The ozone depletion potentials on halocarbons: Their dependence of calculation assumptions

NASA Technical Reports Server (NTRS)

Karol, Igor L.; Kiselev, Andrey A.

1994-01-01

The concept of Ozone Depletion Potential (ODP) is widely used in the evaluation of numerous halocarbons and of their replacement effects on ozone, but the methods, assumptions and conditions used in ODP calculations have not been analyzed adequately. In this paper a model study of effects on ozone of the instantaneous releases of various amounts of CH3CCl3 and of CHF2Cl (HCFC-22) for several compositions of the background atmosphere are presented, aimed at understanding connections of ODP values with the assumptions used in their calculations. To facilitate the ODP computation in numerous versions for the long time periods after their releases, the above rather short-lived gases and the one-dimensional radiative photochemical model of the global annually averaged atmospheric layer up to 50 km height are used. The variation of released gas global mass from 1 Mt to 1 Gt leads to ODP value increase with its stabilization close to the upper bound of this range in the contemporary atmosphere. The same variations are analyzed for conditions of the CFC-free atmosphere of 1960's and for the anthropogenically loaded atmosphere in the 21st century according to the known IPCC 'business as usual' scenario. Recommendations for proper ways of ODP calculations are proposed for practically important cases.

Numerical solution of the Navier-Stokes equations by discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Krasnov, M. M.; Kuchugov, P. A.; E Ladonkina, M.; E Lutsky, A.; Tishkin, V. F.

2017-02-01

Detailed unstructured grids and numerical methods of high accuracy are frequently used in the numerical simulation of gasdynamic flows in areas with complex geometry. Galerkin method with discontinuous basis functions or Discontinuous Galerkin Method (DGM) works well in dealing with such problems. This approach offers a number of advantages inherent to both finite-element and finite-difference approximations. Moreover, the present paper shows that DGM schemes can be viewed as Godunov method extension to piecewise-polynomial functions. As is known, DGM involves significant computational complexity, and this brings up the question of ensuring the most effective use of all the computational capacity available. In order to speed up the calculations, operator programming method has been applied while creating the computational module. This approach makes possible compact encoding of mathematical formulas and facilitates the porting of programs to parallel architectures, such as NVidia CUDA and Intel Xeon Phi. With the software package, based on DGM, numerical simulations of supersonic flow past solid bodies has been carried out. The numerical results are in good agreement with the experimental ones.

Nonlinear dispersion effects in elastic plates: numerical modelling and validation

NASA Astrophysics Data System (ADS)

Kijanka, Piotr; Radecki, Rafal; Packo, Pawel; Staszewski, Wieslaw J.; Uhl, Tadeusz; Leamy, Michael J.

2017-04-01

Nonlinear features of elastic wave propagation have attracted significant attention recently. The particular interest herein relates to complex wave-structure interactions, which provide potential new opportunities for feature discovery and identification in a variety of applications. Due to significant complexity associated with wave propagation in nonlinear media, numerical modeling and simulations are employed to facilitate design and development of new measurement, monitoring and characterization systems. However, since very high spatio- temporal accuracy of numerical models is required, it is critical to evaluate their spectral properties and tune discretization parameters for compromise between accuracy and calculation time. Moreover, nonlinearities in structures give rise to various effects that are not present in linear systems, e.g. wave-wave interactions, higher harmonics generation, synchronism and | recently reported | shifts to dispersion characteristics. This paper discusses local computational model based on a new HYBRID approach for wave propagation in nonlinear media. The proposed approach combines advantages of the Local Interaction Simulation Approach (LISA) and Cellular Automata for Elastodynamics (CAFE). The methods are investigated in the context of their accuracy for predicting nonlinear wavefields, in particular shifts to dispersion characteristics for finite amplitude waves and secondary wavefields. The results are validated against Finite Element (FE) calculations for guided waves in copper plate. Critical modes i.e., modes determining accuracy of a model at given excitation frequency - are identified and guidelines for numerical model parameters are proposed.

A simple and accurate method for calculation of the structure factor of interacting charged spheres.

PubMed

Wu, Chu; Chan, Derek Y C; Tabor, Rico F

2014-07-15

Calculation of the structure factor of a system of interacting charged spheres based on the Ginoza solution of the Ornstein-Zernike equation has been developed and implemented on a stand-alone spreadsheet. This facilitates direct interactive numerical and graphical comparisons between experimental structure factors with the pioneering theoretical model of Hayter-Penfold that uses the Hansen-Hayter renormalisation correction. The method is used to fit example experimental structure factors obtained from the small-angle neutron scattering of a well-characterised charged micelle system, demonstrating that this implementation, available in the supplementary information, gives identical results to the Hayter-Penfold-Hansen approach for the structure factor, S(q) and provides direct access to the pair correlation function, g(r). Additionally, the intermediate calculations and outputs can be readily accessed and modified within the familiar spreadsheet environment, along with information on the normalisation procedure. Copyright © 2014 Elsevier Inc. All rights reserved.

Simple Numerical Modelling for Gasdynamic Design of Wave Rotors

NASA Astrophysics Data System (ADS)

Okamoto, Koji; Nagashima, Toshio

The precise estimation of pressure waves generated in the passages is a crucial factor in wave rotor design. However, it is difficult to estimate the pressure wave analytically, e.g. by the method of characteristics, because the mechanism of pressure-wave generation and propagation in the passages is extremely complicated as compared to that in a shock tube. In this study, a simple numerical modelling scheme was developed to facilitate the design procedure. This scheme considers the three dominant factors in the loss mechanism —gradual passage opening, wall friction and leakage— for simulating the pressure waves precisely. The numerical scheme itself is based on the one-dimensional Euler equations with appropriate source terms to reduce the calculation time. The modelling of these factors was verified by comparing the results with those of a two-dimensional numerical simulation, which were previously validated by the experimental data in our previous study. Regarding wave rotor miniaturization, the leakage flow effect, which involves the interaction between adjacent cells, was investigated extensively. A port configuration principle was also examined and analyzed in detail to verify the applicability of the present numerical modelling scheme to the wave rotor design.

Principles of Product Quality Control of German Radioactive Waste Forms from the Reprocessing of Spent Fuel: Vitrification, Compaction and Numerical Simulation - 12529

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

Tietze-Jaensch, Holger; Schneider, Stephan; Aksyutina, Yuliya

2012-07-01

The German product quality control is inter alia responsible for control of two radioactive waste forms of heat generating waste: a) homogeneous vitrified HLW and b) heterogeneous compacted hulls, end-pieces and technological metallic waste. In either case, significantly different metrology is employed at the site of the conditioning plant for the obligatory nuclide inventory declaration. To facilitate an independent evaluation and checking of the accompanying documentation numerical simulations are carried out. The physical and chemical properties of radioactive waste residues are used to assess the data consistency and uncertainty margins, as well as to predict the long-term behavior of themore » radioactive waste. This is relevant for repository acceptance and safety considerations. Our new numerical approach follows a bottom-up simulation starting from the burn-up behavior of the fuel elements in the reactor core. The output of these burn-up calculations is then coupled with a program that simulates the material separation in the subsequent dissolution and extraction processes normalized to the mass balance. Follow-up simulations of the separated reprocessing lines of a) the vitrification of highly-active liquid and b) the compaction of residual intermediate-active metallic hulls remaining after fuel pellets dissolution, end-pieces and technological waste, allows calculating expectation values for the various repository relevant properties of either waste stream. The principles of the German product quality control of radioactive waste residues from the spent fuel reprocessing have been introduced and explained. Namely, heat generating homogeneous vitrified HLW and heterogeneous compacted metallic MLW have been discussed. The advantages of a complementary numerical property simulation have been made clear and examples of benefits are presented. We have compiled a new program suite to calculate the physical and radio-chemical properties of common nuclear waste residues. The immediate benefit is the independent assessment of radio-active inventory declarations and much facilitated product quality control of waste residues that need to be returned to Germany and submitted to a German HLW-repository requirements. Wherever possible, internationally accepted standard programs are used and embedded. The innovative coupling of burn-up calculations (SCALE) with neutron and gamma transport codes (MCPN-X) allows an application in the world of virtual waste properties. If-then-else scenarios of hypothetical waste material compositions and distributions provide valuable information of long term nuclide property propagation under repository conditions over a very long time span. Benchmarking the program with real residue data demonstrates the power and remarkable accuracy of this numerical approach, boosting the reliability of the confidence aforementioned numerous applications, namely the proof tool set for on-the-spot production quality checking and data evaluation and independent verification. Moreover, using the numerical bottom-up approach helps to avoid the accumulation of fake activities that may gradually build up in a repository from the so-called conservative or penalizing nuclide inventory declarations. The radioactive waste properties and the hydrolytic and chemical stability can be predicted. The interaction with invasive chemicals can be assessed and propagation scenarios can be developed from reliable and sound data and HLW properties. Hence, the appropriate design of a future HLW repository can be based upon predictable and quality assured waste characteristics. (authors)« less

Calculation of subsonic and supersonic steady and unsteady aerodynamic forces using velocity potential aerodynamic elements

NASA Technical Reports Server (NTRS)

Haviland, J. K.; Yoo, Y. S.

1976-01-01

Expressions for calculation of subsonic and supersonic, steady and unsteady aerodynamic forces are derived, using the concept of aerodynamic elements applied to the downwash velocity potential method. Aerodynamic elements can be of arbitrary out of plane polygon shape, although numerical calculations are restricted to rectangular elements, and to the steady state case in the supersonic examples. It is suggested that the use of conforming, in place of rectangular elements, would give better results. Agreement with results for subsonic oscillating T tails is fair, but results do not converge as the number of collocation points is increased. This appears to be due to the form of expression used in the calculations. The methods derived are expected to facilitate automated flutter analysis on the computer. In particular, the aerodynamic element concept is consistent with finite element methods already used for structural analysis. The method is universal for the complete Mach number range, and, finally, the calculations can be arranged so that they do not have to be repeated completely for every reduced frequency.

Optimal Information Processing in Biochemical Networks

NASA Astrophysics Data System (ADS)

Wiggins, Chris

2012-02-01

A variety of experimental results over the past decades provide examples of near-optimal information processing in biological networks, including in biochemical and transcriptional regulatory networks. Computing information-theoretic quantities requires first choosing or computing the joint probability distribution describing multiple nodes in such a network --- for example, representing the probability distribution of finding an integer copy number of each of two interacting reactants or gene products while respecting the `intrinsic' small copy number noise constraining information transmission at the scale of the cell. I'll given an overview of some recent analytic and numerical work facilitating calculation of such joint distributions and the associated information, which in turn makes possible numerical optimization of information flow in models of noisy regulatory and biochemical networks. Illustrating cases include quantification of form-function relations, ideal design of regulatory cascades, and response to oscillatory driving.

Sources of Individual Differences in Emerging Competence With Numeration Understanding Versus Multidigit Calculation Skill

PubMed Central

Fuchs, Lynn S.; Geary, David C.; Fuchs, Douglas; Compton, Donald L.; Hamlett, Carol L.

2014-01-01

This study investigated contributions of general cognitive abilities and foundational mathematical competencies to numeration understanding (i.e., base-10 structure) versus multidigit calculation skill. Children (n = 394, M = 6.5 years) were assessed on general cognitive abilities and foundational numerical competencies at start of 1st grade; on the same numerical competencies, multidigit calculation skill, and numeration understanding at end of 2nd grade; and on multidigit calculation skill and numeration understanding at end of 3rd grade. Path-analytic mediation analysis revealed that general cognitive predictors exerted more direct and more substantial effects on numeration understanding than on multidigit calculations. Foundational mathematics competencies contributed to both outcomes, but largely via 2nd-grade mathematics achievement, and results suggest a mutually supportive role between numeration understanding and multidigit calculations. PMID:25284885

Targeted Assessment for Prevention of Healthcare-Associated Infections: A New Prioritization Metric.

PubMed

Soe, Minn M; Gould, Carolyn V; Pollock, Daniel; Edwards, Jonathan

2015-12-01

To develop a method for calculating the number of healthcare-associated infections (HAIs) that must be prevented to reach a HAI reduction goal and identifying and prioritizing healthcare facilities where the largest reductions can be achieved. Acute care hospitals that report HAI data to the Centers for Disease Control and Prevention's National Healthcare Safety Network. METHODS :The cumulative attributable difference (CAD) is calculated by subtracting a numerical prevention target from an observed number of HAIs. The prevention target is the product of the predicted number of HAIs and a standardized infection ratio goal, which represents a HAI reduction goal. The CAD is a numeric value that if positive is the number of infections to prevent to reach the HAI reduction goal. We calculated the CAD for catheter-associated urinary tract infections for each of the 3,639 hospitals that reported such data to National Healthcare Safety Network in 2013 and ranked the hospitals by their CAD values in descending order. Of 1,578 hospitals with positive CAD values, preventing 10,040 catheter-associated urinary tract infections at 293 hospitals (19%) with the highest CAD would enable achievement of the national 25% catheter-associated urinary tract infection reduction goal. The CAD is a new metric that facilitates ranking of facilities, and locations within facilities, to prioritize HAI prevention efforts where the greatest impact can be achieved toward a HAI reduction goal.

Accretion rates of protoplanets

NASA Astrophysics Data System (ADS)

Greenzweig, Yuval

The giant planets' solid cores must have formed prior to the dispersal of the primordial solar nebula, to allow the capture of their massive, gaseous envelopes from the nebula. Recent observations of disks of dust surrounding nearby solar-like stars lead to estimates of nebula lifetimes at 106 to 107 years. Thus, theories of solid particle accretion must explain how the solid cores of the giant planets may have formed within comparable timescales. Calculations are presented which support the sole currently hypothesized mechanism of planetary accretion in which the duration of the stage of growth from planetesimals (1 to 10 km size bodies) to moon- or planet-size bodies lies within the widely accepted time constraint mentioned above. It has been shown that under certain conditions a growth advantage is given to the larger bodies of a swarm of Sun-orbiting planetesimals, resulting in runaway growth of the largest body (or bodies) in the swarm. The gravitational cross section of the protoplanet (the largest body in the swarm) increases with its size, eventually requiring the inclusion of the effect of the solar tidal force on the interaction between it and a passing planetesimal. Thus, numerical integrations of the three-body problem (Sun, protoplanet and planetesimal) are needed to determine the accretion rates of protoplanets. Existing analytical formulas are refined for the two-body (no solar tidal force) accretion rates of planetesimals or small protoplanets, and numerically derives the three-body accretion rates of large protoplanets. The three-body accretion rates calculated span a wide range of protoplanetary orbital radii, masses, and densities, and a wide range of planetesimal orbital eccentricities and inclinations. The most useful numerical results are approximated by algebraic expressions, to facilitate their use in accretion calculations, particularly by numerical codes. Since planetary accretion rates depend strongly on planetesimal random velocities, the effect of the three body encounter on the velocity dispersion was also studied. It was found that protoplanets are more effective perturbers of planetesimal eccentricities than previously noted.

Reactive flow calibration for diaminoazoxyfurazan (DAAF) and comparison with experiment

NASA Astrophysics Data System (ADS)

Johnson, Carl; Francois, Elizabeth Green; Morris, John

2012-03-01

Diaminoazoxyfurazan (DAAF) has a number of desirable properties; it is sensitive to shock while being insensitive to initiation by low level impact or friction, it has a small failure diameter, and its manufacturing process is inexpensive with minimal environmental impact. In light of its unique properties, DAAF based materials have gained interest for possible applications in insensitive munitions. In order to facilitate hydrocode modeling of DAAF and DAAF based formulations, we have developed a set of reactive flow parameters which were calibrated using published experimental data as well as recent experiments at LANL. Hydrocode calculations using the DAAF reactive flow parameters developed in the course of this work were compared to rate stick experiments, small scale gap tests, as well as the Onionskin experiment. Hydrocode calculations were compared directly to streak image results using numerous tracer points in conjunction with an external algorithm to match the data sets. The calculations display a reasonable agreement with experiment with the exception of effects related to shock desensitization of explosive.

Rovibrational bound states of SO2 isotopologues. I: Total angular momentum J = 0-10

NASA Astrophysics Data System (ADS)

Kumar, Praveen; Ellis, Joseph; Poirier, Bill

2015-04-01

Isotopic variation of the rovibrational bound states of SO2 for the four stable sulfur isotopes 32-34,36S is investigated in comprehensive detail. In a two-part series, we compute the low-lying energy levels for all values of total angular momentum in the range J = 0-20. All rovibrational levels are computed, to an extremely high level of numerical convergence. The calculations have been carried out using the ScalIT suite of parallel codes. The present study (Paper I) examines the J = 0-10 rovibrational levels, providing unambiguous symmetry and rovibrational label assignments for each computed state. The calculated vibrational energy levels exhibit very good agreement with previously reported experimental and theoretical data. Rovibrational energy levels, calculated without any Coriolis approximations, are reported here for the first time. Among other potential ramifications, this data will facilitate understanding of the origin of mass-independent fractionation of sulfur isotopes in the Archean rock record-of great relevance for understanding the "oxygen revolution".

Evaluation of jamming efficiency for the protection of a single ground object

NASA Astrophysics Data System (ADS)

Matuszewski, Jan

2018-04-01

The electronic countermeasures (ECM) include methods to completely prevent or restrict the effective use of the electromagnetic spectrum by the opponent. The most widespread means of disorganizing the operation of electronic devices is to create active and passive radio-electronic jamming. The paper presents the way of jamming efficiency calculations for protecting ground objects against the radars mounted on the airborne platforms. The basic mathematical formulas for calculating the efficiency of active radar jamming are presented. The numerical calculations for ground object protection are made for two different electronic warfare scenarios: the jammer is placed very closely and in a determined distance from the protecting object. The results of these calculations are presented in the appropriate figures showing the minimal distance of effective jamming. The realization of effective radar jamming in electronic warfare systems depends mainly on the precise knowledge of radar and the jammer's technical parameters, the distance between them, the assumed value of the degradation coefficient, the conditions of electromagnetic energy propagation and the applied jamming method. The conclusions from these calculations facilitate making a decision regarding how jamming should be conducted to achieve high efficiency during the electronic warfare training.

Application of Chimera Grid Scheme to Combustor Flowfields at all Speeds

NASA Technical Reports Server (NTRS)

Yungster, Shaye; Chen, Kuo-Huey

1997-01-01

A CFD method for solving combustor flowfields at all speeds on complex configurations is presented. The approach is based on the ALLSPD-3D code which uses the compressible formulation of the flow equations including real gas effects, nonequilibrium chemistry and spray combustion. To facilitate the analysis of complex geometries, the chimera grid method is utilized. To the best of our knowledge, this is the first application of the chimera scheme to reacting flows. In order to evaluate the effectiveness of this numerical approach, several benchmark calculations of subsonic flows are presented. These include steady and unsteady flows, and bluff-body stabilized spray and premixed combustion flames.

The number processing and calculation system: evidence from cognitive neuropsychology.

PubMed

Salguero-Alcañiz, M P; Alameda-Bailén, J R

2015-04-01

Cognitive neuropsychology focuses on the concepts of dissociation and double dissociation. The performance of number processing and calculation tasks by patients with acquired brain injury can be used to characterise the way in which the healthy cognitive system manipulates number symbols and quantities. The objective of this study is to determine the components of the numerical processing and calculation system. Participants consisted of 6 patients with acquired brain injuries in different cerebral localisations. We used Batería de evaluación del procesamiento numérico y el cálculo, a battery assessing number processing and calculation. Data was analysed using the difference in proportions test. Quantitative numerical knowledge is independent from number transcoding, qualitative numerical knowledge, and calculation. Recodification is independent from qualitative numerical knowledge and calculation. Quantitative numerical knowledge and calculation are also independent functions. The number processing and calculation system comprises at least 4 components that operate independently: quantitative numerical knowledge, number transcoding, qualitative numerical knowledge, and calculation. Therefore, each one may be damaged selectively without affecting the functioning of another. According to the main models of number processing and calculation, each component has different characteristics and cerebral localisations. Copyright © 2013 Sociedad Española de Neurología. Published by Elsevier Espana. All rights reserved.

Normal mode and experimental analysis of TNT Raman spectrum

NASA Astrophysics Data System (ADS)

Liu, Yuemin; Perkins, Richard; Liu, Yucheng; Tzeng, Nianfeng

2017-04-01

In this study, a Raman spectrum of TNT was characterized through experiments and simulated using 22 hybrid density functional theory (DFT) methods. Among the different hybrid DFT methods, it was found that the most accurate simulation results of the Raman shift frequency were calculated by the O3LYP method. However, the deviations of the calculated Raman frequencies from the experimental value showed no dependency on the abilities of the DFT methods in recovering the correlation energy. The accuracies of the DFT methods in predicting the Raman bands are probably determined by the numerical grid and convergence criteria for optimizations of each DFT method. It was also decided that the prominent Raman shift 1362 cm-1 is mainly caused by symmetric stretching of the 4-nitro groups. Findings of this study can facilitate futuristic development of more effective surface enhanced Raman spectroscopy/scattering (SERS) substrates for explosive characterization and detection.

