P; Klette, Ingo; Gottschaldt, Michael; Odparlik, Andreas; Baehre, Manfred; Tworowska, Izabela; Schultz, Michael K

2017-01-01

Gallium-68 (68Ga) is a generator-produced radionuclide with a short half-life (t½ = 68 min) that is particularly well suited for molecular imaging by positron emission tomography (PET). Methods have been developed to synthesize 68Ga-labeled imaging agents possessing certain drawbacks, such as longer synthesis time because of a required final purification step, the use of organic solvents or concentrated hydrochloric acid (HCl). In our manuscript, we provide a detailed protocol for the use of an advantageous sodium chloride (NaCl)-based method for radiolabeling of chelator-modified peptides for molecular imaging. By working in a lead-shielded hot-cell system, 68Ga3+ of the generator eluate is trapped on a cation exchanger cartridge (100 mg, ∼8 mm long and 5 mm diameter) and then eluted with acidified 5 M NaCl solution directly into a sodium acetate-buffered solution containing a DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) or DOTA-like chelator-modified peptide. The main advantages of this procedure are the high efficiency and the absence of organic solvents. It can be applied to a variety of peptides, which are stable in 1 M NaCl solution at a pH value of 3–4 during reaction. After labeling, neutralization, sterile filtration and quality control (instant thin-layer chromatography (iTLC), HPLC and pH), the radiopharmaceutical can be directly administered to patients, without determination of organic solvents, which reduces the overall synthesis-to-release time. This procedure has been adapted easily to automated synthesis modules, which leads to a rapid preparation of 68Ga radiopharmaceuticals (12–16 min). PMID:27172166

Physical state of poorly water soluble therapeutic molecules loaded into SBA-15 ordered mesoporous silica carriers: a case study with itraconazole and ibuprofen.

PubMed

Mellaerts, Randy; Jammaer, Jasper A G; Van Speybroeck, Michiel; Chen, Hong; Van Humbeeck, Jan; Augustijns, Patrick; Van den Mooter, Guy; Martens, Johan A

2008-08-19

The ordered mesoporous silica material SBA-15 was loaded with the model drugs itraconazole and ibuprofen using three different procedures: (i) adsorption from solution, (ii) incipient wetness impregnation, and (iii) heating of a mixture of drug and SBA-15 powder. The location of the drug molecules in the SBA-15 particles and molecular interactions were investigated using nitrogen adsorption, TGA, DSC, DRS UV-vis, and XPS. The in vitro release of hydrophobic model drugs was evaluated in an aqueous environment simulating gastric fluid. The effectiveness of the loading method was found to be strongly compound dependent. Incipient wetness impregnation using a concentrated itraconazole solution in dichloromethane followed by solvent evaporation was most efficient for dispersing itraconazole in SBA-15. The itraconazole molecules were located on the mesopore walls and inside micropores of the mesopore walls. When SBA-15 was loaded by slurrying it in a diluted itraconazole solution from which the solvent was evaporated, the itraconazole molecules ended up in the mesopores that they plugged locally. At a loading of 30 wt %, itraconazole exhibited intermolecular interactions inside the mesopores revealed by UV spectroscopy and endothermic events traced with DSC. The physical mixing of itraconazole and SBA-15 powder followed by heating above the itraconazole melting temperature resulted in formulations in which glassy itraconazole particles were deposited externally on the SBA-15 particles. Loading with ibuprofen was successful with each of the three loading procedures. Ibuprofen preferably is positioned inside the micropores. In vitro release experiments showed fast release kinetics provided the drug molecules were evenly deposited over the mesoporous surface.

Radiolabeling of DOTA-like conjugated peptides with generator-produced (68)Ga and using NaCl-based cationic elution method.

PubMed

Mueller, Dirk; Breeman, Wouter A P; Klette, Ingo; Gottschaldt, Michael; Odparlik, Andreas; Baehre, Manfred; Tworowska, Izabela; Schultz, Michael K