TTLEM - an implicit-explicit (IMEX) scheme for modelling landscape evolution in MATLAB

NASA Astrophysics Data System (ADS)

Campforts, Benjamin; Schwanghart, Wolfgang

2016-04-01

Landscape evolution models (LEM) are essential to unravel interdependent earth surface processes. They are proven very useful to bridge several temporal and spatial timescales and have been successfully used to integrate existing empirical datasets. There is a growing consensus that landscapes evolve at least as much in the horizontal as in the vertical direction urging for an efficient implementation of dynamic drainage networks. Here we present a spatially explicit LEM, which is based on the object-oriented function library TopoToolbox 2 (Schwanghart and Scherler, 2014). Similar to other LEMs, rivers are considered to be the main drivers for simulated landscape evolution as they transmit pulses of tectonic perturbations and set the base level of surrounding hillslopes. Highly performant graph algorithms facilitate efficient updates of the flow directions to account for planform changes in the river network and the calculation of flow-related terrain attributes. We implement the model using an implicit-explicit (IMEX) scheme, i.e. different integrators are used for different terms in the diffusion-incision equation. While linear diffusion is solved using an implicit scheme, we calculate incision explicitly. Contrary to previously published LEMS, however, river incision is solved using a total volume method which is total variation diminishing in order to prevent numerical diffusion when solving the stream power law (Campforts and Govers, 2015). We show that the use of this updated numerical scheme alters both landscape topography and catchment wide erosion rates at a geological time scale. Finally, the availability of a graphical user interface facilitates user interaction, making the tool very useful both for research and didactical purposes. References Campforts, B., Govers, G., 2015. Keeping the edge: A numerical method that avoids knickpoint smearing when solving the stream power law. J. Geophys. Res. Earth Surf. 120, 1189-1205. doi:10.1002/2014JF003376 Schwanghart, W., Scherler, D., 2014. TopoToolbox 2 - MATLAB-based software for topographic analysis and modeling in Earth surface sciences. Earth Surf. Dyn. 2, 1-7. doi:10.5194/esurf-2-1-2014

Activity in the fronto-parietal network indicates numerical inductive reasoning beyond calculation: An fMRI study combined with a cognitive model

PubMed Central

Liang, Peipeng; Jia, Xiuqin; Taatgen, Niels A.; Borst, Jelmer P.; Li, Kuncheng

2016-01-01

Numerical inductive reasoning refers to the process of identifying and extrapolating the rule involved in numeric materials. It is associated with calculation, and shares the common activation of the fronto-parietal regions with calculation, which suggests that numerical inductive reasoning may correspond to a general calculation process. However, compared with calculation, rule identification is critical and unique to reasoning. Previous studies have established the central role of the fronto-parietal network for relational integration during rule identification in numerical inductive reasoning. The current question of interest is whether numerical inductive reasoning exclusively corresponds to calculation or operates beyond calculation, and whether it is possible to distinguish between them based on the activity pattern in the fronto-parietal network. To directly address this issue, three types of problems were created: numerical inductive reasoning, calculation, and perceptual judgment. Our results showed that the fronto-parietal network was more active in numerical inductive reasoning which requires more exchanges between intermediate representations and long-term declarative knowledge during rule identification. These results survived even after controlling for the covariates of response time and error rate. A computational cognitive model was developed using the cognitive architecture ACT-R to account for the behavioral results and brain activity in the fronto-parietal network. PMID:27193284

Activity in the fronto-parietal network indicates numerical inductive reasoning beyond calculation: An fMRI study combined with a cognitive model.

PubMed

Liang, Peipeng; Jia, Xiuqin; Taatgen, Niels A; Borst, Jelmer P; Li, Kuncheng

2016-05-19

Numerical inductive reasoning refers to the process of identifying and extrapolating the rule involved in numeric materials. It is associated with calculation, and shares the common activation of the fronto-parietal regions with calculation, which suggests that numerical inductive reasoning may correspond to a general calculation process. However, compared with calculation, rule identification is critical and unique to reasoning. Previous studies have established the central role of the fronto-parietal network for relational integration during rule identification in numerical inductive reasoning. The current question of interest is whether numerical inductive reasoning exclusively corresponds to calculation or operates beyond calculation, and whether it is possible to distinguish between them based on the activity pattern in the fronto-parietal network. To directly address this issue, three types of problems were created: numerical inductive reasoning, calculation, and perceptual judgment. Our results showed that the fronto-parietal network was more active in numerical inductive reasoning which requires more exchanges between intermediate representations and long-term declarative knowledge during rule identification. These results survived even after controlling for the covariates of response time and error rate. A computational cognitive model was developed using the cognitive architecture ACT-R to account for the behavioral results and brain activity in the fronto-parietal network.

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations

NASA Astrophysics Data System (ADS)

Vergara-Perez, Sandra; Marucho, Marcelo

2016-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson-Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post-analysis of structural and electrical properties of biomolecules.

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

NASA Astrophysics Data System (ADS)

Wang, Xiao-Gang; Carrington, Tucker

2018-02-01

We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer.

PubMed

Wang, Xiao-Gang; Carrington, Tucker

2018-02-21

We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations

PubMed Central

Vergara-Perez, Sandra; Marucho, Marcelo

2015-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post- analysis of structural and electrical properties of biomolecules. PMID:26924848

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations.

PubMed

Vergara-Perez, Sandra; Marucho, Marcelo

2016-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post- analysis of structural and electrical properties of biomolecules.

Targeted Assessment for Prevention of Healthcare-Associated Infections: A New Prioritization Metric

PubMed Central

Soe, Minn M.; Gould, Carolyn V.; Pollock, Daniel; Edwards, Jonathan

2015-01-01

OBJECTIVE To develop a method for calculating the number of healthcare-associated infections (HAIs) that must be prevented to reach a HAI reduction goal and identifying and prioritizing healthcare facilities where the largest reductions can be achieved. SETTING Acute care hospitals that report HAI data to the Centers for Disease Control and Prevention’s National Healthcare Safety Network. METHODS The cumulative attributable difference (CAD) is calculated by subtracting a numerical prevention target from an observed number of HAIs. The prevention target is the product of the predicted number of HAIs and a standardized infection ratio goal, which represents a HAI reduction goal. The CAD is a numeric value that if positive is the number of infections to prevent to reach the HAI reduction goal. We calculated the CAD for catheter-associated urinary tract infections for each of the 3,639 hospitals that reported such data to National Healthcare Safety Network in 2013 and ranked the hospitals by their CAD values in descending order. RESULTS Of 1,578 hospitals with positive CAD values, preventing 10,040 catheter-associated urinary tract infections at 293 hospitals (19%) with the highest CAD would enable achievement of the national 25% catheter-associated urinary tract infection reduction goal. CONCLUSION The CAD is a new metric that facilitates ranking of facilities, and locations within facilities, to prioritize HAI prevention efforts where the greatest impact can be achieved toward a HAI reduction goal. PMID:26310913

Math anxiety, self-efficacy, and ability in British undergraduate nursing students.

PubMed

McMullan, Miriam; Jones, Ray; Lea, Susan

2012-04-01

Nurses need to be able to make drug calculations competently. In this study, involving 229 second year British nursing students, we explored the influence of mathematics anxiety, self-efficacy, and numerical ability on drug calculation ability and determined which factors would best predict this skill. Strong significant relationships (p < .001) existed between anxiety, self-efficacy, and ability. Students who failed the numerical and/or drug calculation ability tests were more anxious (p < .001) and less confident (p ≤ .002) in performing calculations than those who passed. Numerical ability made the strongest unique contribution in predicting drug calculation ability (beta = 0.50, p < .001) followed by drug calculation self-efficacy (beta = 0.16, p = .04). Early testing is recommended for basic numerical skills. Faculty are advised to refresh students' numerical skills before introducing drug calculations. Copyright © 2012 Wiley Periodicals, Inc.

On the sound insulation of acoustic metasurface using a sub-structuring approach

NASA Astrophysics Data System (ADS)

Yu, Xiang; Lu, Zhenbo; Cheng, Li; Cui, Fangsen

2017-08-01

The feasibility of using an acoustic metasurface (AMS) with acoustic stop-band property to realize sound insulation with ventilation function is investigated. An efficient numerical approach is proposed to evaluate its sound insulation performance. The AMS is excited by a reverberant sound source and the standardized sound reduction index (SRI) is numerically investigated. To facilitate the modeling, the coupling between the AMS and the adjacent acoustic fields is formulated using a sub-structuring approach. A modal based formulation is applied to both the source and receiving room, enabling an efficient calculation in the frequency range from 125 Hz to 2000 Hz. The sound pressures and the velocities at the interface are matched by using a transfer function relation based on ;patches;. For illustration purposes, numerical examples are investigated using the proposed approach. The unit cell constituting the AMS is constructed in the shape of a thin acoustic chamber with tailored inner structures, whose stop-band property is numerically analyzed and experimentally demonstrated. The AMS is shown to provide effective sound insulation of over 30 dB in the stop-band frequencies from 600 to 1600 Hz. It is also shown that the proposed approach has the potential to be applied to a broad range of AMS studies and optimization problems.

Patient safety: numerical skills and drug calculation abilities of nursing students and registered nurses.

PubMed

McMullan, Miriam; Jones, Ray; Lea, Susan

2010-04-01

This paper is a report of a correlational study of the relations of age, status, experience and drug calculation ability to numerical ability of nursing students and Registered Nurses. Competent numerical and drug calculation skills are essential for nurses as mistakes can put patients' lives at risk. A cross-sectional study was carried out in 2006 in one United Kingdom university. Validated numerical and drug calculation tests were given to 229 second year nursing students and 44 Registered Nurses attending a non-medical prescribing programme. The numeracy test was failed by 55% of students and 45% of Registered Nurses, while 92% of students and 89% of nurses failed the drug calculation test. Independent of status or experience, older participants (> or = 35 years) were statistically significantly more able to perform numerical calculations. There was no statistically significant difference between nursing students and Registered Nurses in their overall drug calculation ability, but nurses were statistically significantly more able than students to perform basic numerical calculations and calculations for solids, oral liquids and injections. Both nursing students and Registered Nurses were statistically significantly more able to perform calculations for solids, liquid oral and injections than calculations for drug percentages, drip and infusion rates. To prevent deskilling, Registered Nurses should continue to practise and refresh all the different types of drug calculations as often as possible with regular (self)-testing of their ability. Time should be set aside in curricula for nursing students to learn how to perform basic numerical and drug calculations. This learning should be reinforced through regular practice and assessment.

[Effects of finitude salience and social value intention on emotional responses of "kandoh" (the state of being emotionally moved) associated with sadness].

PubMed

Kato, Juri; Murata, Koji

2013-06-01

Two experiments investigated whether emotional responses of "kandoh" (the state of being emotionally moved) associated with sadness were facilitated by the factors of "finitude salience" and "social value intention". We predicted that participants who strongly intended social value would be more strongly moved by movies that portrayed social values than participants who weakly intended social value. Furthermore we predicted that this difference would increase in the finitude salience condition. In both experiments, participants assigned to the finitude salience condition subtracted the years of the person's birth from death. In the control condition, participants performed the same task in the form of simple numerical calculations. Then all participants watched a movie that portrayed family love and death in Experiment 1 (N = 88). We used another movie that described friendship and separation in Experiment 2 (N = 82). The results supported the two hypotheses that social value intention facilitated emotional responses of "kandoh" and this effect increased under finitude salience.

Accurate solutions for transonic viscous flow over finite wings

NASA Technical Reports Server (NTRS)

Vatsa, V. N.

1986-01-01

An explicit multistage Runge-Kutta type time-stepping scheme is used for solving the three-dimensional, compressible, thin-layer Navier-Stokes equations. A finite-volume formulation is employed to facilitate treatment of complex grid topologies encountered in three-dimensional calculations. Convergence to steady state is expedited through usage of acceleration techniques. Further numerical efficiency is achieved through vectorization of the computer code. The accuracy of the overall scheme is evaluated by comparing the computed solutions with the experimental data for a finite wing under different test conditions in the transonic regime. A grid refinement study ir conducted to estimate the grid requirements for adequate resolution of salient features of such flows.

Boundary regularized integral equation formulation of the Helmholtz equation in acoustics.

PubMed

Sun, Qiang; Klaseboer, Evert; Khoo, Boo-Cheong; Chan, Derek Y C

2015-01-01

A boundary integral formulation for the solution of the Helmholtz equation is developed in which all traditional singular behaviour in the boundary integrals is removed analytically. The numerical precision of this approach is illustrated with calculation of the pressure field owing to radiating bodies in acoustic wave problems. This method facilitates the use of higher order surface elements to represent boundaries, resulting in a significant reduction in the problem size with improved precision. Problems with extreme geometric aspect ratios can also be handled without diminished precision. When combined with the CHIEF method, uniqueness of the solution of the exterior acoustic problem is assured without the need to solve hypersingular integrals.

Boundary regularized integral equation formulation of the Helmholtz equation in acoustics

PubMed Central

Sun, Qiang; Klaseboer, Evert; Khoo, Boo-Cheong; Chan, Derek Y. C.

2015-01-01

A boundary integral formulation for the solution of the Helmholtz equation is developed in which all traditional singular behaviour in the boundary integrals is removed analytically. The numerical precision of this approach is illustrated with calculation of the pressure field owing to radiating bodies in acoustic wave problems. This method facilitates the use of higher order surface elements to represent boundaries, resulting in a significant reduction in the problem size with improved precision. Problems with extreme geometric aspect ratios can also be handled without diminished precision. When combined with the CHIEF method, uniqueness of the solution of the exterior acoustic problem is assured without the need to solve hypersingular integrals. PMID:26064591

Entanglement dynamics of two independent Jaynes-Cummings atoms without the rotating-wave approximation

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

Chen Qinghu; Department of Physics, Zhejiang University, Hangzhou 310027; Yang Yuan

2010-11-15

Entanglement evolution of two independent Jaynes-Cummings atoms without the rotating-wave approximation (RWA) is studied by a numerically exact approach. Previous results based on the RWA are essentially modified in the strong-coupling regime (g{>=}0.1), which has been reached in the recent experiments on the flux qubit coupled to the LC resonator. For the initial Bell state with anticorrelated spins, entanglement sudden death (ESD) is absent in the RWA but does appear in the present numerical calculation without the RWA. Aperiodic entanglement evolution in the strong-coupling regime is observed. The strong atom-cavity coupling facilitates the ESD. The sign of the detuning playsmore » an essential role in the entanglement evolution for strong coupling, which is irrelevant in the RWA. Analytical results based on an unitary transformation are also given, which could not modify the RWA picture essentially. It is suggested that the activation of the photons may be the origin of ESD in this system.« less

Numerical Nuclear Second Derivatives on a Computing Grid: Enabling and Accelerating Frequency Calculations on Complex Molecular Systems.

PubMed

Yang, Tzuhsiung; Berry, John F

2018-06-04

The computation of nuclear second derivatives of energy, or the nuclear Hessian, is an essential routine in quantum chemical investigations of ground and transition states, thermodynamic calculations, and molecular vibrations. Analytic nuclear Hessian computations require the resolution of costly coupled-perturbed self-consistent field (CP-SCF) equations, while numerical differentiation of analytic first derivatives has an unfavorable 6 N ( N = number of atoms) prefactor. Herein, we present a new method in which grid computing is used to accelerate and/or enable the evaluation of the nuclear Hessian via numerical differentiation: NUMFREQ@Grid. Nuclear Hessians were successfully evaluated by NUMFREQ@Grid at the DFT level as well as using RIJCOSX-ZORA-MP2 or RIJCOSX-ZORA-B2PLYP for a set of linear polyacenes with systematically increasing size. For the larger members of this group, NUMFREQ@Grid was found to outperform the wall clock time of analytic Hessian evaluation; at the MP2 or B2LYP levels, these Hessians cannot even be evaluated analytically. We also evaluated a 156-atom catalytically relevant open-shell transition metal complex and found that NUMFREQ@Grid is faster (7.7 times shorter wall clock time) and less demanding (4.4 times less memory requirement) than an analytic Hessian. Capitalizing on the capabilities of parallel grid computing, NUMFREQ@Grid can outperform analytic methods in terms of wall time, memory requirements, and treatable system size. The NUMFREQ@Grid method presented herein demonstrates how grid computing can be used to facilitate embarrassingly parallel computational procedures and is a pioneer for future implementations.

APBSmem: A Graphical Interface for Electrostatic Calculations at the Membrane

PubMed Central

Callenberg, Keith M.; Choudhary, Om P.; de Forest, Gabriel L.; Gohara, David W.; Baker, Nathan A.; Grabe, Michael

2010-01-01

Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation, and there are several easy-to-use software packages available that solve the PB equation for soluble proteins. Here we present a freely available program, called APBSmem, for carrying out these calculations in the presence of a membrane. The Adaptive Poisson-Boltzmann Solver (APBS) is used as a back-end for solving the PB equation, and a Java-based graphical user interface (GUI) coordinates a set of routines that introduce the influence of the membrane, determine its placement relative to the protein, and set the membrane potential. The software Jmol is embedded in the GUI to visualize the protein inserted in the membrane before the calculation and the electrostatic potential after completing the computation. We expect that the ease with which the GUI allows one to carry out these calculations will make this software a useful resource for experimenters and computational researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate how to use APBSmem and to highlight the different quantities of interest that can be calculated. PMID:20949122

APBSmem: a graphical interface for electrostatic calculations at the membrane.

PubMed

Callenberg, Keith M; Choudhary, Om P; de Forest, Gabriel L; Gohara, David W; Baker, Nathan A; Grabe, Michael

2010-09-29

Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation, and there are several easy-to-use software packages available that solve the PB equation for soluble proteins. Here we present a freely available program, called APBSmem, for carrying out these calculations in the presence of a membrane. The Adaptive Poisson-Boltzmann Solver (APBS) is used as a back-end for solving the PB equation, and a Java-based graphical user interface (GUI) coordinates a set of routines that introduce the influence of the membrane, determine its placement relative to the protein, and set the membrane potential. The software Jmol is embedded in the GUI to visualize the protein inserted in the membrane before the calculation and the electrostatic potential after completing the computation. We expect that the ease with which the GUI allows one to carry out these calculations will make this software a useful resource for experimenters and computational researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate how to use APBSmem and to highlight the different quantities of interest that can be calculated.

Evaluation and Parameter Analysis of Burn up Calculations for the Assessment of Radioactive Waste - 13187

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

Fast, Ivan; Aksyutina, Yuliya; Tietze-Jaensch, Holger

2013-07-01

Burn up calculations facilitate a determination of the composition and nuclear inventory of spent nuclear fuel, if operational history is known. In case this information is not available, the total nuclear inventory can be determined by means of destructive or, even on industrial scale, nondestructive measurement methods. For non-destructive measurements however only a few easy-to-measure, so-called key nuclides, are determined due to their characteristic gamma lines or neutron emission. From these measured activities the fuel burn up and cooling time are derived to facilitate the numerical inventory determination of spent fuel elements. Most regulatory bodies require an independent assessment ofmore » nuclear waste properties and their documentation. Prominent part of this assessment is a consistency check of inventory declaration. The waste packages often contain wastes from different types of spent fuels of different history and information about the secondary reactor parameters may not be available. In this case the so-called characteristic fuel burn up and cooling time are determined. These values are obtained from a correlations involving key-nuclides with a certain bandwidth, thus with upper and lower limits. The bandwidth is strongly dependent on secondary reactor parameter such as initial enrichment, temperature and density of the fuel and moderator, hence the reactor type, fuel element geometry and plant operation history. The purpose of our investigation is to look into the scaling and correlation limitations, to define and verify the range of validity and to scrutinize the dependencies and propagation of uncertainties that affect the waste inventory declarations and their independent verification. This is accomplished by numerical assessment and simulation of waste production using well accepted codes SCALE 6.0 and 6.1 to simulate the cooling time and burn up of a spent fuel element. The simulations are benchmarked against spent fuel from the real reactor Obrigheim in Germany for which sufficiently precise experimental reference data are available. (authors)« less

A new 3D finite element model of the IEC 60318-1 artificial ear: II. Experimental and numerical validation

NASA Astrophysics Data System (ADS)

Bravo, Agustín; Barham, Richard; Ruiz, Mariano; López, Juan Manuel; De Arcas, Guillermo; Alonso, Jesus

2012-12-01

In part I, the feasibility of using three-dimensional (3D) finite elements (FEs) to model the acoustic behaviour of the IEC 60318-1 artificial ear was studied and the numerical approach compared with classical lumped elements modelling. It was shown that by using a more complex acoustic model that took account of thermo-viscous effects, geometric shapes and dimensions, it was possible to develop a realistic model. This model then had clear advantages in comparison with the models based on equivalent circuits using lumped parameters. In fact results from FE modelling produce a better understanding about the physical phenomena produced inside ear simulator couplers, facilitating spatial and temporal visualization of the sound fields produced. The objective of this study (part II) is to extend the investigation by validating the numerical calculations against measurements on an ear simulator conforming to IEC 60318-1. For this purpose, an appropriate commercially available device is taken and a complete 3D FE model developed for it. The numerical model is based on key dimensional data obtained with a non-destructive x-ray inspection technique. Measurements of the acoustic transfer impedance have been carried out on the same device at a national measurement institute using the method embodied in IEC 60318-1. Having accounted for the actual device dimensions, the thermo-viscous effects inside narrow slots and holes and environmental conditions, the results of the numerical modelling were found to be in good agreement with the measured values.

Facilitating the selection and creation of accurate interatomic potentials with robust tools and characterization

NASA Astrophysics Data System (ADS)

Trautt, Zachary T.; Tavazza, Francesca; Becker, Chandler A.