2016-06-01

Gallium-68 ((68)Ga) is a generator-produced radionuclide with a short half-life (t½ = 68 min) that is particularly well suited for molecular imaging by positron emission tomography (PET). Methods have been developed to synthesize (68)Ga-labeled imaging agents possessing certain drawbacks, such as longer synthesis time because of a required final purification step, the use of organic solvents or concentrated hydrochloric acid (HCl). In our manuscript, we provide a detailed protocol for the use of an advantageous sodium chloride (NaCl)-based method for radiolabeling of chelator-modified peptides for molecular imaging. By working in a lead-shielded hot-cell system,(68)Ga(3+) of the generator eluate is trapped on a cation exchanger cartridge (100 mg, ∼8 mm long and 5 mm diameter) and then eluted with acidified 5 M NaCl solution directly into a sodium acetate-buffered solution containing a DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) or DOTA-like chelator-modified peptide. The main advantages of this procedure are the high efficiency and the absence of organic solvents. It can be applied to a variety of peptides, which are stable in 1 M NaCl solution at a pH value of 3-4 during reaction. After labeling, neutralization, sterile filtration and quality control (instant thin-layer chromatography (iTLC), HPLC and pH), the radiopharmaceutical can be directly administered to patients, without determination of organic solvents, which reduces the overall synthesis-to-release time. This procedure has been adapted easily to automated synthesis modules, which leads to a rapid preparation of (68)Ga radiopharmaceuticals (12-16 min).

[Transurethral resection of bladder tumors and prostate enlargement in physiological saline solution (TURIS). A prospective study].

PubMed

Rose, A; Suttor, S; Goebell, P J; Rossi, R; Rübben, H

2007-09-01

Transurethral resection in a conductive irrigant medium is a new procedure in the surgical therapy of bladder tumors and prostate enlargement. In this prospective randomized trial we compared conventional TUR with TUR in saline regarding safety and efficiency. Between November 2004 and February 2005 a total number of 128 patients were included in this study. After randomization 58 patients were treated by conventional TUR and 70 patients by TURIS (Olympus, SurgMasterSystem). We evaluated resection time, weight of resected tissue, complications, blood loss, changes in serum sodium, and duration of catheterization. Among the tested procedures no statistically significant difference could be observed concerning blood loss, change of serum sodium, and complications. The mean weight of resected tissue of the prostate per time was 0.9 g/min with the TUR procedure and 0.8 g/min with the TURIS procedure. Severe complications like TUR syndrome or perforation of the bladder were not observed at all. In the TURIS group time until catheter removal was longer but also the mean weight of resected tissue of the prostate was higher in the TURIS group (42 g) than in the conventional TUR group (31 g). Transurethral resection in a conductive irrigant medium (TURIS) can be considered as a safe and effective surgical procedure in the treatment of BPH and superficial urothelial carcinoma. Moreover the risk of TUR syndrome and perforation of the bladder due to nerve stimulation is reduced.

Sensitivity calculations for iteratively solved problems

NASA Technical Reports Server (NTRS)

Haftka, R. T.

1985-01-01

The calculation of sensitivity derivatives of solutions of iteratively solved systems of algebraic equations is investigated. A modified finite difference procedure is presented which improves the accuracy of the calculated derivatives. The procedure is demonstrated for a simple algebraic example as well as an element-by-element preconditioned conjugate gradient iterative solution technique applied to truss examples.

Mechanical Energy Harvesting Performance of Ferroelectric Polymer Nanowires Grown via Template‐Wetting

PubMed Central

Whiter, Richard A.; Boughey, Chess; Smith, Michael

2018-01-01

Abstract Nanowires of the ferroelectric co‐polymer poly(vinylidenefluoride‐co‐triufloroethylene) [P(VDF‐TrFE)] are fabricated from solution within nanoporous templates of both “hard” anodic aluminium oxide (AAO) and “soft” polyimide (PI) through a facile and scalable template‐wetting process. The confined geometry afforded by the pores of the templates leads directly to highly crystalline P(VDF‐TrFE) nanowires in a macroscopic “poled” state that precludes the need for external electrical poling procedure typically required for piezoelectric performance. The energy‐harvesting performance of nanogenerators based on these template‐grown nanowires are extensively studied and analyzed in combination with finite element modelling. Both experimental results and computational models probing the role of the templates in determining overall nanogenerator performance, including both materials and device efficiencies, are presented. It is found that although P(VDF‐TrFE) nanowires grown in PI templates exhibit a lower material efficiency due to lower crystallinity as compared to nanowires grown in AAO templates, the overall device efficiency was higher for the PI‐template‐based nanogenerator because of the lower stiffness of the PI template as compared to the AAO template. This work provides a clear framework to assess the energy conversion efficiency of template‐grown piezoelectric nanowires and paves the way towards optimization of template‐based nanogenerator devices.