2015-10-01

The Materials Genome Initiative seeks to significantly decrease the cost and time of development and integration of new materials. Within the domain of atomistic simulations, several roadblocks stand in the way of reaching this goal. While the NIST Interatomic Potentials Repository hosts numerous interatomic potentials (force fields), researchers cannot immediately determine the best choice(s) for their use case. Researchers developing new potentials, specifically those in restricted environments, lack a comprehensive portfolio of efficient tools capable of calculating and archiving the properties of their potentials. This paper elucidates one solution to these problems, which uses Python-based scripts that are suitable for rapid property evaluation and human knowledge transfer. Calculation results are visible on the repository website, which reduces the time required to select an interatomic potential for a specific use case. Furthermore, property evaluation scripts are being integrated with modern platforms to improve discoverability and access of materials property data. To demonstrate these scripts and features, we will discuss the automation of stacking fault energy calculations and their application to additional elements. While the calculation methodology was developed previously, we are using it here as a case study in simulation automation and property calculations. We demonstrate how the use of Python scripts allows for rapid calculation in a more easily managed way where the calculations can be modified, and the results presented in user-friendly and concise ways. Additionally, the methods can be incorporated into other efforts, such as openKIM.

Decrypting protein insertion through the translocon with free-energy calculations.

PubMed

Gumbart, James C; Chipot, Christophe

2016-07-01

Protein insertion into a membrane is a complex process involving numerous players. The most prominent of these players is the Sec translocon complex, a conserved protein-conducting channel present in the cytoplasmic membrane of bacteria and the membrane of the endoplasmic reticulum in eukaryotes. The last decade has seen tremendous leaps forward in our understanding of how insertion is managed by the translocon and its partners, coming from atomic-detailed structures, innovative experiments, and well-designed simulations. In this review, we discuss how experiments and simulations, hand-in-hand, teased out the secrets of the translocon-facilitated membrane insertion process. In particular, we focus on the role of free-energy calculations in elucidating membrane insertion. Amazingly, despite all its apparent complexity, protein insertion into membranes is primarily driven by simple thermodynamic and kinetic principles. This article is part of a Special Issue entitled: Membrane proteins edited by J.C. Gumbart and Sergei Noskov. Copyright © 2016 Elsevier B.V. All rights reserved.

Accurate calculation of field and carrier distributions in doped semiconductors

NASA Astrophysics Data System (ADS)

Yang, Wenji; Tang, Jianping; Yu, Hongchun; Wang, Yanguo

2012-06-01

We use the numerical squeezing algorithm(NSA) combined with the shooting method to accurately calculate the built-in fields and carrier distributions in doped silicon films (SFs) in the micron and sub-micron thickness range and results are presented in graphical form for variety of doping profiles under different boundary conditions. As a complementary approach, we also present the methods and the results of the inverse problem (IVP) - finding out the doping profile in the SFs for given field distribution. The solution of the IVP provides us the approach to arbitrarily design field distribution in SFs - which is very important for low dimensional (LD) systems and device designing. Further more, the solution of the IVP is both direct and much easy for all the one-, two-, and three-dimensional semiconductor systems. With current efforts focused on the LD physics, knowing of the field and carrier distribution details in the LD systems will facilitate further researches on other aspects and hence the current work provides a platform for those researches.

Symbolic-numeric interface: A review

NASA Technical Reports Server (NTRS)

Ng, E. W.

1980-01-01

A survey of the use of a combination of symbolic and numerical calculations is presented. Symbolic calculations primarily refer to the computer processing of procedures from classical algebra, analysis, and calculus. Numerical calculations refer to both numerical mathematics research and scientific computation. This survey is intended to point out a large number of problem areas where a cooperation of symbolic and numerical methods is likely to bear many fruits. These areas include such classical operations as differentiation and integration, such diverse activities as function approximations and qualitative analysis, and such contemporary topics as finite element calculations and computation complexity. It is contended that other less obvious topics such as the fast Fourier transform, linear algebra, nonlinear analysis and error analysis would also benefit from a synergistic approach.

Comparison of results of experimental research with numerical calculations of a model one-sided seal

NASA Astrophysics Data System (ADS)

Joachimiak, Damian; Krzyślak, Piotr

2015-06-01

Paper presents the results of experimental and numerical research of a model segment of a labyrinth seal for a different wear level. The analysis covers the extent of leakage and distribution of static pressure in the seal chambers and the planes upstream and downstream of the segment. The measurement data have been compared with the results of numerical calculations obtained using commercial software. Based on the flow conditions occurring in the area subjected to calculations, the size of the mesh defined by parameter y+ has been analyzed and the selection of the turbulence model has been described. The numerical calculations were based on the measurable thermodynamic parameters in the seal segments of steam turbines. The work contains a comparison of the mass flow and distribution of static pressure in the seal chambers obtained during the measurement and calculated numerically in a model segment of the seal of different level of wear.

Teaching Mathematics with Technology: Numerical Relationships.

ERIC Educational Resources Information Center

Bright, George W.

1989-01-01

Developing numerical relationships with calculators is emphasized. Calculators furnish some needed support for students as they investigate the value of fractions as the numerators or denominators change. An example with Logo programing for computers is also included. (MNS)

The free energy of a reaction coordinate at multiple constraints: a concise formulation

NASA Astrophysics Data System (ADS)

Schlitter, Jürgen; Klähn, Marco

The free energy as a function of the reaction coordinate (rc) is the key quantity for the computation of equilibrium and kinetic quantities. When it is considered as the potential of mean force, the problem is the calculation of the mean force for given values of the rc. We reinvestigate the PMCF (potential of mean constraint force) method which applies a constraint to the rc to compute the mean force as the mean negative constraint force and a metric tensor correction. The latter allows for the constraint imposed to the rc and possible artefacts due to multiple constraints of other variables which for practical reasons are often used in numerical simulations. Two main results are obtained that are of theoretical and practical interest. First, the correction term is given a very concise and simple shape which facilitates its interpretation and evaluation. Secondly, a theorem describes various rcs and possible combinations with constraints that can be used without introducing any correction to the constraint force. The results facilitate the computation of free energy by molecular dynamics simulations.

Hybrid immersed interface-immersed boundary methods for AC dielectrophoresis

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

Hossan, Mohammad Robiul; Department of Engineering and Physics, University of Central Oklahoma, Edmond, OK 73034-5209; Dillon, Robert

2014-08-01

Dielectrophoresis, a nonlinear electrokinetic transport mechanism, has become popular in many engineering applications including manipulation, characterization and actuation of biomaterials, particles and biological cells. In this paper, we present a hybrid immersed interface–immersed boundary method to study AC dielectrophoresis where an algorithm is developed to solve the complex Poisson equation using a real variable formulation. An immersed interface method is employed to obtain the AC electric field in a fluid media with suspended particles and an immersed boundary method is used for the fluid equations and particle transport. The convergence of the proposed algorithm as well as validation of themore » hybrid scheme with experimental results is presented. In this paper, the Maxwell stress tensor is used to calculate the dielectrophoretic force acting on particles by considering the physical effect of particles in the computational domain. Thus, this study eliminates the approximations used in point dipole methods for calculating dielectrophoretic force. A comparative study between Maxwell stress tensor and point dipole methods for computing dielectrophoretic forces are presented. The hybrid method is used to investigate the physics of dielectrophoresis in microfluidic devices using an AC electric field. The numerical results show that with proper design and appropriate selection of applied potential and frequency, global electric field minima can be obtained to facilitate multiple particle trapping by exploiting the mechanism of negative dielectrophoresis. Our numerical results also show that electrically neutral particles form a chain parallel to the applied electric field irrespective of their initial orientation when an AC electric field is applied. This proposed hybrid numerical scheme will help to better understand dielectrophoresis and to design and optimize microfluidic devices.« less

Facilitating dynamo action via control of large-scale turbulence.

PubMed

Limone, A; Hatch, D R; Forest, C B; Jenko, F

2012-12-01

The magnetohydrodynamic dynamo effect is considered to be the major cause of magnetic field generation in geo- and astrophysical systems. Recent experimental and numerical results show that turbulence constitutes an obstacle to dynamos; yet its role in this context is not totally clear. Via numerical simulations, we identify large-scale turbulent vortices with a detrimental effect on the amplification of the magnetic field in a geometry of experimental interest and propose a strategy for facilitating the dynamo instability by manipulating these detrimental "hidden" dynamics.

On the mechanics of cerebral aneurysms: experimental research and numerical simulation

NASA Astrophysics Data System (ADS)

Parshin, D. V.; Kuianova, I. O.; Yunoshev, A. S.; Ovsyannikov, K. S.; Dubovoy, A. V.

2017-10-01

This research extends existing experimental data for CA tissues [1, 2] and presents the preliminary results of numerical calculations. Experiments were performed to measure aneurysm wall stiffness and the data obtained was analyzed. To reconstruct the geometry of the CAs, DICOM images of real patients with aneurysms and ITK Snap [3] were used. In addition, numerical calculations were performed in ANSYS (commercial software, License of Lavrentyev Institute of Hydrodynamics). The results of these numerical calculations show a high level of agreement with experimental data from previous literature.

Uncertainty Aware Structural Topology Optimization Via a Stochastic Reduced Order Model Approach

NASA Technical Reports Server (NTRS)

Aguilo, Miguel A.; Warner, James E.

2017-01-01

This work presents a stochastic reduced order modeling strategy for the quantification and propagation of uncertainties in topology optimization. Uncertainty aware optimization problems can be computationally complex due to the substantial number of model evaluations that are necessary to accurately quantify and propagate uncertainties. This computational complexity is greatly magnified if a high-fidelity, physics-based numerical model is used for the topology optimization calculations. Stochastic reduced order model (SROM) methods are applied here to effectively 1) alleviate the prohibitive computational cost associated with an uncertainty aware topology optimization problem; and 2) quantify and propagate the inherent uncertainties due to design imperfections. A generic SROM framework that transforms the uncertainty aware, stochastic topology optimization problem into a deterministic optimization problem that relies only on independent calls to a deterministic numerical model is presented. This approach facilitates the use of existing optimization and modeling tools to accurately solve the uncertainty aware topology optimization problems in a fraction of the computational demand required by Monte Carlo methods. Finally, an example in structural topology optimization is presented to demonstrate the effectiveness of the proposed uncertainty aware structural topology optimization approach.

Role of short-range correlation in facilitation of wave propagation in a long-range ladder chain

NASA Astrophysics Data System (ADS)

Farzadian, O.; Niry, M. D.

2018-09-01

We extend a new method for generating a random chain, which has a kind of short-range correlation induced by a repeated sequence while retaining long-range correlation. Three distinct methods are considered to study the localization-delocalization transition of mechanical waves in one-dimensional disordered media with simultaneous existence of short and long-range correlation. First, a transfer-matrix method was used to calculate numerically the localization length of a wave in a binary chain. We found that the existence of short-range correlation in a long-range correlated chain can increase the localization length at the resonance frequency Ωc. Then, we carried out an analytical study of the delocalization properties of the waves in correlated disordered media around Ωc. Finally, we apply a dynamical method based on the direct numerical simulation of the wave equation to study the propagation of waves in the correlated chain. Imposing short-range correlation on the long-range background will lead the propagation to super-diffusive transport. The results obtained with all three methods are in agreement with each other.

Alterations of Blood Flow Through Arteries Following Atherectomy and the Impact on Pressure Variation and Velocity.

PubMed

Plourde, Brian D; Vallez, Lauren J; Sun, Biyuan; Nelson-Cheeseman, Brittany B; Abraham, John P; Staniloae, Cezar S

2016-09-01

Simulations were made of the pressure and velocity fields throughout an artery before and after removal of plaque using orbital atherectomy plus adjunctive balloon angioplasty or stenting. The calculations were carried out with an unsteady computational fluid dynamic solver that allows the fluid to naturally transition to turbulence. The results of the atherectomy procedure leads to an increased flow through the stenotic zone with a coincident decrease in pressure drop across the stenosis. The measured effect of atherectomy and adjunctive treatment showed decrease the systolic pressure drop by a factor of 2.3. Waveforms obtained from a measurements were input into a numerical simulation of blood flow through geometry obtained from medical imaging. From the numerical simulations, a detailed investigation of the sources of pressure loss was obtained. It is found that the major sources of pressure drop are related to the acceleration of blood through heavily occluded cross sections and the imperfect flow recovery downstream. This finding suggests that targeting only the most occluded parts of a stenosis would benefit the hemodynamics. The calculated change in systolic pressure drop through the lesion was a factor of 2.4, in excellent agreement with the measured improvement. The systolic and cardiac-cycle-average pressure results were compared with measurements made in a multi-patient study treated with orbital atherectomy and adjunctive treatment. The agreements between the measured and calculated systolic pressure drop before and after the treatment were within 3%. This excellent agreement adds further confidence to the results. This research demonstrates the use of orbital atherectomy to facilitate balloon expansion to restore blood flow and how pressure measurements can be utilized to optimize revascularization of occluded peripheral vessels.

Numerical calculations of turbulent swirling flow

NASA Technical Reports Server (NTRS)

Kubo, I.; Gouldin, F. C.

1974-01-01

Description of a numerical technique for solving axisymmetric, incompressible, turbulent swirling flow problems. Isothermal flow calculations are presented for a coaxial flow configuration of special interest. The calculation results are discussed in regard to their implications for the design of gas turbine combustors.

Numerical Model Metrics Tools in Support of Navy Operations

NASA Astrophysics Data System (ADS)

Dykes, J. D.; Fanguy, P.

2017-12-01

Increasing demands of accurate ocean forecasts that are relevant to the Navy mission decision makers demand tools that quickly provide relevant numerical model metrics to the forecasters. Increasing modelling capabilities with ever-higher resolution domains including coupled and ensemble systems as well as the increasing volume of observations and other data sources to which to compare the model output requires more tools for the forecaster to enable doing more with less. These data can be appropriately handled in a geographic information system (GIS) fused together to provide useful information and analyses, and ultimately a better understanding how the pertinent model performs based on ground truth.. Oceanographic measurements like surface elevation, profiles of temperature and salinity, and wave height can all be incorporated into a set of layers correlated to geographic information such as bathymetry and topography. In addition, an automated system that runs concurrently with the models on high performance machines matches routinely available observations to modelled values to form a database of matchups with which statistics can be calculated and displayed, to facilitate validation of forecast state and derived variables. ArcMAP, developed by Environmental Systems Research Institute, is a GIS application used by the Naval Research Laboratory (NRL) and naval operational meteorological and oceanographic centers to analyse the environment in support of a range of Navy missions. For example, acoustic propagation in the ocean is described with a three-dimensional analysis of sound speed that depends on profiles of temperature, pressure and salinity predicted by the Navy Coastal Ocean Model. The data and model output must include geo-referencing information suitable for accurately placing the data within the ArcMAP framework. NRL has developed tools that facilitate merging these geophysical data and their analyses, including intercomparisons between model predictions as well as comparison to validation data. This methodology produces new insights and facilitates identification of potential problems in ocean prediction.

The Power of 2: How an Apparently Irregular Numeration System Facilitates Mental Arithmetic

ERIC Educational Resources Information Center

Bender, Andrea; Beller, Sieghard

2017-01-01

Mangarevan traditionally contained two numeration systems: a general one, which was highly regular, decimal, and extraordinarily extensive; and a specific one, which was restricted to specific objects, based on diverging counting units, and interspersed with binary steps. While most of these characteristics are shared by numeration systems in…

A Longitudinal Study on Predictors of Early Calculation Development among Young Children At-Risk for Learning Difficulties

PubMed Central

Peng, Peng; Namkung, Jessica M.; Fuchs, Douglas; Fuchs, Lynn S.; Patton, Samuel; Yen, Loulee; Compton, Donald L.; Zhang, Wenjuan; Miller, Amanda; Hamlett, Carol

2016-01-01

The purpose of this study was to explore domain-general cognitive skills, domain-specific academic skills, and demographic characteristics that are associated with calculation development from first through third grade among young children with learning difficulties. Participants were 176 children identified with reading and mathematics difficulties at the beginning of first grade. Data were collected on working memory, language, nonverbal reasoning, processing speed, decoding, numerical competence, incoming calculations, socioeconomic status, and gender at the beginning of first grade and on calculation performance at 4 time points: the beginning of first grade, the end of first grade, the end of second grade, and the end of third grade. Latent growth modelling analysis showed that numerical competence, incoming calculation, processing speed, and decoding skills significantly explained the variance of calculation performance at the beginning of first grade. Numerical competence and processing speed significantly explained the variance of calculation performance at the end of third grade. However, numerical competence was the only significant predictor of calculation development from the beginning of first grade to the end of third grade. Implications of these findings for early calculation instructions among young at-risk children are discussed. PMID:27572520

Electronic energy transfer: Localized operator partitioning of electronic energy in composite quantum systems

NASA Astrophysics Data System (ADS)

Khan, Yaser; Brumer, Paul

2012-11-01

A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of electronic energy transfer in arbitrarily coupled quantum systems. In particular, the decomposition scheme can be applied to molecular components that are strongly interacting (with significant orbital overlap) as well as to isolated fragments. The result defines a consistent electronic energy at all internuclear distances, including the case of separated fragments, and reduces to the well-known Förster and Dexter results in their respective limits. Numerical calculations of coherent energy and charge transfer dynamics in simple model systems are presented and the effect of collisionally induced decoherence is examined.

Parameter screening: the use of a dummy parameter to identify non-influential parameters in a global sensitivity analysis

NASA Astrophysics Data System (ADS)

Khorashadi Zadeh, Farkhondeh; Nossent, Jiri; van Griensven, Ann; Bauwens, Willy

2017-04-01

Parameter estimation is a major concern in hydrological modeling, which may limit the use of complex simulators with a large number of parameters. To support the selection of parameters to include in or exclude from the calibration process, Global Sensitivity Analysis (GSA) is widely applied in modeling practices. Based on the results of GSA, the influential and the non-influential parameters are identified (i.e. parameters screening). Nevertheless, the choice of the screening threshold below which parameters are considered non-influential is a critical issue, which has recently received more attention in GSA literature. In theory, the sensitivity index of a non-influential parameter has a value of zero. However, since numerical approximations, rather than analytical solutions, are utilized in GSA methods to calculate the sensitivity indices, small but non-zero indices may be obtained for the indices of non-influential parameters. In order to assess the threshold that identifies non-influential parameters in GSA methods, we propose to calculate the sensitivity index of a "dummy parameter". This dummy parameter has no influence on the model output, but will have a non-zero sensitivity index, representing the error due to the numerical approximation. Hence, the parameters whose indices are above the sensitivity index of the dummy parameter can be classified as influential, whereas the parameters whose indices are below this index are within the range of the numerical error and should be considered as non-influential. To demonstrated the effectiveness of the proposed "dummy parameter approach", 26 parameters of a Soil and Water Assessment Tool (SWAT) model are selected to be analyzed and screened, using the variance-based Sobol' and moment-independent PAWN methods. The sensitivity index of the dummy parameter is calculated from sampled data, without changing the model equations. Moreover, the calculation does not even require additional model evaluations for the Sobol' method. A formal statistical test validates these parameter screening results. Based on the dummy parameter screening, 11 model parameters are identified as influential. Therefore, it can be denoted that the "dummy parameter approach" can facilitate the parameter screening process and provide guidance for GSA users to define a screening-threshold, with only limited additional resources. Key words: Parameter screening, Global sensitivity analysis, Dummy parameter, Variance-based method, Moment-independent method

A numerical calculation method of environmental impacts for the deep sea mining industry - a review.

PubMed

Ma, Wenbin; van Rhee, Cees; Schott, Dingena

2018-03-01

Since the gradual decrease of mineral resources on-land, deep sea mining (DSM) is becoming an urgent and important emerging activity in the world. However, until now there has been no commercial scale DSM project in progress. Together with the reasons of technological feasibility and economic profitability, the environmental impact is one of the major parameters hindering its industrialization. Most of the DSM environmental impact research focuses on only one particular aspect ignoring that all the DSM environmental impacts are related to each other. The objective of this work is to propose a framework for the numerical calculation methods of the integrated DSM environmental impacts through a literature review. This paper covers three parts: (i) definition and importance description of different DSM environmental impacts; (ii) description of the existing numerical calculation methods for different environmental impacts; (iii) selection of a numerical calculation method based on the selected criteria. The research conducted in this paper provides a clear numerical calculation framework for DSM environmental impact and could be helpful to speed up the industrialization process of the DSM industry.

Sources of Individual Differences in Emerging Competence with Numeration Understanding versus Multidigit Calculation Skill

ERIC Educational Resources Information Center

Fuchs, Lynn S.; Geary, David C.; Fuchs, Douglas; Compton, Donald L.; Hamlett, Carol L.

2014-01-01

This study investigated contributions of general cognitive abilities and foundational mathematical competencies to numeration understanding (i.e., base-10 structure) versus multidigit calculation skill. Children (n = 394, M = 6.5 years) were assessed on general cognitive abilities and foundational numerical competencies at start of 1st grade; on…

A longitudinal study on predictors of early calculation development among young children at risk for learning difficulties.

PubMed

Peng, Peng; Namkung, Jessica M; Fuchs, Douglas; Fuchs, Lynn S; Patton, Samuel; Yen, Loulee; Compton, Donald L; Zhang, Wenjuan; Miller, Amanda; Hamlett, Carol

2016-12-01

The purpose of this study was to explore domain-general cognitive skills, domain-specific academic skills, and demographic characteristics that are associated with calculation development from first grade to third grade among young children with learning difficulties. Participants were 176 children identified with reading and mathematics difficulties at the beginning of first grade. Data were collected on working memory, language, nonverbal reasoning, processing speed, decoding, numerical competence, incoming calculations, socioeconomic status, and gender at the beginning of first grade and on calculation performance at four time points: the beginning of first grade, the end of first grade, the end of second grade, and the end of third grade. Latent growth modeling analysis showed that numerical competence, incoming calculation, processing speed, and decoding skills significantly explained the variance in calculation performance at the beginning of first grade. Numerical competence and processing speed significantly explained the variance in calculation performance at the end of third grade. However, numerical competence was the only significant predictor of calculation development from the beginning of first grade to the end of third grade. Implications of these findings for early calculation instructions among young at-risk children are discussed. Copyright © 2016 Elsevier Inc. All rights reserved.

On the interpretation of the inverted kinetics equation and space-time calculations of the effectiveness of the VVER-1000 reactor scram system

NASA Astrophysics Data System (ADS)

Zizin, M. N.; Ivanov, L. D.

2013-12-01

In the present paper, an attempt is made to analyze the accuracy of calculating the effectiveness of the VVER-1000 reactor scram system by means of the inverted solution of the kinetics equation (ISKE). In the numerical studies in the intellectual ShIPR software system, the actuation of the reactor scram system with the possible jamming of one of the two most effective rods is simulated. First, the connection of functionals calculated in the space-time computation in different approximations with the kinetics equation is considered on the theoretical level. The formulas are presented in a manner facilitating their coding. Then, the results of processing of several such functions by the ISKE are presented. For estimating the effectiveness of the VVER-1000 reactor scram system, it is proposed to use the measured currents of ionization chambers (IC) jointly with calculated readings of IC imitators. In addition, the integral of the delayed neutron (DN) generation rate multiplied by the adjoint DN source over the volume of the reactor, calculated for the instant of time when insertion of safety rods ends, is used. This integral is necessary for taking into account the spatial reactivity effects. Reasonable agreement was attained for the considered example between the effectiveness of the scram system evaluated by this method and the values obtained by steady-state calculations as the difference of the reciprocal effective multiplication factors with withdrawn and inserted control rods. This agreement was attained with the use of eight-group DN parameters.

A priori mesh grading for the numerical calculation of the head-related transfer functions

PubMed Central

Ziegelwanger, Harald; Kreuzer, Wolfgang; Majdak, Piotr

2017-01-01

Head-related transfer functions (HRTFs) describe the directional filtering of the incoming sound caused by the morphology of a listener’s head and pinnae. When an accurate model of a listener’s morphology exists, HRTFs can be calculated numerically with the boundary element method (BEM). However, the general recommendation to model the head and pinnae with at least six elements per wavelength renders the BEM as a time-consuming procedure when calculating HRTFs for the full audible frequency range. In this study, a mesh preprocessing algorithm is proposed, viz., a priori mesh grading, which reduces the computational costs in the HRTF calculation process significantly. The mesh grading algorithm deliberately violates the recommendation of at least six elements per wavelength in certain regions of the head and pinnae and varies the size of elements gradually according to an a priori defined grading function. The evaluation of the algorithm involved HRTFs calculated for various geometric objects including meshes of three human listeners and various grading functions. The numerical accuracy and the predicted sound-localization performance of calculated HRTFs were analyzed. A-priori mesh grading appeared to be suitable for the numerical calculation of HRTFs in the full audible frequency range and outperformed uniform meshes in terms of numerical errors, perception based predictions of sound-localization performance, and computational costs. PMID:28239186

Probabilistic numerics and uncertainty in computations

PubMed Central

Hennig, Philipp; Osborne, Michael A.; Girolami, Mark

2015-01-01

We deliver a call to arms for probabilistic numerical methods: algorithms for numerical tasks, including linear algebra, integration, optimization and solving differential equations, that return uncertainties in their calculations. Such uncertainties, arising from the loss of precision induced by numerical calculation with limited time or hardware, are important for much contemporary science and industry. Within applications such as climate science and astrophysics, the need to make decisions on the basis of computations with large and complex data have led to a renewed focus on the management of numerical uncertainty. We describe how several seminal classic numerical methods can be interpreted naturally as probabilistic inference. We then show that the probabilistic view suggests new algorithms that can flexibly be adapted to suit application specifics, while delivering improved empirical performance. We provide concrete illustrations of the benefits of probabilistic numeric algorithms on real scientific problems from astrometry and astronomical imaging, while highlighting open problems with these new algorithms. Finally, we describe how probabilistic numerical methods provide a coherent framework for identifying the uncertainty in calculations performed with a combination of numerical algorithms (e.g. both numerical optimizers and differential equation solvers), potentially allowing the diagnosis (and control) of error sources in computations. PMID:26346321

Probabilistic numerics and uncertainty in computations.

PubMed

Hennig, Philipp; Osborne, Michael A; Girolami, Mark

2015-07-08

We deliver a call to arms for probabilistic numerical methods : algorithms for numerical tasks, including linear algebra, integration, optimization and solving differential equations, that return uncertainties in their calculations. Such uncertainties, arising from the loss of precision induced by numerical calculation with limited time or hardware, are important for much contemporary science and industry. Within applications such as climate science and astrophysics, the need to make decisions on the basis of computations with large and complex data have led to a renewed focus on the management of numerical uncertainty. We describe how several seminal classic numerical methods can be interpreted naturally as probabilistic inference. We then show that the probabilistic view suggests new algorithms that can flexibly be adapted to suit application specifics, while delivering improved empirical performance. We provide concrete illustrations of the benefits of probabilistic numeric algorithms on real scientific problems from astrometry and astronomical imaging, while highlighting open problems with these new algorithms. Finally, we describe how probabilistic numerical methods provide a coherent framework for identifying the uncertainty in calculations performed with a combination of numerical algorithms (e.g. both numerical optimizers and differential equation solvers), potentially allowing the diagnosis (and control) of error sources in computations.

Advanced numerical methods for three dimensional two-phase flow calculations

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

Toumi, I.; Caruge, D.

1997-07-01

This paper is devoted to new numerical methods developed for both one and three dimensional two-phase flow calculations. These methods are finite volume numerical methods and are based on the use of Approximate Riemann Solvers concepts to define convective fluxes versus mean cell quantities. The first part of the paper presents the numerical method for a one dimensional hyperbolic two-fluid model including differential terms as added mass and interface pressure. This numerical solution scheme makes use of the Riemann problem solution to define backward and forward differencing to approximate spatial derivatives. The construction of this approximate Riemann solver uses anmore » extension of Roe`s method that has been successfully used to solve gas dynamic equations. As far as the two-fluid model is hyperbolic, this numerical method seems very efficient for the numerical solution of two-phase flow problems. The scheme was applied both to shock tube problems and to standard tests for two-fluid computer codes. The second part describes the numerical method in the three dimensional case. The authors discuss also some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. Such a scheme is not implemented in a thermal-hydraulic computer code devoted to 3-D steady-state and transient computations. Some results obtained for Pressurised Water Reactors concerning upper plenum calculations and a steady state flow in the core with rod bow effect evaluation are presented. In practice these new numerical methods have proved to be stable on non staggered grids and capable of generating accurate non oscillating solutions for two-phase flow calculations.« less

Numerical investigation of finite-volume effects for the HVP

NASA Astrophysics Data System (ADS)

Boyle, Peter; Gülpers, Vera; Harrison, James; Jüttner, Andreas; Portelli, Antonin; Sachrajda, Christopher

2018-03-01

It is important to correct for finite-volume (FV) effects in the presence of QED, since these effects are typically large due to the long range of the electromagnetic interaction. We recently made the first lattice calculation of electromagnetic corrections to the hadronic vacuum polarisation (HVP). For the HVP, an analytical derivation of FV corrections involves a two-loop calculation which has not yet been carried out. We instead calculate the universal FV corrections numerically, using lattice scalar QED as an effective theory. We show that this method gives agreement with known analytical results for scalar mass FV effects, before applying it to calculate FV corrections for the HVP. This method for numerical calculation of FV effects is also widely applicable to quantities beyond the HVP.

Comparing Psychology Undergraduates' Performance in Probabilistic Reasoning under Verbal-Numerical and Graphical-Pictorial Problem Presentation Format: What Is the Role of Individual and Contextual Dimensions?

ERIC Educational Resources Information Center

Agus, Mirian; Peró-Cebollero, Maribel; Penna, Maria Pietronilla; Guàrdia-Olmos, Joan

2015-01-01

This study aims to investigate about the existence of a graphical facilitation effect on probabilistic reasoning. Measures of undergraduates' performances on problems presented in both verbal-numerical and graphical-pictorial formats have been related to visuo-spatial and numerical prerequisites, to statistical anxiety, to attitudes towards…

Efficient Numerical Methods for Nonlinear-Facilitated Transport and Exchange in a Blood-Tissue Exchange Unit

PubMed Central

Poulain, Christophe A.; Finlayson, Bruce A.; Bassingthwaighte, James B.

2010-01-01

The analysis of experimental data obtained by the multiple-indicator method requires complex mathematical models for which capillary blood-tissue exchange (BTEX) units are the building blocks. This study presents a new, nonlinear, two-region, axially distributed, single capillary, BTEX model. A facilitated transporter model is used to describe mass transfer between plasma and intracellular spaces. To provide fast and accurate solutions, numerical techniques suited to nonlinear convection-dominated problems are implemented. These techniques are the random choice method, an explicit Euler-Lagrange scheme, and the MacCormack method with and without flux correction. The accuracy of the numerical techniques is demonstrated, and their efficiencies are compared. The random choice, Euler-Lagrange and plain MacCormack method are the best numerical techniques for BTEX modeling. However, the random choice and Euler-Lagrange methods are preferred over the MacCormack method because they allow for the derivation of a heuristic criterion that makes the numerical methods stable without degrading their efficiency. Numerical solutions are also used to illustrate some nonlinear behaviors of the model and to show how the new BTEX model can be used to estimate parameters from experimental data. PMID:9146808

Analytical Model for Estimating the Zenith Angle Dependence of Terrestrial Cosmic Ray Fluxes

PubMed Central

Sato, Tatsuhiko

2016-01-01

A new model called “PHITS-based Analytical Radiation Model in the Atmosphere (PARMA) version 4.0” was developed to facilitate instantaneous estimation of not only omnidirectional but also angular differential energy spectra of cosmic ray fluxes anywhere in Earth’s atmosphere at nearly any given time. It consists of its previous version, PARMA3.0, for calculating the omnidirectional fluxes and several mathematical functions proposed in this study for expressing their zenith-angle dependences. The numerical values of the parameters used in these functions were fitted to reproduce the results of the extensive air shower simulation performed by Particle and Heavy Ion Transport code System (PHITS). The angular distributions of ground-level muons at large zenith angles were specially determined by introducing an optional function developed on the basis of experimental data. The accuracy of PARMA4.0 was closely verified using multiple sets of experimental data obtained under various global conditions. This extension enlarges the model’s applicability to more areas of research, including design of cosmic-ray detectors, muon radiography, soil moisture monitoring, and cosmic-ray shielding calculation. PARMA4.0 is available freely and is easy to use, as implemented in the open-access EXcel-based Program for Calculating Atmospheric Cosmic-ray Spectrum (EXPACS). PMID:27490175

Analytical Model for Estimating the Zenith Angle Dependence of Terrestrial Cosmic Ray Fluxes.

PubMed

Sato, Tatsuhiko

2016-01-01

A new model called "PHITS-based Analytical Radiation Model in the Atmosphere (PARMA) version 4.0" was developed to facilitate instantaneous estimation of not only omnidirectional but also angular differential energy spectra of cosmic ray fluxes anywhere in Earth's atmosphere at nearly any given time. It consists of its previous version, PARMA3.0, for calculating the omnidirectional fluxes and several mathematical functions proposed in this study for expressing their zenith-angle dependences. The numerical values of the parameters used in these functions were fitted to reproduce the results of the extensive air shower simulation performed by Particle and Heavy Ion Transport code System (PHITS). The angular distributions of ground-level muons at large zenith angles were specially determined by introducing an optional function developed on the basis of experimental data. The accuracy of PARMA4.0 was closely verified using multiple sets of experimental data obtained under various global conditions. This extension enlarges the model's applicability to more areas of research, including design of cosmic-ray detectors, muon radiography, soil moisture monitoring, and cosmic-ray shielding calculation. PARMA4.0 is available freely and is easy to use, as implemented in the open-access EXcel-based Program for Calculating Atmospheric Cosmic-ray Spectrum (EXPACS).

Calculation of plasma dielectric response in inhomogeneous magnetic field near electron cyclotron resonance

NASA Astrophysics Data System (ADS)

Evstatiev, Evstati; Svidzinski, Vladimir; Spencer, Andy; Galkin, Sergei

2014-10-01

Full wave 3-D modeling of RF fields in hot magnetized nonuniform plasma requires calculation of nonlocal conductivity kernel describing the dielectric response of such plasma to the RF field. In many cases, the conductivity kernel is a localized function near the test point which significantly simplifies numerical solution of the full wave 3-D problem. Preliminary results of feasibility analysis of numerical calculation of the conductivity kernel in a 3-D hot nonuniform magnetized plasma in the electron cyclotron frequency range will be reported. This case is relevant to modeling of ECRH in ITER. The kernel is calculated by integrating the linearized Vlasov equation along the unperturbed particle's orbits. Particle's orbits in the nonuniform equilibrium magnetic field are calculated numerically by one of the Runge-Kutta methods. RF electric field is interpolated on a specified grid on which the conductivity kernel is discretized. The resulting integrals in the particle's initial velocity and time are then calculated numerically. Different optimization approaches of the integration are tested in this feasibility analysis. Work is supported by the U.S. DOE SBIR program.

Combined Uncertainty and A-Posteriori Error Bound Estimates for General CFD Calculations: Theory and Software Implementation

NASA Technical Reports Server (NTRS)

Barth, Timothy J.

2014-01-01

This workshop presentation discusses the design and implementation of numerical methods for the quantification of statistical uncertainty, including a-posteriori error bounds, for output quantities computed using CFD methods. Hydrodynamic realizations often contain numerical error arising from finite-dimensional approximation (e.g. numerical methods using grids, basis functions, particles) and statistical uncertainty arising from incomplete information and/or statistical characterization of model parameters and random fields. The first task at hand is to derive formal error bounds for statistics given realizations containing finite-dimensional numerical error [1]. The error in computed output statistics contains contributions from both realization error and the error resulting from the calculation of statistics integrals using a numerical method. A second task is to devise computable a-posteriori error bounds by numerically approximating all terms arising in the error bound estimates. For the same reason that CFD calculations including error bounds but omitting uncertainty modeling are only of limited value, CFD calculations including uncertainty modeling but omitting error bounds are only of limited value. To gain maximum value from CFD calculations, a general software package for uncertainty quantification with quantified error bounds has been developed at NASA. The package provides implementations for a suite of numerical methods used in uncertainty quantification: Dense tensorization basis methods [3] and a subscale recovery variant [1] for non-smooth data, Sparse tensorization methods[2] utilizing node-nested hierarchies, Sampling methods[4] for high-dimensional random variable spaces.

Do different types of school mathematics development depend on different constellations of numerical versus general cognitive abilities?

PubMed

Fuchs, Lynn S; Geary, David C; Compton, Donald L; Fuchs, Douglas; Hamlett, Carol L; Seethaler, Pamela M; Bryant, Joan D; Schatschneider, Christopher

2010-11-01

The purpose of this study was to examine the interplay between basic numerical cognition and domain-general abilities (such as working memory) in explaining school mathematics learning. First graders (N = 280; mean age = 5.77 years) were assessed on 2 types of basic numerical cognition, 8 domain-general abilities, procedural calculations, and word problems in fall and then reassessed on procedural calculations and word problems in spring. Development was indexed by latent change scores, and the interplay between numerical and domain-general abilities was analyzed by multiple regression. Results suggest that the development of different types of formal school mathematics depends on different constellations of numerical versus general cognitive abilities. When controlling for 8 domain-general abilities, both aspects of basic numerical cognition were uniquely predictive of procedural calculations and word problems development. Yet, for procedural calculations development, the additional amount of variance explained by the set of domain-general abilities was not significant, and only counting span was uniquely predictive. By contrast, for word problems development, the set of domain-general abilities did provide additional explanatory value, accounting for about the same amount of variance as the basic numerical cognition variables. Language, attentive behavior, nonverbal problem solving, and listening span were uniquely predictive.

Speedup for quantum optimal control from automatic differentiation based on graphics processing units

NASA Astrophysics Data System (ADS)

Leung, Nelson; Abdelhafez, Mohamed; Koch, Jens; Schuster, David

2017-04-01

We implement a quantum optimal control algorithm based on automatic differentiation and harness the acceleration afforded by graphics processing units (GPUs). Automatic differentiation allows us to specify advanced optimization criteria and incorporate them in the optimization process with ease. We show that the use of GPUs can speedup calculations by more than an order of magnitude. Our strategy facilitates efficient numerical simulations on affordable desktop computers and exploration of a host of optimization constraints and system parameters relevant to real-life experiments. We demonstrate optimization of quantum evolution based on fine-grained evaluation of performance at each intermediate time step, thus enabling more intricate control on the evolution path, suppression of departures from the truncated model subspace, as well as minimization of the physical time needed to perform high-fidelity state preparation and unitary gates.

Numerical investigation of a laser gun injector at CEBAF

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

Byung Yunn; Charles Sinclair; David Neuffer

1993-08-23

A laser gun injector is being developed based on the superconducting rf technologies established at CEBAF. This injector will serve as a high charge cw source for a high power free electron laser. It consists of a dc laser gun, a buncher, a cryounit and a chicane. Its space-charge-dominated performance has been thoroughly investigated using the time-consuming but more appropriate point-by-point space charge calculation method in PARMELA. The notion of ``conditioning for final bunching'' will be introduced. This concept has been built into the code and has greatly facilitated the optimization of the whole system to achieve the highest possiblemore » peak current while maintaining low emittance and low energy spread. Extensive parameter variation studies have shown that the design will perform better than the specifications.« less

A closed form, physical optics expression for the radar cross section of a perfectly conducting flat plate over a dielectric half-space

NASA Astrophysics Data System (ADS)

Anastassiu, Hristos T.

2003-04-01

The physical optics approximation is employed in the derivation of a closed form expression for the radar cross section (RCS) of a flat, perfectly conducting plate of various shapes, located over a dielectric, possibly lossy half-space. The half-space is assumed to lie in the far field region of the plate. The well-known "four-path model" is invoked in a first-order approximation of the half-space contribution to the scattering mechanisms. Numerical results are compared to a reference, Moment Method solution, and the agreement is investigated, to assess the accuracy of the approximations used. The analytical expressions derived can facilitate very fast RCS calculations for realistic scatterers, such as ships in a sea environment, or aircraft flying low over the ground.

A numerical algorithm for the explicit calculation of SU(N) and SL(N,C) Clebsch-Gordan coefficients

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

Alex, Arne; Delft, Jan von; Kalus, Matthias

2011-02-15

We present an algorithm for the explicit numerical calculation of SU(N) and SL(N,C) Clebsch-Gordan coefficients, based on the Gelfand-Tsetlin pattern calculus. Our algorithm is well suited for numerical implementation; we include a computer code in an appendix. Our exposition presumes only familiarity with the representation theory of SU(2).

Task-specific performance effects with different numeric keypad layouts.

PubMed

Armand, Jenny T; Redick, Thomas S; Poulsen, Joan R

2014-07-01

Two commonly used keypad arrangements are the telephone and calculator layouts. The purpose of this study was to determine if entering different types of numeric information was quicker and more accurate with the telephone or the calculator layout on a computer keyboard numeric keypad. Fifty-seven participants saw a 10-digit numeric stimulus to type with a computer number keypad as quickly and as accurately as possible. Stimuli were presented in either a numerical [1,234,567,890] or phone [(123) 456-7890] format. The results indicated that participants' memory of the layout for the arrangement of keys on a telephone was significantly better than the layout of a calculator. In addition, the results showed that participants were more accurate when entering stimuli using the calculator keypad layout. Critically, participants' response times showed an interaction of stimulus format and keypad layout: participants were specifically slowed when entering numeric stimuli using a telephone keypad layout. Responses made using the middle row of keys were faster and more accurate than responses using the top and bottom row of keys. Implications for keypad design and cell phone usage are discussed. Copyright © 2013 Elsevier Ltd and The Ergonomics Society. All rights reserved.

Mathematical Basis and Test Cases for Colloid-Facilitated Radionuclide Transport Modeling in GDSA-PFLOTRAN

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

Reimus, Paul William

This report provides documentation of the mathematical basis for a colloid-facilitated radionuclide transport modeling capability that can be incorporated into GDSA-PFLOTRAN. It also provides numerous test cases against which the modeling capability can be benchmarked once the model is implemented numerically in GDSA-PFLOTRAN. The test cases were run using a 1-D numerical model developed by the author, and the inputs and outputs from the 1-D model are provided in an electronic spreadsheet supplement to this report so that all cases can be reproduced in GDSA-PFLOTRAN, and the outputs can be directly compared with the 1-D model. The cases include examplesmore » of all potential scenarios in which colloid-facilitated transport could result in the accelerated transport of a radionuclide relative to its transport in the absence of colloids. Although it cannot be claimed that all the model features that are described in the mathematical basis were rigorously exercised in the test cases, the goal was to test the features that matter the most for colloid-facilitated transport; i.e., slow desorption of radionuclides from colloids, slow filtration of colloids, and equilibrium radionuclide partitioning to colloids that is strongly favored over partitioning to immobile surfaces, resulting in a substantial fraction of radionuclide mass being associated with mobile colloids.« less

The Numerical Calculation and Experimental Measurement of the Inductance Parameters for Permanent Magnet Synchronous Motor in Electric Vehicle

NASA Astrophysics Data System (ADS)

Jiang, Chao; Qiao, Mingzhong; Zhu, Peng

2017-12-01

A permanent magnet synchronous motor with radial magnetic circuit and built-in permanent magnet is designed for the electric vehicle. Finite element numerical calculation and experimental measurement are adopted to obtain the direct axis and quadrature axis inductance parameters of the motor which are vital important for the motor control. The calculation method is simple, the measuring principle is clear, the results of numerical calculation and experimental measurement are mutual confirmation. A quick and effective method is provided to obtain the direct axis and quadrature axis inductance parameters of the motor, and then improve the design of motor or adjust the control parameters of the motor controller.