Rapid and efficient proteolysis through laser-assisted immobilized enzyme reactors.

PubMed

Zhang, Peng; Gao, Mingxia; Zhu, Shaochun; Lei, Jie; Zhang, Xiangmin

2011-11-25

In this report, laser radiation (808nm) for the first time was employed to enhance the efficiency of proteolysis through immobilized enzyme reactor (IMER). IMER based monolithic support was prepared in the fused-silica capillary via a simple two-step procedure including acryloylation on trypsin surface and in situ aqueous polymerization/immobilization. The feasibility and high efficiency of the laser-assisted IMER were demonstrated by the digestion of bovine serum albumin (BSA), cytochrome c (Cyt-c) and β-casein. The digestion process was achieved in 60s. The peptides were identified by MALDI-TOF-MS, yielding the sequence coverage of 33% for BSA, 73% for Cyt-c and 22% for β-casein. The comparisons between the in-solution digestion and on IMER reaction with/without laser assistance were made. To further confirm its efficiency in proteome analysis, the laser-assisted IMER was also applied to the analysis of one fraction of human serum sample through two-dimensional (2-D) separation of strong anion exchange/reversed-phase liquid chromatography (SAX/RPLC). After a database search, 49 unique peptides corresponding to 5 proteins were identified. The results showed that the laser-assisted IMER provides a promising platform for the high-throughput protein identification. Copyright © 2011 Elsevier B.V. All rights reserved.

Enhanced UV light detection using a p-terphenyl wavelength shifter

NASA Astrophysics Data System (ADS)

Joosten, S.; Kaczanowicz, E.; Ungaro, M.; Rehfuss, M.; Johnston, K.; Meziani, Z.-E.

2017-10-01

UV-glass photomultiplier tubes (PMTs) have poor photon detection efficiency for wavelengths below 300 nm due to the opaqueness of the window material. Costly quartz PMTs could be used to enhance the efficiency below 300 nm. A less expensive solution that dramatically improves this efficiency is the application of a thin film of a p-terphenyl (PT) wavelength shifter on UV-glass PMTs. This improvement was quantified for Photonis XP4500B PMTs for wavelengths between 200 nm and 400 nm. The gain factor ranges up to 5 . 4 ± 0 . 5 at a wavelength of 215 nm, with a material load of 110 ± 10 μg /cm2 (894 nm). The wavelength shifter was found to be fully transparent for wavelengths greater than 300 nm. The resulting gain in detection efficiency, when used in a typical C̆erenkov counter, was estimated to be of the order of 40%. Consistent coating quality was assured by a rapid gain testing procedure using narrow-band UV LEDs. Based on these results, 200 Photonis XP4500B PMTs were treated with PT for the upgraded low-threshold C̆erenkov counter (LTCC) to be used in the CEBAF Large Acceptance Spectrometer upgraded detector (CLAS12) at the Thomas Jefferson National Accelerator Facility.

Superior stability for perovskite solar cells with 20% efficiency using vacuum co-evaporation.

PubMed

Zhu, Xuejie; Yang, Dong; Yang, Ruixia; Yang, Bin; Yang, Zhou; Ren, Xiaodong; Zhang, Jian; Niu, Jinzhi; Feng, Jiangshan; Liu, Shengzhong Frank

2017-08-31

Chemical composition and film quality are two key figures of merit for large-area high-efficiency perovskite solar cells. To date, all studies on mixed perovskites have used solution-processing, which results in imperfect surface coverage and pin-holes generated during solvent evaporation, execrably influencing the stability and efficiency of perovskite solar cells. Herein, we report our development using a vacuum co-evaporation deposition method to fabricate pin-hole-free cesium (Cs)-substituted perovskite films with complete surface coverage. Apart from the simplified procedure, the present method also promises tunable band gap, reduced trap-state density and longer carrier lifetime, leading to solar cell efficiency as high as 20.13%, which is among the highest reported for planar perovskite solar cells. The splendid performance is attributed to superior merits of the Cs-substituted perovskite film including tunable band gap, reduced trap-state density and longer carrier lifetime. Moreover, the Cs-substituted perovskite device without encapsulation exhibits significantly higher stability in ambient air compared with the single-component counterpart. When the Cs-substituted perovskite solar cells are stored in dark for one year, the PCE remains at 19.25%, degrading only 4.37% of the initial efficiency. The excellent stability originates from reduced lattice constant and relaxed strain in perovskite lattice by incorporating Cs cations into the crystal lattice, as demonstrated by the positive peak shifts and reduced peak width in X-ray diffraction analysis.