Numerical simulation of hydrodynamic flows in the jet electric

NASA Astrophysics Data System (ADS)

Sarychev, V. D.; Granovskii, A. Yu; Nevskii, S. A.

2016-02-01

On the basis of concepts from magnetic hydrodynamics the mathematical model of hydrodynamic flows in the stream of electric arc plasma, obtained between the rod electrode and the target located perpendicular to the flat conductive, was developed. The same phenomenon occurs in the welding arc, arc plasma and other injection sources of charged particles. The model is based on the equations of magnetic hydrodynamics with special boundary conditions. The obtained system of equations was solved by the numerical method of finite elements with an automatic selection of the time step. Calculations were carried out with regard to the normal plasma inleakage on the solid conducting surface and the surface with the orifice. It was found that the solid surface facilitates three swirling zones. Interaction of these zones leads to the formation of two stable swirling zones, one of which is located at a distance of two radii from the axis and midway between the electrodes, another is located in the immediate vicinity of the continuous electrode. In this zone plasma backflow scattering fine particles is created. Swirling zones are not formed by using the plane electrode with an orifice. Thus, the fine particles can pass through it and consolidate.

A NARROW SHORT-DURATION GRB JET FROM A WIDE CENTRAL ENGINE

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

Duffell, Paul C.; Quataert, Eliot; MacFadyen, Andrew I., E-mail: duffell@berkeley.edu

2015-11-01

We use two-dimensional relativistic hydrodynamic numerical calculations to show that highly collimated relativistic jets can be produced in neutron star merger models of short-duration gamma-ray bursts (GRBs) without the need for a highly directed engine or a large net magnetic flux. Even a hydrodynamic engine generating a very wide sustained outflow on small scales can, in principle, produce a highly collimated relativistic jet, facilitated by a dense surrounding medium that provides a cocoon surrounding the jet core. An oblate geometry to the surrounding gas significantly enhances the collimation process. Previous numerical simulations have shown that the merger of two neutronmore » stars produces an oblate, expanding cloud of dynamical ejecta. We show that this gas can efficiently collimate the central engine power much like the surrounding star does in long-duration GRB models. For typical short-duration GRB central engine parameters, we find jets with opening angles of an order of 10° in which a large fraction of the total outflow power of the central engine resides in highly relativistic material. These results predict large differences in the opening angles of outflows from binary neutron star mergers versus neutron star–black hole mergers.« less

Simultaneous Raman-Rayleigh-LIF Measurements and Numerical Modeling Results of a Lifted H2/N2 Turbulent Jet Flame in a Vitiated Coflow

NASA Technical Reports Server (NTRS)

Cabra, R.; Chen, J. Y.; Dibble, R. W.; Hamano, Y.; Karpetis, A. N.; Barlow, R. S.

2002-01-01

An experimental and numerical investigation is presented of a H2/N2 turbulent jet flame burner that has a novel vitiated coflow. The vitiated coflow emulates the recirculation region of most combustors, such as gas turbines or furnaces. Additionally, since the vitiated gases are coflowing, the burner allows for exploration of recirculation chemistry without the corresponding fluid mechanics of recirculation. Thus the vitiated coflow burner design facilitates the development of chemical kinetic combustion models without the added complexity of recirculation fluid mechanics. Scalar measurements are reported for a turbulent jet flame of H2/N2 in a coflow of combustion products from a lean ((empty set) = 0.25) H2/Air flame. The combination of laser-induced fluorescence, Rayleigh scattering, and Raman scattering is used to obtain simultaneous measurements of the temperature, major species, as well as OH and NO. Laminar flame calculation with equal diffusivity do agree when the premixing and preheating that occurs prior to flame stabilization is accounted for in the boundary conditions. Also presented is an exploratory pdf model that predicts the flame's axial profiles fairly well, but does not accurately predict the lift-off height.

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

NASA Technical Reports Server (NTRS)

Morris, C. I.

2013-01-01

The last two decades have witnessed tremendous growth in computational power, the development of computational fluid dynamics (CFD) codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. Thus, engineering calculations of 10(exp 7) - 10(exp 8) finite-volume cells have become routine for some types of problems. Although the Reynolds Averaged Navier Stokes (RANS) approach to modeling turbulence is still in extensive and wide use, increasingly large-eddy simulation (LES) and hybrid RANS-LES approaches are being applied to resolve the largest scales of turbulence in many engineering problems. However, it has also become evident that LES places different requirements on the numerical approaches for both the spatial and temporal discretization of the Navier Stokes equations than does RANS. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide spectral range. In this paper, the performance of both central-difference and upwind-biased spatial discretizations is examined for a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem, and the turbulent channel fl ow problem.

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

NASA Technical Reports Server (NTRS)

Morris, Christopher I.

2013-01-01

The last two decades have witnessed tremendous growth in computational power, the development of computational fluid dynamics (CFD) codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. Thus, engineering calculations of 10(exp 7) - 10(exp 8) finite-volume cells have become routine for some types of problems. Although the Reynolds Averaged Navier Stokes (RANS) approach to modeling turbulence is still in extensive and wide use, increasingly large-eddy simulation (LES) and hybrid RANS-LES approaches are being applied to resolve the largest scales of turbulence in many engineering problems. However, it has also become evident that LES places different requirements on the numerical approaches for both the spatial and temporal discretization of the Navier Stokes equations than does RANS. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide spectral range. In this paper, the performance of both central-difference and upwind-biased spatial discretizations is examined for a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem, and the turbulent channel ow problem.

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

NASA Astrophysics Data System (ADS)

Zhang, Yingnan; Hu, Xingbiao; Sun, Jianqing

2018-02-01

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

Numerical two-dimensional calculations of the formation of the solar nebula

NASA Technical Reports Server (NTRS)

Bodenheimer, Peter H.

1991-01-01

Numerical two dimensional calculations of the formation of the solar nebula are presented. The following subject areas are covered: (1) observational constraints of the properties of the initial solar nebula; (2) the physical problem; (3) review if two dimensional calculations of the formation phase; (4) recent models with hydrodynamics and radiative transport; and (5) further evolution of the system.

A hypersonic aeroheating calculation method based on inviscid outer edge of boundary layer parameters

NASA Astrophysics Data System (ADS)

Meng, ZhuXuan; Fan, Hu; Peng, Ke; Zhang, WeiHua; Yang, HuiXin

2016-12-01

This article presents a rapid and accurate aeroheating calculation method for hypersonic vehicles. The main innovation is combining accurate of numerical method with efficient of engineering method, which makes aeroheating simulation more precise and faster. Based on the Prandtl boundary layer theory, the entire flow field is divided into inviscid and viscid flow at the outer edge of the boundary layer. The parameters at the outer edge of the boundary layer are numerically calculated from assuming inviscid flow. The thermodynamic parameters of constant-volume specific heat, constant-pressure specific heat and the specific heat ratio are calculated, the streamlines on the vehicle surface are derived and the heat flux is then obtained. The results of the double cone show that at the 0° and 10° angle of attack, the method of aeroheating calculation based on inviscid outer edge of boundary layer parameters reproduces the experimental data better than the engineering method. Also the proposed simulation results of the flight vehicle reproduce the viscid numerical results well. Hence, this method provides a promising way to overcome the high cost of numerical calculation and improves the precision.

An integrated user-friendly ArcMAP tool for bivariate statistical modeling in geoscience applications

NASA Astrophysics Data System (ADS)

Jebur, M. N.; Pradhan, B.; Shafri, H. Z. M.; Yusof, Z.; Tehrany, M. S.

2014-10-01

Modeling and classification difficulties are fundamental issues in natural hazard assessment. A geographic information system (GIS) is a domain that requires users to use various tools to perform different types of spatial modeling. Bivariate statistical analysis (BSA) assists in hazard modeling. To perform this analysis, several calculations are required and the user has to transfer data from one format to another. Most researchers perform these calculations manually by using Microsoft Excel or other programs. This process is time consuming and carries a degree of uncertainty. The lack of proper tools to implement BSA in a GIS environment prompted this study. In this paper, a user-friendly tool, BSM (bivariate statistical modeler), for BSA technique is proposed. Three popular BSA techniques such as frequency ratio, weights-of-evidence, and evidential belief function models are applied in the newly proposed ArcMAP tool. This tool is programmed in Python and is created by a simple graphical user interface, which facilitates the improvement of model performance. The proposed tool implements BSA automatically, thus allowing numerous variables to be examined. To validate the capability and accuracy of this program, a pilot test area in Malaysia is selected and all three models are tested by using the proposed program. Area under curve is used to measure the success rate and prediction rate. Results demonstrate that the proposed program executes BSA with reasonable accuracy. The proposed BSA tool can be used in numerous applications, such as natural hazard, mineral potential, hydrological, and other engineering and environmental applications.

An integrated user-friendly ArcMAP tool for bivariate statistical modelling in geoscience applications

NASA Astrophysics Data System (ADS)

Jebur, M. N.; Pradhan, B.; Shafri, H. Z. M.; Yusoff, Z. M.; Tehrany, M. S.

2015-03-01

Modelling and classification difficulties are fundamental issues in natural hazard assessment. A geographic information system (GIS) is a domain that requires users to use various tools to perform different types of spatial modelling. Bivariate statistical analysis (BSA) assists in hazard modelling. To perform this analysis, several calculations are required and the user has to transfer data from one format to another. Most researchers perform these calculations manually by using Microsoft Excel or other programs. This process is time-consuming and carries a degree of uncertainty. The lack of proper tools to implement BSA in a GIS environment prompted this study. In this paper, a user-friendly tool, bivariate statistical modeler (BSM), for BSA technique is proposed. Three popular BSA techniques, such as frequency ratio, weight-of-evidence (WoE), and evidential belief function (EBF) models, are applied in the newly proposed ArcMAP tool. This tool is programmed in Python and created by a simple graphical user interface (GUI), which facilitates the improvement of model performance. The proposed tool implements BSA automatically, thus allowing numerous variables to be examined. To validate the capability and accuracy of this program, a pilot test area in Malaysia is selected and all three models are tested by using the proposed program. Area under curve (AUC) is used to measure the success rate and prediction rate. Results demonstrate that the proposed program executes BSA with reasonable accuracy. The proposed BSA tool can be used in numerous applications, such as natural hazard, mineral potential, hydrological, and other engineering and environmental applications.

An efficient technique for the numerical solution of the bidomain equations.

PubMed

Whiteley, Jonathan P

2008-08-01

Computing the numerical solution of the bidomain equations is widely accepted to be a significant computational challenge. In this study we extend a previously published semi-implicit numerical scheme with good stability properties that has been used to solve the bidomain equations (Whiteley, J.P. IEEE Trans. Biomed. Eng. 53:2139-2147, 2006). A new, efficient numerical scheme is developed which utilizes the observation that the only component of the ionic current that must be calculated on a fine spatial mesh and updated frequently is the fast sodium current. Other components of the ionic current may be calculated on a coarser mesh and updated less frequently, and then interpolated onto the finer mesh. Use of this technique to calculate the transmembrane potential and extracellular potential induces very little error in the solution. For the simulations presented in this study an increase in computational efficiency of over two orders of magnitude over standard numerical techniques is obtained.

Analytical modeling and feasibility study of a multi-GPU cloud-based server (MGCS) framework for non-voxel-based dose calculations.

PubMed

Neylon, J; Min, Y; Kupelian, P; Low, D A; Santhanam, A

2017-04-01

In this paper, a multi-GPU cloud-based server (MGCS) framework is presented for dose calculations, exploring the feasibility of remote computing power for parallelization and acceleration of computationally and time intensive radiotherapy tasks in moving toward online adaptive therapies. An analytical model was developed to estimate theoretical MGCS performance acceleration and intelligently determine workload distribution. Numerical studies were performed with a computing setup of 14 GPUs distributed over 4 servers interconnected by a 1 Gigabits per second (Gbps) network. Inter-process communication methods were optimized to facilitate resource distribution and minimize data transfers over the server interconnect. The analytically predicted computation time predicted matched experimentally observations within 1-5 %. MGCS performance approached a theoretical limit of acceleration proportional to the number of GPUs utilized when computational tasks far outweighed memory operations. The MGCS implementation reproduced ground-truth dose computations with negligible differences, by distributing the work among several processes and implemented optimization strategies. The results showed that a cloud-based computation engine was a feasible solution for enabling clinics to make use of fast dose calculations for advanced treatment planning and adaptive radiotherapy. The cloud-based system was able to exceed the performance of a local machine even for optimized calculations, and provided significant acceleration for computationally intensive tasks. Such a framework can provide access to advanced technology and computational methods to many clinics, providing an avenue for standardization across institutions without the requirements of purchasing, maintaining, and continually updating hardware.

Neuronal Correlation Parameter and the Idea of Thermodynamic Entropy of an N-Body Gravitationally Bounded System.

PubMed

Haranas, Ioannis; Gkigkitzis, Ioannis; Kotsireas, Ilias; Austerlitz, Carlos

2017-01-01

Understanding how the brain encodes information and performs computation requires statistical and functional analysis. Given the complexity of the human brain, simple methods that facilitate the interpretation of statistical correlations among different brain regions can be very useful. In this report we introduce a numerical correlation measure that may serve the interpretation of correlational neuronal data, and may assist in the evaluation of different brain states. The description of the dynamical brain system, through a global numerical measure may indicate the presence of an action principle which may facilitate a application of physics principles in the study of the human brain and cognition.

A proposal for the measurement of graphical statistics effectiveness: Does it enhance or interfere with statistical reasoning?

NASA Astrophysics Data System (ADS)

Agus, M.; Penna, M. P.; Peró-Cebollero, M.; Guàrdia-Olmos, J.

2015-02-01

Numerous studies have examined students' difficulties in understanding some notions related to statistical problems. Some authors observed that the presentation of distinct visual representations could increase statistical reasoning, supporting the principle of graphical facilitation. But other researchers disagree with this viewpoint, emphasising the impediments related to the use of illustrations that could overcharge the cognitive system with insignificant data. In this work we aim at comparing the probabilistic statistical reasoning regarding two different formats of problem presentations: graphical and verbal-numerical. We have conceived and presented five pairs of homologous simple problems in the verbal numerical and graphical format to 311 undergraduate Psychology students (n=156 in Italy and n=155 in Spain) without statistical expertise. The purpose of our work was to evaluate the effect of graphical facilitation in probabilistic statistical reasoning. Every undergraduate has solved each pair of problems in two formats in different problem presentation orders and sequences. Data analyses have highlighted that the effect of graphical facilitation is infrequent in psychology undergraduates. This effect is related to many factors (as knowledge, abilities, attitudes, and anxiety); moreover it might be considered the resultant of interaction between individual and task characteristics.

[The functional independence of lexical numeric knowledge and the representation of magnitude: evidence from one case].

PubMed

Salguero-Alcañiz, M P; Lorca-Marín, J A; Alameda-Bailén, J R

The ultimate purpose of cognitive neuropsychology is to find out how normal cognitive processes work. To this end, it studies subjects who have suffered brain damage but who, until their accident, were competent in the skills that are later to become the object of study. It is therefore necessary to study patients who have difficulty in processing numbers and in calculating in order to further our knowledge of these processes in the normal population. Our aim was to analyse the relationships between the different cognitive processes involved in numeric knowledge. We studied the case of a female patient who suffered an ischemic infarct in the perisylvian region, on both a superficial and deep level. She presented predominantly expressive mixed aphasia and predominantly brachial hemiparesis. Numeric processing and calculation were evaluated. The patient still had her lexical numeric knowledge but her quantitative numeric knowledge was impaired. These alterations in the quantitative numeric knowledge are evidenced by the difficulties the patient had in numeric comprehension tasks, as well as the severe impairments displayed in calculation. These findings allow us to conclude that quantitative numeric knowledge is functionally independent of lexical or non-quantitative numeric knowledge. From this functional autonomy, a possible structural independence can be inferred.

Computer Facilitated Mathematical Methods in Chemical Engineering--Similarity Solution

ERIC Educational Resources Information Center

Subramanian, Venkat R.

2006-01-01

High-performance computers coupled with highly efficient numerical schemes and user-friendly software packages have helped instructors to teach numerical solutions and analysis of various nonlinear models more efficiently in the classroom. One of the main objectives of a model is to provide insight about the system of interest. Analytical…

Numerical Conceptions Reflected during Multiage Child-Initiated Pretend Play

ERIC Educational Resources Information Center

Emfinger, Kay

2009-01-01

Much research has pointed to the importance of pretend play as a facilitator of literacy development. However, few studies have investigated the corresponding role of sociodramatic play in mathematical development. This exploratory naturalistic study examined the numerate behaviors that occurred during spontaneous pretend play in a preschool…

Effect of Atmospheric Absorption Bands on the Optimal Design of Multijunction Solar Cells

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

McMahon, William E.; Friedman, Daniel J.; Geisz, John F.

Designing terrestrial multijunction (MJ) cells with 5+ junctions is challenging, in part because the presence of atmospheric absorption bands creates a design space with numerous local maxima. Here we introduce a new taxonomical structure which facilitates both numerical convergence and the visualization of the resulting designs.

Results of a feasibility study: barriers and facilitators in implementing the Sherbrooke model in France.

PubMed

Fassier, Jean-Baptiste; Durand, Marie-José; Caillard, Jean-François; Roquelaure, Yves; Loisel, Patrick

2015-05-01

Return-to-work interventions associated with the workplace environment are often more effective than conventional care. The Sherbrooke model is an integrated intervention that has proved successful in preventing work disability due to low-back pain. Implementation, however, runs up against many obstacles, and failure has been reported in many countries. The present study sought to identify barriers to and facilitators of the implementation of the Sherbrooke model within the French health system. A multiple case study with nested levels of analysis was performed in two regions of France. A conceptual framework was designed and refined to identify barriers and facilitators at the individual, organizational and contextual levels. Qualitative data were collected via semi-structured interview (N=22), focus groups (N=7), and observation and from the gray literature. Participants (N=61) belonged to three fields: healthcare, social insurance, and the workplace. Numerous barriers and facilitators were identified in each field and at each level, some specific and others common to workers in all fields. Individual and organizational barriers comprised lack of time and resources, discordant professional values, and perceived risk. Legal barriers comprised medical confidentiality, legal complexity, and priority given to primary prevention. Individual-level facilitators comprised needs and perceived benefits. Some organizations had concordant values and practices. Legal facilitators comprised possibilities of collaboration and gradual return to work. The present feasibility analysis of implementing the Sherbrooke model revealed numerous barriers and facilitators suggesting a new implementation strategy be drawn up if failure is to be avoided.

Barriers and facilitators to implementing the Baby-Friendly hospital initiative in neonatal intensive care units.

PubMed

Benoit, Britney; Semenic, Sonia

2014-01-01

To explore manager, educator, and clinical leader perceptions of barriers and facilitators to implementing Baby-Friendly practice in the neonatal intensive care unit (NICU). Qualitative, descriptive design. Two university-affiliated level-III NICUs in Canada. A purposive sample of 10 medical and nursing managers, nurse educators, lactation consultants, and neonatal nurse practitioners. In-depth, semistructured interviews transcribed and analyzed using qualitative content analysis. Participants valued breastfeeding and family-centered care yet identified numerous contextual barriers to Baby-Friendly care including infant health status, parent/infant separation, staff workloads and work patterns, gaps in staff knowledge and skills, and lack of continuity of breastfeeding support. Facilitators included breastfeeding education, breastfeeding champions, and interprofessional collaboration. Despite identifying numerous barriers, participants recognized the potential value of expanding the Baby-Friendly Hospital Initiative (BFHI) to the NICU setting. Recommendations include promoting BFHI as a facilitator of family-centered care, interdisciplinary staff education, increasing access to lactation consultants, and establishing a group of NICU champions dedicated to BFHI implementation. © 2014 AWHONN, the Association of Women's Health, Obstetric and Neonatal Nurses.

Numerical Simulation of Partially-Coherent Broadband Optical Imaging Using the FDTD Method

PubMed Central

Çapoğlu, İlker R.; White, Craig A.; Rogers, Jeremy D.; Subramanian, Hariharan; Taflove, Allen; Backman, Vadim

2012-01-01

Rigorous numerical modeling of optical systems has attracted interest in diverse research areas ranging from biophotonics to photolithography. We report the full-vector electromagnetic numerical simulation of a broadband optical imaging system with partially-coherent and unpolarized illumination. The scattering of light from the sample is calculated using the finite-difference time-domain (FDTD) numerical method. Geometrical optics principles are applied to the scattered light to obtain the intensity distribution at the image plane. Multilayered object spaces are also supported by our algorithm. For the first time, numerical FDTD calculations are directly compared to and shown to agree well with broadband experimental microscopy results. PMID:21540939

Ontology-Based Exchange and Immediate Application of Business Calculation Definitions for Online Analytical Processing

NASA Astrophysics Data System (ADS)

Kehlenbeck, Matthias; Breitner, Michael H.

Business users define calculated facts based on the dimensions and facts contained in a data warehouse. These business calculation definitions contain necessary knowledge regarding quantitative relations for deep analyses and for the production of meaningful reports. The business calculation definitions are implementation and widely organization independent. But no automated procedures facilitating their exchange across organization and implementation boundaries exist. Separately each organization currently has to map its own business calculations to analysis and reporting tools. This paper presents an innovative approach based on standard Semantic Web technologies. This approach facilitates the exchange of business calculation definitions and allows for their automatic linking to specific data warehouses through semantic reasoning. A novel standard proxy server which enables the immediate application of exchanged definitions is introduced. Benefits of the approach are shown in a comprehensive case study.