An arbitrary high-order Discontinuous Galerkin method for elastic waves on unstructured meshes - III. Viscoelastic attenuation

NASA Astrophysics Data System (ADS)

Käser, Martin; Dumbser, Michael; de la Puente, Josep; Igel, Heiner

2007-01-01

We present a new numerical method to solve the heterogeneous anelastic, seismic wave equations with arbitrary high order accuracy in space and time on 3-D unstructured tetrahedral meshes. Using the velocity-stress formulation provides a linear hyperbolic system of equations with source terms that is completed by additional equations for the anelastic functions including the strain history of the material. These additional equations result from the rheological model of the generalized Maxwell body and permit the incorporation of realistic attenuation properties of viscoelastic material accounting for the behaviour of elastic solids and viscous fluids. The proposed method combines the Discontinuous Galerkin (DG) finite element (FE) method with the ADER approach using Arbitrary high order DERivatives for flux calculations. The DG approach, in contrast to classical FE methods, uses a piecewise polynomial approximation of the numerical solution which allows for discontinuities at element interfaces. Therefore, the well-established theory of numerical fluxes across element interfaces obtained by the solution of Riemann problems can be applied as in the finite volume framework. The main idea of the ADER time integration approach is a Taylor expansion in time in which all time derivatives are replaced by space derivatives using the so-called Cauchy-Kovalewski procedure which makes extensive use of the governing PDE. Due to the ADER time integration technique the same approximation order in space and time is achieved automatically and the method is a one-step scheme advancing the solution for one time step without intermediate stages. To this end, we introduce a new unrolled recursive algorithm for efficiently computing the Cauchy-Kovalewski procedure by making use of the sparsity of the system matrices. The numerical convergence analysis demonstrates that the new schemes provide very high order accuracy even on unstructured tetrahedral meshes while computational cost and storage space for a desired accuracy can be reduced when applying higher degree approximation polynomials. In addition, we investigate the increase in computing time, when the number of relaxation mechanisms due to the generalized Maxwell body are increased. An application to a well-acknowledged test case and comparisons with analytic and reference solutions, obtained by different well-established numerical methods, confirm the performance of the proposed method. Therefore, the development of the highly accurate ADER-DG approach for tetrahedral meshes including viscoelastic material provides a novel, flexible and efficient numerical technique to approach 3-D wave propagation problems including realistic attenuation and complex geometry.

78 FR 17925 - Energy Conservation Program for Consumer Products: Decision and Order Granting a Waiver to BSH...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-25

... test procedures that are reasonably designed to produce results that measure energy efficiency, energy... contains one or more design characteristics that prevent testing according to the prescribed test procedure... Department of Energy Residential Dishwasher Test Procedure AGENCY: Office of Energy Efficiency and Renewable...

78 FR 17927 - Energy Conservation Program for Consumer Products: Decision and Order Granting a Waiver to BSH...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-25

... test procedures that are reasonably designed to produce results that measure energy efficiency, energy... contains one or more design characteristics that prevent testing according to the prescribed test procedure... Department of Energy Residential Dishwasher Test Procedure AGENCY: Office of Energy Efficiency and Renewable...

Non-linear Multidimensional Optimization for use in Wire Scanner Fitting

NASA Astrophysics Data System (ADS)

Henderson, Alyssa; Terzic, Balsa; Hofler, Alicia; CASA and Accelerator Ops Collaboration

2013-10-01

To ensure experiment efficiency and quality from the Continuous Electron Beam Accelerator at Jefferson Lab, beam energy, size, and position must be measured. Wire scanners are devices inserted into the beamline to produce measurements which are used to obtain beam properties. Extracting physical information from the wire scanner measurements begins by fitting Gaussian curves to the data. This study focuses on optimizing and automating this curve-fitting procedure. We use a hybrid approach combining the efficiency of Newton Conjugate Gradient (NCG) method with the global convergence of three nature-inspired (NI) optimization approaches: genetic algorithm, differential evolution, and particle-swarm. In this Python-implemented approach, augmenting the locally-convergent NCG with one of the globally-convergent methods ensures the quality, robustness, and automation of curve-fitting. After comparing the methods, we establish that given an initial data-derived guess, each finds a solution with the same chi-square- a measurement of the agreement of the fit to the data. NCG is the fastest method, so it is the first to attempt data-fitting. The curve-fitting procedure escalates to one of the globally-convergent NI methods only if NCG fails, thereby ensuring a successful fit. This method allows for the most optimal signal fit and can be easily applied to similar problems. Financial support from DoE, NSF, ODU, DoD, and Jefferson Lab.