Spontaneous formation and dynamics of half-skyrmions in a chiral liquid-crystal film

NASA Astrophysics Data System (ADS)

Nych, Andriy; Fukuda, Jun-Ichi; Ognysta, Uliana; Žumer, Slobodan; Muševič, Igor

2017-12-01

Skyrmions are coreless vortex-like excitations emerging in diverse condensed-matter systems, and real-time observation of their dynamics is still challenging. Here we report the first direct optical observation of the spontaneous formation of half-skyrmions. In a thin film of a chiral liquid crystal, depending on experimental conditions including film thickness, they form a hexagonal lattice whose lattice constant is a few hundred nanometres, or appear as isolated entities with topological defects compensating their charge. These half-skyrmions exhibit intriguing dynamical behaviour driven by thermal fluctuations. Numerical calculations of real-space images successfully corroborate the experimental observations despite the challenge because of the characteristic scale of the structures close to the optical resolution limit. A thin film of a chiral liquid crystal thus offers an intriguing platform that facilitates a direct investigation of the dynamics of topological excitations such as half-skyrmions and their manipulation with optical techniques.

Proposal for the determination of nuclear masses by high-precision spectroscopy of Rydberg states

NASA Astrophysics Data System (ADS)

Wundt, B. J.; Jentschura, U. D.

2010-06-01

The theoretical treatment of Rydberg states in one-electron ions is facilitated by the virtual absence of the nuclear-size correction, and fundamental constants like the Rydberg constant may be in the reach of planned high-precision spectroscopic experiments. The dominant nuclear effect that shifts transition energies among Rydberg states therefore is due to the nuclear mass. As a consequence, spectroscopic measurements of Rydberg transitions can be used in order to precisely deduce nuclear masses. A possible application of this approach to hydrogen and deuterium, and hydrogen-like lithium and carbon is explored in detail. In order to complete the analysis, numerical and analytic calculations of the quantum electrodynamic self-energy remainder function for states with principal quantum number n = 5, ..., 8 and with angular momentum ell = n - 1 and ell = n - 2 are described \\big(j = \\ell \\pm {\\textstyle {\\frac{1}{2}}}\\big).

Parents’ Management of Children’s Pain at Home after Surgery

PubMed Central

Vincent, Catherine; Chiappetta, Maria; Beach, Abigail; Kiolbasa, Carolyn; Latta, Kelsey; Maloney, Rebekah; Van Roeyen, Linda Sue

2012-01-01

Purpose We tested Home Pain Management for Children (HPMC) for effects on pain intensity, analgesics administered, satisfaction, and use of healthcare services over 3 post-discharge days. Design and Methods In this quasi-experimental study with 108 children and their parents, we used the numeric rating scale (NRS) or the Faces Pain Scale-Revised (FPS-R), calculated percentages of analgesics administered, and asked questions about expectations, satisfaction, and services. Between-group differences were tested with t-tests and ANOVA. Results After HPMC, children reported moderate pain and parents administered more analgesics on 2 study days. Parents and children were satisfied; parents used few services. Written instructions and a brief interactive session were not sufficient to change parents’ analgesic administration practices to relieve their children’s pain. Practice Implications Further research is needed to develop and test effective education interventions to facilitate relief of children’s post-operative pain. PMID:22463471

Interferometric measurement of angular motion.

PubMed

Peña Arellano, Fabián Erasmo; Panjwani, Hasnain; Carbone, Ludovico; Speake, Clive C

2013-04-01

This paper describes the design and realization of a homodyne polarization interferometer for measuring angular motion. The optical layout incorporates carefully designed cat's eye retroreflectors that maximize the measurable range of angular motion and facilitate initial alignment. The retroreflectors are optimized and numerically characterized in terms of defocus and spherical aberrations using Zemax software for optical design. The linearity of the measurement is then calculated in terms of the aberrations. The actual physical interferometer is realized as a compact device with optical components from stock and without relying on adjustable holders. Evaluation of its performance using a commercial autocollimator confirmed a reproducibility within 0.1%, a non-linearity of less than 1 ppm with respect to the autocollimator, an upper limit to its sensitivity of about 5 × 10(-11) rad/Hz from audioband down to 100 mHz and an angular measurement range of more than ±1°.

Interferometric measurement of angular motion

NASA Astrophysics Data System (ADS)

Peña Arellano, Fabián Erasmo; Panjwani, Hasnain; Carbone, Ludovico; Speake, Clive C.

2013-04-01

This paper describes the design and realization of a homodyne polarization interferometer for measuring angular motion. The optical layout incorporates carefully designed cat's eye retroreflectors that maximize the measurable range of angular motion and facilitate initial alignment. The retroreflectors are optimized and numerically characterized in terms of defocus and spherical aberrations using Zemax software for optical design. The linearity of the measurement is then calculated in terms of the aberrations. The actual physical interferometer is realized as a compact device with optical components from stock and without relying on adjustable holders. Evaluation of its performance using a commercial autocollimator confirmed a reproducibility within 0.1%, a non-linearity of less than 1 ppm with respect to the autocollimator, an upper limit to its sensitivity of about 5 × 10-11 rad/sqrt{textrm {Hz}} from audioband down to 100 mHz and an angular measurement range of more than ±1°.

Limiting Energy Dissipation Induces Glassy Kinetics in Single-Cell High-Precision Responses

PubMed Central

Das, Jayajit

2016-01-01

Single cells often generate precise responses by involving dissipative out-of-thermodynamic-equilibrium processes in signaling networks. The available free energy to fuel these processes could become limited depending on the metabolic state of an individual cell. How does limiting dissipation affect the kinetics of high-precision responses in single cells? I address this question in the context of a kinetic proofreading scheme used in a simple model of early-time T cell signaling. Using exact analytical calculations and numerical simulations, I show that limiting dissipation qualitatively changes the kinetics in single cells marked by emergence of slow kinetics, large cell-to-cell variations of copy numbers, temporally correlated stochastic events (dynamic facilitation), and ergodicity breaking. Thus, constraints in energy dissipation, in addition to negatively affecting ligand discrimination in T cells, can create a fundamental difficulty in determining single-cell kinetics from cell-population results. PMID:26958894

Solar neutrino masses and mixing from bilinear R-parity broken supersymmetry: Analytical versus numerical results

NASA Astrophysics Data System (ADS)

Díaz, M.; Hirsch, M.; Porod, W.; Romão, J.; Valle, J.

2003-07-01

We give an analytical calculation of solar neutrino masses and mixing at one-loop order within bilinear R-parity breaking supersymmetry, and compare our results to the exact numerical calculation. Our method is based on a systematic perturbative expansion of R-parity violating vertices to leading order. We find in general quite good agreement between the approximate and full numerical calculations, but the approximate expressions are much simpler to implement. Our formalism works especially well for the case of the large mixing angle Mikheyev-Smirnov-Wolfenstein solution, now strongly favored by the recent KamLAND reactor neutrino data.

Calculation of Radar Probability of Detection in K-Distributed Sea Clutter and Noise

DTIC Science & Technology

2011-04-01

Laguerre polynomials are generated from a recurrence relation, and the nodes and weights are calculated from the eigenvalues and eigenvectors of a...B.P. Flannery, Numerical Recipes in Fortran, Second Edition, Cambridge University Press (1992). 12. W. Gautschi, Orthogonal Polynomials (in Matlab...the integration, with the nodes and weights calculated using matrix methods, so that a general purpose numerical integration routine is not required

Approximate method for calculating a thickwalled cylinder with rigidly clamped ends

NASA Astrophysics Data System (ADS)

Andreev, Vladimir

2018-03-01

Numerous papers dealing with the calculations of cylindrical bodies [1 -8 and others] have shown that analytic and numerical-analytical solutions in both homogeneous and inhomogeneous thick-walled shells can be obtained quite simply, using expansions in Fourier series on trigonometric functions, if the ends are hinged movable (sliding support). It is much more difficult to solve the problem of calculating shells with builtin ends.

Study on unsteady hydrodynamic performance of propeller in waves

NASA Astrophysics Data System (ADS)

Zhao, Qingxin; Guo, Chunyu; Su, Yumin; Liu, Tian; Meng, Xiangyin

2017-09-01

The speed of a ship sailing in waves always slows down due to the decrease in efficiency of the propeller. So it is necessary and essential to analyze the unsteady hydrodynamic performance of propeller in waves. This paper is based on the numerical simulation and experimental research of hydrodynamics performance when the propeller is under wave conditions. Open-water propeller performance in calm water is calculated by commercial codes and the results are compared to experimental values to evaluate the accuracy of the numerical simulation method. The first-order Volume of Fluid (VOF) wave method in STAR CCM+ is utilized to simulate the three-dimensional numerical wave. According to the above prerequisite, the numerical calculation of hydrodynamic performance of the propeller under wave conditions is conducted, and the results reveal that both thrust and torque of the propeller under wave conditions reveal intense unsteady behavior. With the periodic variation of waves, ventilation, and even an effluent phenomenon appears on the propeller. Calculation results indicate, when ventilation or effluent appears, the numerical calculation model can capture the dynamic characteristics of the propeller accurately, thus providing a significant theory foundation for further studying the hydrodynamic performance of a propeller in waves.

Two-phase flows in the formed tornado funnel

NASA Astrophysics Data System (ADS)

Sinkevich, O. A.; Bortsova, A. A.

2017-10-01

At present, it is obvious that the problem of the tornado is important not only for our planetЮ to determine the conditions for the formation of a tornado, it is required to take into account a number of hydrodynamic and plasma processes [1 - 6]. Along to prediction of a tornado generation conditions [1 - 3] it is necessary to evaluate the characteristics of its quasi-stationary motion in a formed funnel: the mass of the moving moist air involved in the funnel and the size and form of the funnel. For a complete description of the phenomena, it is necessary to involve numerical calculations. We note that even for numerical calculations using powerful computers, the problem is very difficult because of the need to calculate multiphase turbulent flows with free, self-organizing boundaries [1, 6]. However, “strict” numerical calculations, it is impossible to do without the use of many, often mutually exclusive, models. For example, how to choice an adequate model of turbulence (algebraic, k-ε model, etc.) or the use of additional, often not accepted, hypotheses about certain processes used in calculations (mechanisms on the nature of moisture condensation, etc.). Therefore, along with numerical calculations of such flows, modeling problems that allow an exact solution and allow to determine the most important and observed characteristics of a tornado.

Crossing the Communication Barrier: Facilitating Communication in Mixed Groups of Deaf and Hearing Students

ERIC Educational Resources Information Center

Marchetti, Carol; Foster, Susan; Long, Gary; Stinson, Michael

2012-01-01

Teachers of introductory technical courses such as statistics face numerous challenges in the classroom, including student motivation and mathematical background, and difficulties in interpreting numerical results in context. Cooperative learning through small groups addresses many such challenges, but students for whom spoken English is not their…

Semantic Processing in the Production of Numerals across Notations

ERIC Educational Resources Information Center

Herrera, Amparo; Macizo, Pedro

2012-01-01

In the present work, we conducted a series of experiments to explore the processing stages required to name numerals presented in different notations. To this end, we used the semantic blocking paradigm previously used in psycholinguist studies. We found a facilitative effect of the semantic blocked context relative to the mixed context for Arabic…

Studies of the nucler equation of state using numerical calculations of nuclear drop collisions

NASA Technical Reports Server (NTRS)

Alonso, C. T.; Leblanc, J. M.; Wilson, J. R.

1982-01-01

A numerical calculation for the full thermal dynamics of colliding nuclei was developed. Preliminary results are reported for the thermal fluid dynamics in such processes as Coulomb scattering, fusion, fusion-fission, bulk oscillations, compression with heating, and collisions of heated nuclei.

A Numerical Method for Solving the 3D Unsteady Incompressible Navier-Stokes Equations in Curvilinear Domains with Complex Immersed Boundaries.

PubMed

Ge, Liang; Sotiropoulos, Fotis

2007-08-01

A novel numerical method is developed that integrates boundary-conforming grids with a sharp interface, immersed boundary methodology. The method is intended for simulating internal flows containing complex, moving immersed boundaries such as those encountered in several cardiovascular applications. The background domain (e.g the empty aorta) is discretized efficiently with a curvilinear boundary-fitted mesh while the complex moving immersed boundary (say a prosthetic heart valve) is treated with the sharp-interface, hybrid Cartesian/immersed-boundary approach of Gilmanov and Sotiropoulos [1]. To facilitate the implementation of this novel modeling paradigm in complex flow simulations, an accurate and efficient numerical method is developed for solving the unsteady, incompressible Navier-Stokes equations in generalized curvilinear coordinates. The method employs a novel, fully-curvilinear staggered grid discretization approach, which does not require either the explicit evaluation of the Christoffel symbols or the discretization of all three momentum equations at cell interfaces as done in previous formulations. The equations are integrated in time using an efficient, second-order accurate fractional step methodology coupled with a Jacobian-free, Newton-Krylov solver for the momentum equations and a GMRES solver enhanced with multigrid as preconditioner for the Poisson equation. Several numerical experiments are carried out on fine computational meshes to demonstrate the accuracy and efficiency of the proposed method for standard benchmark problems as well as for unsteady, pulsatile flow through a curved, pipe bend. To demonstrate the ability of the method to simulate flows with complex, moving immersed boundaries we apply it to calculate pulsatile, physiological flow through a mechanical, bileaflet heart valve mounted in a model straight aorta with an anatomical-like triple sinus.

A Numerical Method for Solving the 3D Unsteady Incompressible Navier-Stokes Equations in Curvilinear Domains with Complex Immersed Boundaries

PubMed Central

Ge, Liang; Sotiropoulos, Fotis

2008-01-01

A novel numerical method is developed that integrates boundary-conforming grids with a sharp interface, immersed boundary methodology. The method is intended for simulating internal flows containing complex, moving immersed boundaries such as those encountered in several cardiovascular applications. The background domain (e.g the empty aorta) is discretized efficiently with a curvilinear boundary-fitted mesh while the complex moving immersed boundary (say a prosthetic heart valve) is treated with the sharp-interface, hybrid Cartesian/immersed-boundary approach of Gilmanov and Sotiropoulos [1]. To facilitate the implementation of this novel modeling paradigm in complex flow simulations, an accurate and efficient numerical method is developed for solving the unsteady, incompressible Navier-Stokes equations in generalized curvilinear coordinates. The method employs a novel, fully-curvilinear staggered grid discretization approach, which does not require either the explicit evaluation of the Christoffel symbols or the discretization of all three momentum equations at cell interfaces as done in previous formulations. The equations are integrated in time using an efficient, second-order accurate fractional step methodology coupled with a Jacobian-free, Newton-Krylov solver for the momentum equations and a GMRES solver enhanced with multigrid as preconditioner for the Poisson equation. Several numerical experiments are carried out on fine computational meshes to demonstrate the accuracy and efficiency of the proposed method for standard benchmark problems as well as for unsteady, pulsatile flow through a curved, pipe bend. To demonstrate the ability of the method to simulate flows with complex, moving immersed boundaries we apply it to calculate pulsatile, physiological flow through a mechanical, bileaflet heart valve mounted in a model straight aorta with an anatomical-like triple sinus. PMID:19194533

Experimental and numerical investigation of the roll motion behavior of a floating liquefied natural gas system

NASA Astrophysics Data System (ADS)

Zhao, WenHua; Yang, JianMin; Hu, ZhiQiang; Xiao, LongFei; Peng, Tao

2013-03-01

The present paper does an experimental and numerical investigation of the hydrodynamic interaction and the response of a single point turret-moored Floating Liquefied Natural Gas (FLNG) system, which is a new type of floating LNG (Liquid Natural Gas) platform that consists of a ship-type FPSO hull equipped with LNG storage tanks and liquefaction plants. In particular, this study focuses on the investigation of the roll response of FLNG hull in free-decay motions, white noise waves and also in irregular waves. Model tests of the FLNG system in 60%H filling condition excited by both white noise waves and irregular waves combined with steady wind and current have been carried out. Response Amplitude Operators (RAOs) and time histories of the responses are obtained for sway, roll and yaw motions. Obvious Low Frequency (LF) components of the roll motions are observed, which may be out of expectation. To facilitate the physical understanding of this phenomenon, we filter the roll motions at the period of 30 s into two parts: the Wave Frequency (WF) motions and the Low Frequency (LF) motions respectively. The results indicate that the LF motions are closely related to the sway and yaw motions. Possible reasons for the presence of the LF motions of roll have been discussed in detail, through the comparison with the sway and yaw motions. As for the numerical part, the simulation of the modeled case is conducted with the help of the software SESAM®. A good agreement between experiments and calculations is reported within the scope of trends. However, the numerical simulations should be further improved for the prediction of the FLNG system in the heading sea.

Identifying patients and clinical scenarios for use of long-acting injectable antipsychotics - expert consensus survey part 1.

PubMed

Sajatovic, Martha; Ross, Ruth; Legacy, Susan N; Correll, Christoph U; Kane, John M; DiBiasi, Faith; Fitzgerald, Heather; Byerly, Matthew

2018-01-01

To assess expert consensus on barriers and facilitators for long-acting injectable antipsychotic (LAI) use and provide clinical recommendations on issues where clinical evidence is lacking, including identifying appropriate clinical situations for LAI use. A 50-question survey comprising 916 response options was distributed to 42 research experts and high prescribers with extensive LAI experience. Respondents rated options on relative appropriateness/importance using a 9-point scale. Consensus was determined using chi-square test of score distributions. Mean (standard deviation) ratings were calculated. Responses to 29 questions (577 options) relating to appropriate patients and clinical scenarios for LAI use are reported. Recommendations aligned with research on risk factors for nonadherence and poor outcomes for patients with schizophrenia/schizoaffective or bipolar disorder. Findings suggested, contrary to general practice patterns, that LAI use may be appropriate earlier in the disease course and in younger patients. Results for bipolar disorder were similar to those for schizophrenia but with less consensus. Numerous facilitators of LAI prescribing were considered important, particularly that LAIs may reduce relapses and improve outcomes. Findings support wider use of LAIs in patients with schizophrenia/schizoaffective and bipolar disorders beyond the setting of poor adherence and earlier use in the disease course.

Stabilizing canonical-ensemble calculations in the auxiliary-field Monte Carlo method

NASA Astrophysics Data System (ADS)

Gilbreth, C. N.; Alhassid, Y.

2015-03-01

Quantum Monte Carlo methods are powerful techniques for studying strongly interacting Fermi systems. However, implementing these methods on computers with finite-precision arithmetic requires careful attention to numerical stability. In the auxiliary-field Monte Carlo (AFMC) method, low-temperature or large-model-space calculations require numerically stabilized matrix multiplication. When adapting methods used in the grand-canonical ensemble to the canonical ensemble of fixed particle number, the numerical stabilization increases the number of required floating-point operations for computing observables by a factor of the size of the single-particle model space, and thus can greatly limit the systems that can be studied. We describe an improved method for stabilizing canonical-ensemble calculations in AFMC that exhibits better scaling, and present numerical tests that demonstrate the accuracy and improved performance of the method.

Numerical wind-tunnel simulation for Spar platform

NASA Astrophysics Data System (ADS)

Shen, Wenjun

2017-05-01

ANSYS Fluent software is used in the simulation analysis of numerical wind tunnel model for the upper Spar platform module. Design Modeler (DM), Meshing, FLUENT and CFD-POST are chosen in the numerical calculation. And DM is used to deal with and repair the geometric model, and Meshing is used to mesh the model, Fluent is used to set up and solve the calculation condition, finally CFD-POST is used for post-processing of the results. The wind loads are obtained under different direction and incidence angles. Finally, comparison is made between numerical results and empirical formula.

Numerical and experimental study of a hydrodynamic cavitation tube

NASA Astrophysics Data System (ADS)

Hu, H.; Finch, J. A.; Zhou, Z.; Xu, Z.

1998-08-01

A numerical analysis of hydrodynamics in a cavitation tube used for activating fine particle flotation is described. Using numerical procedures developed for solving the turbulent k-ɛ model with boundary fitted coordinates, the stream function, vorticity, velocity, and pressure distributions in a cavitation tube were calculated. The calculated pressure distribution was found to be in excellent agreement with experimental results. The requirement of a pressure drop below approximately 10 m water for cavitation to occur was observed experimentally and confirmed by the model. The use of the numerical procedures for cavitation tube design is discussed briefly.

Computational methods for aerodynamic design using numerical optimization

NASA Technical Reports Server (NTRS)

Peeters, M. F.

1983-01-01

Five methods to increase the computational efficiency of aerodynamic design using numerical optimization, by reducing the computer time required to perform gradient calculations, are examined. The most promising method consists of drastically reducing the size of the computational domain on which aerodynamic calculations are made during gradient calculations. Since a gradient calculation requires the solution of the flow about an airfoil whose geometry was slightly perturbed from a base airfoil, the flow about the base airfoil is used to determine boundary conditions on the reduced computational domain. This method worked well in subcritical flow.

Particle yields from numerical simulations

NASA Astrophysics Data System (ADS)

Homor, Marietta M.; Jakovác, Antal

2018-04-01

In this paper we use numerical field theoretical simulations to calculate particle yields. We demonstrate that in the model of local particle creation the deviation from the pure exponential distribution is natural even in equilibrium, and an approximate Tsallis-Pareto-like distribution function can be well fitted to the calculated yields, in accordance with the experimental observations. We present numerical simulations in the classical Φ4 model as well as in the SU(3) quantum Yang-Mills theory to clarify this issue.

Unsteady laminar boundary-layer calculations on oscillating configurations including backflow. Part 1: Flat plate, oscillating in its own plane

NASA Technical Reports Server (NTRS)

Geissler, W.

1983-01-01

A finite difference method has been developed to calculate the unsteady boundary layer over an oscillating flat plate. Low- and high frequency approximations were used for comparison with numerical results. Special emphasis was placed on the behavior of the flow and on the numerical calculation procedure as soon as reversed flow has occurred over part of the oscillation cycle. The numerical method displayed neither problems nor singular behavior at the beginning of or within the reversed flow region. Calculations, however, came to a limit where the back-flow region reached the plate's leading edge in the case of high oscillation amplitudes. It is assumed that this limit is caused by the special behavior of the flow at the plate's leading edge where the boundary layer equations are not valid.

Quiet High Speed Fan (QHSF) Flutter Calculations Using the TURBO Code

NASA Technical Reports Server (NTRS)

Bakhle, Milind A.; Srivastava, Rakesh; Keith, Theo G., Jr.; Min, James B.; Mehmed, Oral

2006-01-01

A scale model of the NASA/Honeywell Engines Quiet High Speed Fan (QHSF) encountered flutter wind tunnel testing. This report documents aeroelastic calculations done for the QHSF scale model using the blade vibration capability of the TURBO code. Calculations at design speed were used to quantify the effect of numerical parameters on the aerodynamic damping predictions. This numerical study allowed the selection of appropriate values of these parameters, and also allowed an assessment of the variability in the calculated aerodynamic damping. Calculations were also done at 90 percent of design speed. The predicted trends in aerodynamic damping corresponded to those observed during testing.

Explicit tracking of uncertainty increases the power of quantitative rule-of-thumb reasoning in cell biology.

PubMed

Johnston, Iain G; Rickett, Benjamin C; Jones, Nick S

2014-12-02

Back-of-the-envelope or rule-of-thumb calculations involving rough estimates of quantities play a central scientific role in developing intuition about the structure and behavior of physical systems, for example in so-called Fermi problems in the physical sciences. Such calculations can be used to powerfully and quantitatively reason about biological systems, particularly at the interface between physics and biology. However, substantial uncertainties are often associated with values in cell biology, and performing calculations without taking this uncertainty into account may limit the extent to which results can be interpreted for a given problem. We present a means to facilitate such calculations where uncertainties are explicitly tracked through the line of reasoning, and introduce a probabilistic calculator called CALADIS, a free web tool, designed to perform this tracking. This approach allows users to perform more statistically robust calculations in cell biology despite having uncertain values, and to identify which quantities need to be measured more precisely to make confident statements, facilitating efficient experimental design. We illustrate the use of our tool for tracking uncertainty in several example biological calculations, showing that the results yield powerful and interpretable statistics on the quantities of interest. We also demonstrate that the outcomes of calculations may differ from point estimates when uncertainty is accurately tracked. An integral link between CALADIS and the BioNumbers repository of biological quantities further facilitates the straightforward location, selection, and use of a wealth of experimental data in cell biological calculations. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Assessing Probabilistic Reasoning in Verbal-Numerical and Graphical-Pictorial Formats: An Evaluation of the Psychometric Properties of an Instrument

ERIC Educational Resources Information Center

Agus, Mirian; Penna, Maria Pietronilla; Peró-Cebollero, Maribel; Guàrdia-Olmos, Joan

2016-01-01

Research on the graphical facilitation of probabilistic reasoning has been characterised by the effort expended to identify valid assessment tools. The authors developed an assessment instrument to compare reasoning performances when problems were presented in verbal-numerical and graphical-pictorial formats. A sample of undergraduate psychology…

Numerical simulation of tornado wind loading on structures

NASA Technical Reports Server (NTRS)

Maiden, D. E.

1976-01-01

A numerical simulation of a tornado interacting with a building was undertaken in order to compare the pressures due to a rotational unsteady wind with that due to steady straight winds used in design of nuclear facilities. The numerical simulations were performed on a two-dimensional compressible hydrodynamics code. Calculated pressure profiles for a typical building were then subjected to a tornado wind field and the results were compared with current quasisteady design calculations. The analysis indicates that current design practices are conservative.

Efficient hybrid-symbolic methods for quantum mechanical calculations

NASA Astrophysics Data System (ADS)

Scott, T. C.; Zhang, Wenxing

2015-06-01

We present hybrid symbolic-numerical tools to generate optimized numerical code for rapid prototyping and fast numerical computation starting from a computer algebra system (CAS) and tailored to any given quantum mechanical problem. Although a major focus concerns the quantum chemistry methods of H. Nakatsuji which has yielded successful and very accurate eigensolutions for small atoms and molecules, the tools are general and may be applied to any basis set calculation with a variational principle applied to its linear and non-linear parameters.

A numerical solution for thermoacoustic convection of fluids in low gravity

NASA Technical Reports Server (NTRS)

Spradley, L. W.; Bourgeois, S. V., Jr.; Fan, C.; Grodzka, P. G.

1973-01-01

A finite difference numerical technique for solving the differential equations which describe thermal convection of compressible fluids in low gravity are reported. Results of one-dimensional calculations are presented, and comparisons are made to previous solutions. The primary result presented is a one-dimensional radial model of the Apollo 14 heat flow and convection demonstration flight experiment. The numerical calculations show that thermally induced convective motion in a confined fluid can have significant effects on heat transfer in a low gravity environment.

Computing architecture for autonomous microgrids

DOEpatents

Goldsmith, Steven Y.

2015-09-29

A computing architecture that facilitates autonomously controlling operations of a microgrid is described herein. A microgrid network includes numerous computing devices that execute intelligent agents, each of which is assigned to a particular entity (load, source, storage device, or switch) in the microgrid. The intelligent agents can execute in accordance with predefined protocols to collectively perform computations that facilitate uninterrupted control of the .

Can I Count on Getting Better? Association between Math Anxiety and Poorer Understanding of Medical Risk Reductions.

PubMed

Rolison, Jonathan J; Morsanyi, Kinga; O'Connor, Patrick A

2016-10-01

Lower numerical ability is associated with poorer understanding of health statistics, such as risk reductions of medical treatment. For many people, despite good numeracy skills, math provokes anxiety that impedes an ability to evaluate numerical information. Math-anxious individuals also report less confidence in their ability to perform math tasks. We hypothesized that, independent of objective numeracy, math anxiety would be associated with poorer responding and lower confidence when calculating risk reductions of medical treatments. Objective numeracy was assessed using an 11-item objective numeracy scale. A 13-item self-report scale was used to assess math anxiety. In experiment 1, participants were asked to interpret the baseline risk of disease and risk reductions associated with treatment options. Participants in experiment 2 were additionally provided a graphical display designed to facilitate the processing of math information and alleviate effects of math anxiety. Confidence ratings were provided on a 7-point scale. Individuals of higher objective numeracy were more likely to respond correctly to baseline risks and risk reductions associated with treatment options and were more confident in their interpretations. Individuals who scored high in math anxiety were instead less likely to correctly interpret the baseline risks and risk reductions and were less confident in their risk calculations as well as in their assessments of the effectiveness of treatment options. Math anxiety predicted confidence levels but not correct responding when controlling for objective numeracy. The graphical display was most effective in increasing confidence among math-anxious individuals. The findings suggest that math anxiety is associated with poorer medical risk interpretation but is more strongly related to confidence in interpretations. © The Author(s) 2015.

Privacy-preserving matching of similar patients.

PubMed

Vatsalan, Dinusha; Christen, Peter

2016-02-01

The identification of similar entities represented by records in different databases has drawn considerable attention in many application areas, including in the health domain. One important type of entity matching application that is vital for quality healthcare analytics is the identification of similar patients, known as similar patient matching. A key component of identifying similar records is the calculation of similarity of the values in attributes (fields) between these records. Due to increasing privacy and confidentiality concerns, using the actual attribute values of patient records to identify similar records across different organizations is becoming non-trivial because the attributes in such records often contain highly sensitive information such as personal and medical details of patients. Therefore, the matching needs to be based on masked (encoded) values while being effective and efficient to allow matching of large databases. Bloom filter encoding has widely been used as an efficient masking technique for privacy-preserving matching of string and categorical values. However, no work on Bloom filter-based masking of numerical data, such as integer (e.g. age), floating point (e.g. body mass index), and modulus (numbers wrap around upon reaching a certain value, e.g. date and time), which are commonly required in the health domain, has been presented in the literature. We propose a framework with novel methods for masking numerical data using Bloom filters, thereby facilitating the calculation of similarities between records. We conduct an empirical study on publicly available real-world datasets which shows that our framework provides efficient masking and achieves similar matching accuracy compared to the matching of actual unencoded patient records. Copyright © 2015 Elsevier Inc. All rights reserved.

Scalable synthesis of NiMoO4 microspheres with numerous empty nanovoids as an advanced anode material for Li-ion batteries

NASA Astrophysics Data System (ADS)

Park, Jin-Sung; Cho, Jung Sang; Kang, Yun Chan

2018-03-01

Closely in line with advances in next-generation energy storage materials, anode materials for lithium-ion batteries (LIBs) with high capacity and long cycle life have been widely explored. As part of the current effort, nickel molybdate (NiMoO4) microspheres with empty nanovoids are synthesized via spray drying process and subsequent one-step calcination in air. Dextrin in the atomized droplet is phase segregated during the spray drying process and calcined in air atmosphere, resulting in numerous empty nanovoids well-distributed within a microsphere. The empty nanovoids alleviate volume expansion during cycling, shorten lithium-ion diffusion length, and facilitate contact between electrode and electrolyte materials. Along with the high discharge capacity of NiMoO4 material, as high as 1240 mA h g-1 for the 2nd cycle at a high current density of 1 A g-1, uniquity of the structure enables longer cycle life and higher quality performances. The discharge capacity corresponding to the 500th cycle is 1020 mA h g-1 and the capacity retention calculated from the 2nd cycle is 82%. In addition, a discharge capacity of 413 mA g-1 is obtained at an extremely high current density of 10 A g-1.

Full Coupling Between the Atmosphere, Surface, and Subsurface for Integrated Hydrologic Simulation

NASA Astrophysics Data System (ADS)

Davison, Jason Hamilton; Hwang, Hyoun-Tae; Sudicky, Edward A.; Mallia, Derek V.; Lin, John C.

2018-01-01

An ever increasing community of earth system modelers is incorporating new physical processes into numerical models. This trend is facilitated by advancements in computational resources, improvements in simulation skill, and the desire to build numerical simulators that represent the water cycle with greater fidelity. In this quest to develop a state-of-the-art water cycle model, we coupled HydroGeoSphere (HGS), a 3-D control-volume finite element surface and variably saturated subsurface flow model that includes evapotranspiration processes, to the Weather Research and Forecasting (WRF) Model, a 3-D finite difference nonhydrostatic mesoscale atmospheric model. The two-way coupled model, referred to as HGS-WRF, exchanges the actual evapotranspiration fluxes and soil saturations calculated by HGS to WRF; conversely, the potential evapotranspiration and precipitation fluxes from WRF are passed to HGS. The flexible HGS-WRF coupling method allows for unique meshes used by each model, while maintaining mass and energy conservation between the domains. Furthermore, the HGS-WRF coupling implements a subtime stepping algorithm to minimize computational expense. As a demonstration of HGS-WRF's capabilities, we applied it to the California Basin and found a strong connection between the depth to the groundwater table and the latent heat fluxes across the land surface.

Numerical calculation of protein-ligand binding rates through solution of the Smoluchowski equation using smooth particle hydrodynamics

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

Pan, Wenxiao; Daily, Michael D.; Baker, Nathan A.

2015-12-01

We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. The numerical method is first verified in simple systems and then applied to the calculation of ligand binding to an acetylcholinesterase monomer. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) boundary condition, is considered on the reactive boundaries. This new boundary condition treatment allows for the analysis of enzymes with "imperfect" reaction rates. Rates for inhibitor binding to mAChE are calculated atmore » various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.« less

Age difference in numeral recognition and calculation: an event-related potential study.

PubMed

Xuan, Dong; Wang, Suhong; Yang, Yilin; Meng, Ping; Xu, Feng; Yang, Wen; Sheng, Wei; Yang, Yuxia

2007-01-01

In this study, we investigated the age difference in numeral recognition and calculation in one group of school-aged children (n = 38) and one of undergraduate students (n = 26) using the event-related potential (ERP) methods. Consistent with previous reports, the age difference was significant in behavioral results. Both numeral recognition and calculation elicited a negativity peaking at about 170-280 ms (N2) and a positivity peaking at 200-470 ms (pSW) in raw ERPs, and a difference potential (dN3) between 360 and 450 ms. The difference between the two age groups indicated that more attention resources were devoted to arithmetical tasks in school-aged children, and that school-aged children and undergraduate students appear to use different strategies to solve arithmetical problems. The analysis of frontal negativity suggested that numeral recognition and mental calculation impose greater load on working memory and executive function in schoolchildren than in undergraduate students. The topography data determined that the parietal regions were responsible for arithmetical function in humans, and there was an age-related difference in the area of cerebral activation.

Plasma characteristics in the discharge region of a 20 A emission current hollow cathode

NASA Astrophysics Data System (ADS)

Mingming, SUN; Tianping, ZHANG; Xiaodong, WEN; Weilong, GUO; Jiayao, SONG

2018-02-01

Numerical calculation and fluid simulation methods were used to obtain the plasma characteristics in the discharge region of the LIPS-300 ion thruster’s 20 A emission current hollow cathode and to verify the structural design of the emitter. The results of the two methods indicated that the highest plasma density and electron temperature, which improved significantly in the orifice region, were located in the discharge region of the hollow cathode. The magnitude of plasma density was about 1021 m-3 in the emitter and orifice regions, as obtained by numerical calculations, but decreased exponentially in the plume region with the distance from the orifice exit. Meanwhile, compared to the emitter region, the electron temperature and current improved by about 36% in the orifice region. The hollow cathode performance test results were in good agreement with the numerical calculation results, which proved that that the structural design of the emitter and the orifice met the requirements of a 20 A emission current. The numerical calculation method can be used to estimate plasma characteristics in the preliminary design stage of hollow cathodes.

Numerical modeling and optimization of the Iguassu gas centrifuge

NASA Astrophysics Data System (ADS)

Bogovalov, S. V.; Borman, V. D.; Borisevich, V. D.; Tronin, V. N.; Tronin, I. V.

2017-07-01

The full procedure of the numerical calculation of the optimized parameters of the Iguassu gas centrifuge (GC) is under discussion. The procedure consists of a few steps. On the first step the problem of a hydrodynamical flow of the gas in the rotating rotor of the GC is solved numerically. On the second step the problem of diffusion of the binary mixture of isotopes is solved. The separation power of the gas centrifuge is calculated after that. On the last step the time consuming procedure of optimization of the GC is performed providing us the maximum of the separation power. The optimization is based on the BOBYQA method exploring the results of numerical simulations of the hydrodynamics and diffusion of the mixture of isotopes. Fast convergence of calculations is achieved due to exploring of a direct solver at the solution of the hydrodynamical and diffusion parts of the problem. Optimized separative power and optimal internal parameters of the Iguassu GC with 1 m rotor were calculated using the developed approach. Optimization procedure converges in 45 iterations taking 811 minutes.

Prediction of the explosion effect of aluminized explosives

NASA Astrophysics Data System (ADS)

Zhang, Qi; Xiang, Cong; Liang, HuiMin

2013-05-01

We present an approach to predict the explosion load for aluminized explosives using a numerical calculation. A code to calculate the species of detonation products of high energy ingredients and those of the secondary reaction of aluminum and the detonation products, velocity of detonation, pressure, temperature and JWL parameters of aluminized explosives has been developed in this study. Through numerical calculations carried out with this code, the predicted JWL parameters for aluminized explosives have been compared with those measured by the cylinder test. The predicted JWL parameters with this code agree with those measured by the cylinder test. Furthermore, the load of explosion for the aluminized explosive was calculated using the numerical simulation by using the JWL equation of state. The loads of explosion for the aluminized explosive obtained using the predicted JWL parameters have been compared with those using the measured JWL parameters. Both of them are almost the same. The numerical results using the predicted JWL parameters show that the explosion air shock wave is the strongest when the mass fraction of aluminum powder in the explosive mixtures is 30%. This result agrees with the empirical data.

A Numerical Method of Calculating Propeller Noise Including Acoustic Nonlinear Effects

NASA Technical Reports Server (NTRS)

Korkan, K. D.

1985-01-01

Using the transonic flow fields(s) generated by the NASPROP-E computer code for an eight blade SR3-series propeller, a theoretical method is investigated to calculate the total noise values and frequency content in the acoustic near and far field without using the Ffowcs Williams - Hawkings equation. The flow field is numerically generated using an implicit three dimensional Euler equation solver in weak conservation law form. Numerical damping is required by the differencing method for stability in three dimensions, and the influence of the damping on the calculated acoustic values is investigated. The acoustic near field is solved by integrating with respect to time the pressure oscillations induced at a stationary observer location. The acoustic far field is calculated from the near field primitive variables as generated by NASPROP-E computer code using a method involving a perturbation velocity potential as suggested by Hawkings in the calculation of the acoustic pressure time-history at a specified far field observed location. the methodologies described are valid for calculating total noise levels and are applicable to any propeller geometry for which a flow field solution is available.

An Efficient numerical method to calculate the conductivity tensor for disordered topological matter

NASA Astrophysics Data System (ADS)

Garcia, Jose H.; Covaci, Lucian; Rappoport, Tatiana G.

2015-03-01

We propose a new efficient numerical approach to calculate the conductivity tensor in solids. We use a real-space implementation of the Kubo formalism where both diagonal and off-diagonal conductivities are treated in the same footing. We adopt a formulation of the Kubo theory that is known as Bastin formula and expand the Green's functions involved in terms of Chebyshev polynomials using the kernel polynomial method. Within this method, all the computational effort is on the calculation of the expansion coefficients. It also has the advantage of obtaining both conductivities in a single calculation step and for various values of temperature and chemical potential, capturing the topology of the band-structure. Our numerical technique is very general and is suitable for the calculation of transport properties of disordered systems. We analyze how the method's accuracy varies with the number of moments used in the expansion and illustrate our approach by calculating the transverse conductivity of different topological systems. T.G.R, J.H.G and L.C. acknowledge Brazilian agencies CNPq, FAPERJ and INCT de Nanoestruturas de Carbono, Flemish Science Foundation for financial support.

Development of Pelton turbine using numerical simulation

NASA Astrophysics Data System (ADS)

Patel, K.; Patel, B.; Yadav, M.; Foggia, T.

2010-08-01

This paper describes recent research and development activities in the field of Pelton turbine design. Flow inside Pelton turbine is most complex due to multiphase (mixture of air and water) and free surface in nature. Numerical calculation is useful to understand flow physics as well as effect of geometry on flow. The optimized design is obtained using in-house special optimization loop. Either single phase or two phase unsteady numerical calculation could be performed. Numerical results are used to visualize the flow pattern in the water passage and to predict performance of Pelton turbine at full load as well as at part load. Model tests are conducted to determine performance of turbine and it shows good agreement with numerically predicted performance.

Evaluation of radiation loading on finite cylindrical shells using the fast Fourier transform: A comparison with direct numerical integration.

PubMed

Liu, S X; Zou, M S

2018-03-01

The radiation loading on a vibratory finite cylindrical shell is conventionally evaluated through the direct numerical integration (DNI) method. An alternative strategy via the fast Fourier transform algorithm is put forward in this work based on the general expression of radiation impedance. To check the feasibility and efficiency of the proposed method, a comparison with DNI is presented through numerical cases. The results obtained using the present method agree well with those calculated by DNI. More importantly, the proposed calculating strategy can significantly save the time cost compared with the conventional approach of straightforward numerical integration.

A fast numerical scheme for causal relativistic hydrodynamics with dissipation

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

Takamoto, Makoto, E-mail: takamoto@tap.scphys.kyoto-u.ac.jp; Inutsuka, Shu-ichiro

2011-08-01

Highlights: {yields} We have developed a new multi-dimensional numerical scheme for causal relativistic hydrodynamics with dissipation. {yields} Our new scheme can calculate the evolution of dissipative relativistic hydrodynamics faster and more effectively than existing schemes. {yields} Since we use the Riemann solver for solving the advection steps, our method can capture shocks very accurately. - Abstract: In this paper, we develop a stable and fast numerical scheme for relativistic dissipative hydrodynamics based on Israel-Stewart theory. Israel-Stewart theory is a stable and causal description of dissipation in relativistic hydrodynamics although it includes relaxation process with the timescale for collision of constituentmore » particles, which introduces stiff equations and makes practical numerical calculation difficult. In our new scheme, we use Strang's splitting method, and use the piecewise exact solutions for solving the extremely short timescale problem. In addition, since we split the calculations into inviscid step and dissipative step, Riemann solver can be used for obtaining numerical flux for the inviscid step. The use of Riemann solver enables us to capture shocks very accurately. Simple numerical examples are shown. The present scheme can be applied to various high energy phenomena of astrophysics and nuclear physics.« less

An observational study of agreement between percentage pain reduction calculated from visual analog or numerical rating scales versus that reported by parturients during labor epidural analgesia.