Laparoscopic Longitudinal Pancreaticojejunostomy Using Barbed Sutures: an Efficient and Secure Solution for Pancreatic Duct Obstructions in Patients with Chronic Pancreatitis.

PubMed

Kim, Eun Young; Hong, Tae Ho

2016-04-01

We describe our laparoscopic longitudinal pancreaticojejunostomy (LPJ) technique using barbed sutures to manage a pancreatic duct obstruction. We performed laparoscopic longitudinal anterior pancreaticojejunostomy using barbed sutures (3-0 absorbable wound closure device, V-Loc, Covidien, Minneapolis, MN, USA) in 11 patients who presented with signs of a pancreas ductal obstruction and chronic pancreatitis. The surgical outcomes and follow-up records at the outpatient department were reviewed, and the effectiveness and feasibility of this method were analyzed. Mean patient age was 54.4 ± 9.5 years, and pancreatic duct stones were removed from all patients without conversion to laparotomy. Overall operative time was 200.7 ± 56.4 min, and estimated blood loss was 42.2 ± 11.2 ml. No pancreatic anastomosis leakage or postoperative bleeding was detected. Mean length of hospital stay was 6.5 ± 0.8 days, and mean time to start a soft diet was 4.8 ± 0.7 days. No patient complained of postoperative abdominal pain, and all patients recovered without significant complications or relapse of pancreatitis. The follow-up period was 4-21 months. Our new laparoscopic longitudinal anterior pancreaticojejunostomy technique (Puestow procedure) using barbed sutures is a potentially efficient and minimally invasive procedure for patients who suffer from pancreatic duct obstruction and chronic pancreatitis.

a Workflow for UAV's Integration Into a Geodesign Platform

NASA Astrophysics Data System (ADS)

Anca, P.; Calugaru, A.; Alixandroae, I.; Nazarie, R.

2016-06-01

This paper presents a workflow for the development of various Geodesign scenarios. The subject is important in the context of identifying patterns and designing solutions for a Smart City with optimized public transportation, efficient buildings, efficient utilities, recreational facilities a.s.o.. The workflow describes the procedures starting with acquiring data in the field, data processing, orthophoto generation, DTM generation, integration into a GIS platform and analyzing for a better support for Geodesign. Esri's City Engine is used mostly for 3D modeling capabilities that enable the user to obtain 3D realistic models. The workflow uses as inputs information extracted from images acquired using UAVs technologies, namely eBee, existing 2D GIS geodatabases, and a set of CGA rules. The method that we used further, is called procedural modeling, and uses rules in order to extrude buildings, the street network, parcel zoning and side details, based on the initial attributes from the geodatabase. The resulted products are various scenarios for redesigning, for analyzing new exploitation sites. Finally, these scenarios can be published as interactive web scenes for internal, groups or pubic consultation. In this way, problems like the impact of new constructions being build, re-arranging green spaces or changing routes for public transportation, etc. are revealed through impact and visibility analysis or shadowing analysis and are brought to the citizen's attention. This leads to better decisions.

A study of natural circulation in the evaporator of a horizontal-tube heat recovery steam generator

NASA Astrophysics Data System (ADS)

Roslyakov, P. V.; Pleshanov, K. A.; Sterkhov, K. V.

2014-07-01

Results obtained from investigations of stable natural circulation in an intricate circulation circuit with a horizontal layout of the tubes of evaporating surface having a negative useful head are presented. The possibility of making a shift from using multiple forced circulation organized by means of a circulation pump to natural circulation in vertical heat recovery steam generator is estimated. Criteria for characterizing the performance reliability and efficiency of a horizontal evaporator with negative useful head are proposed. The influence of various design solutions on circulation robustness is considered. With due regard of the optimal parameters, the most efficient and least costly methods are proposed for achieving more stable circulation in a vertical heat recovery steam generator when a shift is made from multiple forced to natural circulation. A procedure for calculating the circulation parameters and an algorithm for checking evaporator performance reliability are developed, and recommendations for the design of heat recovery steam generator, nonheated parts of natural circulation circuit, and evaporating surface are suggested.