PubMed

Pratici, E; Nebout, S; Merbai, N; Filippova, J; Hajage, D; Keita, H

2017-05-01

This study aimed to determine the level of agreement between calculated percentage pain reduction, derived from visual analog or numerical rating scales, and patient-reported percentage pain reduction in patients having labor epidural analgesia. In a prospective observational study, parturients were asked to rate their pain intensity on a visual analog scale and numerical rating scale, before and 30min after initiation of epidural analgesia. The percentage pain reduction 30min after epidural analgesia was calculated by the formula: 100×(score before epidural analgesia-score 30min after epidural analgesia)/score before epidural analgesia. To evaluate agreement between calculated percentage pain reduction and patient-reported percentage pain reduction, we computed the concordance correlation coefficient and performed Bland-Altman analysis. Ninety-seven women in labor were enrolled in the study, most of whom were nulliparous, with a singleton fetus and in spontaneous labor. The concordance correlation coefficient with patient-reported percentage pain reduction was 0.76 (95% CI 0.6 to 0.8) and 0.77 (95% CI 0.6 to 0.8) for the visual analog and numerical rating scale, respectively. The Bland-Altman mean difference between calculated percentage pain reduction and patient-reported percentage pain reduction for the visual analog and numerical rating scales was -2.0% (limits of agreement at 29.8%) and 0 (limits of agreement at 28.2%), respectively. The agreement between calculated percentage pain reduction from a visual analog or numerical rating scale and patient-reported percentage pain reduction in the context of labor epidural analgesia was moderate. The difference could range up to 30%. Patient-reported percentage pain reduction has advantages as a measurement tool for assessing pain management for childbirth but differences compared with other assessment methods should be taken into account. Copyright © 2017 Elsevier Ltd. All rights reserved.

Field and numerical studies of flow structure in Lake Shira (Khakassia) in summer

NASA Astrophysics Data System (ADS)

Yakubaylik, Tatyana; Kompaniets, Lidia

2014-05-01

Investigations of Lake Shira are conducted within a multidisciplinary approach that includes the study of biodiversity, biochemistry, geology of lake sediments, as well as its hydrophysics. Our report focuses on field measurements in the lake during the 2009 - 2013 and numerical modeling of flow structure. The flow velocity, temperature and salinity distribution and fluctuations of the thermocline (density) were measured in summer. An analysis of spatial and temporal variability of the major hydrophysical characteristics leads us to conclusion that certain meteorological conditions may cause internal waves in this lake. Digital terrain model is constructed from measurements of Lake bathymetry allowing us to carry out numerical simulation. Three-dimensional primitive equation numerical model GETM is applied to simulate hydrophysical processes in Lake Shira. The model is hydrostatic and Boussinesq. An algorithm of high order approximation is opted for calculating the equations of heat and salt transfer. Temperature and salinity distributions resulting from field observations are taken as initial data for numerical simulations. Model calculations as well as calculations with appropriate real wind pattern being observed on Lake Shira have been carried out. In the model calculations we follow (1). Significant differences are observed between model calculations with constant wind and calculations with real wind pattern. Unsteady wind pattern leads to the appearance of horizontal vortexes and a significant increase of vertical fluctuations in temperature (density, impurities). It causes lifting of the sediments to the upper layers at the areas where the thermocline contacts the bottom. It is important for understanding the overall picture of the processes occurring in the lake in summer. Comparison of the results of numerical experiments with the field data shows the possibility of such a phenomena in Lake Shira. The work was supported by the Russian Foundation for Fundamental Studies under Grant 13-05-00853 and interdisciplinary integration project of SB RAS 56. REFERENCES 1. Beletsky D. Numerical Simulation of Internal Kelvin Waves and Coastal Upwelling Fronts. D. Beletsky, W. P. O'Connor J. of Physical Oceanography. - v.27. - July 1997. - P. 1197-1215.

Numerical calculation of protein-ligand binding rates through solution of the Smoluchowski equation using smoothed particle hydrodynamics

DOE PAGES

Pan, Wenxiao; Daily, Michael; Baker, Nathan A.

2015-05-07

Background: The calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors. Methods: We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) BC, is considered on the reactive boundaries. This new BC treatment allows for the analysis of enzymes with “imperfect” reaction rates. Results: The numerical method is first verified in simple systems and thenmore » applied to the calculation of ligand binding to a mouse acetylcholinesterase (mAChE) monomer. Rates for inhibitor binding to mAChE are calculated at various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Conclusions: Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.« less

Numerical investigation of flow structure and pressure pulsation in the Francis-99 turbine during startup

NASA Astrophysics Data System (ADS)

Minakov, A.; Sentyabov, A.; Platonov, D.

2017-01-01

We performed numerical simulation of flow in a laboratory model of a Francis hydroturbine at startup regimes. Numerical technique for calculating of low frequency pressure pulsations in a water turbine is based on the use of DES (k-ω Shear Stress Transport) turbulence model and the approach of “frozen rotor”. The structure of the flow behind the runner of turbine was analysed. Shows the effect of flow structure on the frequency and intensity of non-stationary processes in the flow path. Two version of the inlet boundary conditions were considered. The first one corresponded measured time dependence of the discharge. Comparison of the calculation results with the experimental data shows the considerable delay of the discharge in this calculation. Second version corresponded linear approximation of time dependence of the discharge. This calculation shows good agreement with experimental results.

Reconstruction of nonlinear wave propagation

DOEpatents

Fleischer, Jason W; Barsi, Christopher; Wan, Wenjie

2013-04-23

Disclosed are systems and methods for characterizing a nonlinear propagation environment by numerically propagating a measured output waveform resulting from a known input waveform. The numerical propagation reconstructs the input waveform, and in the process, the nonlinear environment is characterized. In certain embodiments, knowledge of the characterized nonlinear environment facilitates determination of an unknown input based on a measured output. Similarly, knowledge of the characterized nonlinear environment also facilitates formation of a desired output based on a configurable input. In both situations, the input thus characterized and the output thus obtained include features that would normally be lost in linear propagations. Such features can include evanescent waves and peripheral waves, such that an image thus obtained are inherently wide-angle, farfield form of microscopy.

Visualized analysis of mixed numeric and categorical data via extended self-organizing map.

PubMed

Hsu, Chung-Chian; Lin, Shu-Han

2012-01-01

Many real-world datasets are of mixed types, having numeric and categorical attributes. Even though difficult, analyzing mixed-type datasets is important. In this paper, we propose an extended self-organizing map (SOM), called MixSOM, which utilizes a data structure distance hierarchy to facilitate the handling of numeric and categorical values in a direct, unified manner. Moreover, the extended model regularizes the prototype distance between neighboring neurons in proportion to their map distance so that structures of the clusters can be portrayed better on the map. Extensive experiments on several synthetic and real-world datasets are conducted to demonstrate the capability of the model and to compare MixSOM with several existing models including Kohonen's SOM, the generalized SOM and visualization-induced SOM. The results show that MixSOM is superior to the other models in reflecting the structure of the mixed-type data and facilitates further analysis of the data such as exploration at various levels of granularity.

A numerical procedure for solving the inverse scattering problem for stratified dielectric media

NASA Astrophysics Data System (ADS)

Vogelzang, E.; Yevick, D.; Ferwerda, H. A.

1983-05-01

In this paper the refractive index profile of a dielectric stratified medium, terminated by a perfect conductor, is calculated from the complex reflection coefficient for monochromatic plane waves, incident from different directions. The advantage of this approach is that the dispersion of the refractive index does not enter the calculations. The calculation is based on the Marchenko and Gelfand-Levitan equations taking into account the bound modes of the layer. Some illustrative numerical examples are presented.

Numerical sensitivity analysis of welding-induced residual stress depending on variations in continuous cooling transformation behavior

NASA Astrophysics Data System (ADS)

Heinze, C.; Schwenk, C.; Rethmeier, M.; Caron, J.

2011-06-01

The usage of continuous cooling transformation (CCT) diagrams in numerical welding simulations is state of the art. Nevertheless, specifications provide limits in chemical composition of materials which result in different CCT behavior and CCT diagrams, respectively. Therefore, it is necessary to analyze the influence of variations in CCT diagrams on the developing residual stresses. In the present paper, four CCT diagrams and their effect on numerical calculation of residual stresses are investigated for the widely used structural steel S355J2 + N welded by the gas metal arc welding (GMAW) process. Rather than performing an arbitrary adjustment of CCT behavior, four justifiable data sets were used as input to the numerical calculation: data available in the Sysweld database, experimental data acquired through Gleeble dilatometry tests, and TTT/CCT predictions calculated from the JMatPro and Edison Welding Institute (EWI) Virtual Joining Portal software. The performed numerical analyses resulted in noticeable deviations in residual stresses considering the different CCT diagrams. Furthermore, possibilities to improve the prediction of distortions and residual stress based on CCT behavior are discussed.

Numerical and Calculation Abilities in Children with ADHD

ERIC Educational Resources Information Center

Colomer, Carla; Re, Anna M.; Miranda, Ana; Lucangeli, Daniela

2013-01-01

The aim of this study was to investigate the specific numerical and calculation abilities of 28 children with ADHD without comorbid mathematical learning disabilities (LD), ranging from the 1st to the 5th grade of primary school, and to examine the stability or the development of the arithmetic profile. Our results showed that a high percentage of…

[Numbers, counting and calculating problems in view of cognitive neurology].

PubMed

Márkus, Attila

2010-03-30

The ability to count and calculate is a human-specific skill comprised of understanding numeric values and categories and performing numerical operations; it is an acoustic-verbal symbolic activity that may be expressed in writing and understood by reading. The neuronal bases and precursors of cognitive systems have been supplied to mankind by the process of evolution. Abilities to create symbols (speech, visual letter and number symbols) must have played a decisive role in the emergence of man from the world of primates. Although counting and calculating problems are classified into numerous types, two main forms of dyscalculia have practical importance: the acquired one (the loss of learned knowledge) and the developmental one (the disturbance of the acquisition of arithmetical knowledge).

The numerical calculation of laminar boundary-layer separation

NASA Technical Reports Server (NTRS)

Klineberg, J. M.; Steger, J. L.

1974-01-01

Iterative finite-difference techniques are developed for integrating the boundary-layer equations, without approximation, through a region of reversed flow. The numerical procedures are used to calculate incompressible laminar separated flows and to investigate the conditions for regular behavior at the point of separation. Regular flows are shown to be characterized by an integrable saddle-type singularity that makes it difficult to obtain numerical solutions which pass continuously into the separated region. The singularity is removed and continuous solutions ensured by specifying the wall shear distribution and computing the pressure gradient as part of the solution. Calculated results are presented for several separated flows and the accuracy of the method is verified. A computer program listing and complete solution case are included.

Numerical studies of the thermal design sensitivity calculation for a reaction-diffusion system with discontinuous derivatives

NASA Technical Reports Server (NTRS)

Hou, Jean W.; Sheen, Jeen S.

1987-01-01

The aim of this study is to find a reliable numerical algorithm to calculate thermal design sensitivities of a transient problem with discontinuous derivatives. The thermal system of interest is a transient heat conduction problem related to the curing process of a composite laminate. A logical function which can smoothly approximate the discontinuity is introduced to modify the system equation. Two commonly used methods, the adjoint variable method and the direct differentiation method, are then applied to find the design derivatives of the modified system. The comparisons of numerical results obtained by these two methods demonstrate that the direct differentiation method is a better choice to be used in calculating thermal design sensitivity.

Dynamic Beam Solutions for Real-Time Simulation and Control Development of Flexible Rockets

NASA Technical Reports Server (NTRS)

Su, Weihua; King, Cecilia K.; Clark, Scott R.; Griffin, Edwin D.; Suhey, Jeffrey D.; Wolf, Michael G.

2016-01-01

In this study, flexible rockets are structurally represented by linear beams. Both direct and indirect solutions of beam dynamic equations are sought to facilitate real-time simulation and control development for flexible rockets. The direct solution is completed by numerically integrate the beam structural dynamic equation using an explicit Newmark-based scheme, which allows for stable and fast transient solutions to the dynamics of flexile rockets. Furthermore, in the real-time operation, the bending strain of the beam is measured by fiber optical sensors (FOS) at intermittent locations along the span, while both angular velocity and translational acceleration are measured at a single point by the inertial measurement unit (IMU). Another study in this paper is to find the analytical and numerical solutions of the beam dynamics based on the limited measurement data to facilitate the real-time control development. Numerical studies demonstrate the accuracy of these real-time solutions to the beam dynamics. Such analytical and numerical solutions, when integrated with data processing and control algorithms and mechanisms, have the potential to increase launch availability by processing flight data into the flexible launch vehicle's control system.

Calculating corner singularities by boundary integral equations.

PubMed

Shi, Hualiang; Lu, Ya Yan; Du, Qiang

2017-06-01

Accurate numerical solutions for electromagnetic fields near sharp corners and edges are important for nanophotonics applications that rely on strong near fields to enhance light-matter interactions. For cylindrical structures, the singularity exponents of electromagnetic fields near sharp edges can be solved analytically, but in general the actual fields can only be calculated numerically. In this paper, we use a boundary integral equation method to compute electromagnetic fields near sharp edges, and construct the leading terms in asymptotic expansions based on numerical solutions. Our integral equations are formulated for rescaled unknown functions to avoid unbounded field components, and are discretized with a graded mesh and properly chosen quadrature schemes. The numerically found singularity exponents agree well with the exact values in all the test cases presented here, indicating that the numerical solutions are accurate.

Numerical study of wave propagation around an underground cavity: acoustic case

NASA Astrophysics Data System (ADS)

Esterhazy, Sofi; Perugia, Ilaria; Schöberl, Joachim; Bokelmann, Götz

2015-04-01

Motivated by the need to detect an underground cavity within the procedure of an On-Site-Inspection (OSI) of the Comprehensive Nuclear Test Ban Treaty Organization (CTBTO), which might be caused by a nuclear explosion/weapon testing, we aim to provide a basic numerical study of the wave propagation around and inside such an underground cavity. The aim of the CTBTO is to ban all nuclear explosions of any size anywhere, by anyone. Therefore, it is essential to build a powerful strategy to efficiently investigate and detect critical signatures such as gas filled cavities, rubble zones and fracture networks below the surface. One method to investigate the geophysical properties of an underground cavity allowed by the Comprehensive Nuclear-test Ban Treaty is referred to as 'resonance seismometry' - a resonance method that uses passive or active seismic techniques, relying on seismic cavity vibrations. This method is in fact not yet entirely determined by the Treaty and there are also only few experimental examples that have been suitably documented to build a proper scientific groundwork. This motivates to investigate this problem on a purely numerical level and to simulate these events based on recent advances in the mathematical understanding of the underlying physical phenomena. Here, we focus our numerical study on the propagation of P-waves in two dimensions. An extension to three dimensions as well as an inclusion of the full elastic wave field is planned in the following. For the numerical simulations of wave propagation we use a high order finite element discretization which has the significant advantage that it can be extended easily from simple toy designs to complex and irregularly shaped geometries without excessive effort. Our computations are done with the parallel Finite Element Library NGSOLVE ontop of the automatic 2D/3D tetrahedral mesh generator NETGEN (http://sourceforge.net/projects/ngsolve/). Using the basic mathematical understanding of the physical equations and the numerical algorithms it is possible for us to investigate the wave field over a large bandwidth of wave numbers. This means we can apply our calculations for a wide range of parameters, while keeping the numerical error explicitly under control. The accurate numerical modeling can facilitate the development of proper analysis techniques to detect the remnants of an underground nuclear test, help to set a rigorous scientific base of OSI and contribute to bringing the Treaty into force.

Piecewise Polynomial Aggregation as Preprocessing for Data Numerical Modeling

NASA Astrophysics Data System (ADS)

Dobronets, B. S.; Popova, O. A.

2018-05-01

Data aggregation issues for numerical modeling are reviewed in the present study. The authors discuss data aggregation procedures as preprocessing for subsequent numerical modeling. To calculate the data aggregation, the authors propose using numerical probabilistic analysis (NPA). An important feature of this study is how the authors represent the aggregated data. The study shows that the offered approach to data aggregation can be interpreted as the frequency distribution of a variable. To study its properties, the density function is used. For this purpose, the authors propose using the piecewise polynomial models. A suitable example of such approach is the spline. The authors show that their approach to data aggregation allows reducing the level of data uncertainty and significantly increasing the efficiency of numerical calculations. To demonstrate the degree of the correspondence of the proposed methods to reality, the authors developed a theoretical framework and considered numerical examples devoted to time series aggregation.

Numerical Capacities as Domain-Specific Predictors beyond Early Mathematics Learning: A Longitudinal Study

PubMed Central

Reigosa-Crespo, Vivian; González-Alemañy, Eduardo; León, Teresa; Torres, Rosario; Mosquera, Raysil; Valdés-Sosa, Mitchell

2013-01-01

The first aim of the present study was to investigate whether numerical effects (Numerical Distance Effect, Counting Effect and Subitizing Effect) are domain-specific predictors of mathematics development at the end of elementary school by exploring whether they explain additional variance of later mathematics fluency after controlling for the effects of general cognitive skills, focused on nonnumerical aspects. The second aim was to address the same issues but applied to achievement in mathematics curriculum that requires solutions to fluency in calculation. These analyses assess whether the relationship found for fluency are generalized to mathematics content beyond fluency in calculation. As a third aim, the domain specificity of the numerical effects was examined by analyzing whether they contribute to the development of reading skills, such as decoding fluency and reading comprehension, after controlling for general cognitive skills and phonological processing. Basic numerical capacities were evaluated in children of 3rd and 4th grades (n=49). Mathematics and reading achievements were assessed in these children one year later. Results showed that the size of the Subitizing Effect was a significant domain-specific predictor of fluency in calculation and also in curricular mathematics achievement, but not in reading skills, assessed at the end of elementary school. Furthermore, the size of the Counting Effect also predicted fluency in calculation, although this association only approached significance. These findings contrast with proposals that the core numerical competencies measured by enumeration will bear little relationship to mathematics achievement. We conclude that basic numerical capacities constitute domain-specific predictors and that they are not exclusively “start-up” tools for the acquisition of Mathematics; but they continue modulating this learning at the end of elementary school. PMID:24255710

Numerical capacities as domain-specific predictors beyond early mathematics learning: a longitudinal study.

PubMed

Reigosa-Crespo, Vivian; González-Alemañy, Eduardo; León, Teresa; Torres, Rosario; Mosquera, Raysil; Valdés-Sosa, Mitchell

2013-01-01

The first aim of the present study was to investigate whether numerical effects (Numerical Distance Effect, Counting Effect and Subitizing Effect) are domain-specific predictors of mathematics development at the end of elementary school by exploring whether they explain additional variance of later mathematics fluency after controlling for the effects of general cognitive skills, focused on nonnumerical aspects. The second aim was to address the same issues but applied to achievement in mathematics curriculum that requires solutions to fluency in calculation. These analyses assess whether the relationship found for fluency are generalized to mathematics content beyond fluency in calculation. As a third aim, the domain specificity of the numerical effects was examined by analyzing whether they contribute to the development of reading skills, such as decoding fluency and reading comprehension, after controlling for general cognitive skills and phonological processing. Basic numerical capacities were evaluated in children of 3(rd) and 4(th) grades (n=49). Mathematics and reading achievements were assessed in these children one year later. Results showed that the size of the Subitizing Effect was a significant domain-specific predictor of fluency in calculation and also in curricular mathematics achievement, but not in reading skills, assessed at the end of elementary school. Furthermore, the size of the Counting Effect also predicted fluency in calculation, although this association only approached significance. These findings contrast with proposals that the core numerical competencies measured by enumeration will bear little relationship to mathematics achievement. We conclude that basic numerical capacities constitute domain-specific predictors and that they are not exclusively "start-up" tools for the acquisition of Mathematics; but they continue modulating this learning at the end of elementary school.

Analysis of counter flow of corona wind for heat transfer enhancement

NASA Astrophysics Data System (ADS)

Shin, Dong Ho; Baek, Soo Hong; Ko, Han Seo

2018-03-01

A heat sink for cooling devices using the counter flow of a corona wind was developed in this study. Detailed information about the numerical investigations of forced convection using the corona wind was presented. The fins of the heat sink using the counter flow of a corona wind were also investigated. The corona wind generator with a wire-to-plate electrode arrangement was used for generating the counter flow to the fin. The compact and simple geometric characteristics of the corona wind generator facilitate the application of the heat sink using the counter flow, demonstrating the heat sink is effective for cooling electronic devices. Parametric studies were performed to analyze the effect of the counter flow on the fins. Also, the velocity and temperature were measured experimentally for the test mock-up of the heat sink with the corona wind generator to verify the numerical results. From a numerical study, the type of fin and its optimal height, length, and pitch were suggested for various heat fluxes. In addition, the correlations to calculate the mass of the developed heat sink and its cooling performance in terms of the heat transfer coefficient were derived. Finally, the cooling efficiencies corresponding to the mass, applied power, total size, and noise of the devices were compared with the existing commercial central processing unit (CPU) cooling devices with rotor fans. As a result, it was confirmed that the heat sink using the counter flow of the corona wind showed appropriate efficiencies for cooling electronic devices, and is a suitable replacement for the existing cooling device for high power electronics.

Numerical calculation of the parameters of the efflux from a helium dewar used for cooling of heat shields in a satellite

NASA Technical Reports Server (NTRS)

Brendley, K.; Chato, J. C.

1982-01-01

The parameters of the efflux from a helium dewar in space were numerically calculated. The flow was modeled as a one dimensional compressible ideal gas with variable properties. The primary boundary conditions are flow with friction and flow with heat transfer and friction. Two PASCAL programs were developed to calculate the efflux parameters: EFFLUZD and EFFLUXM. EFFLUXD calculates the minimum mass flow for the given shield temperatures and shield heat inputs. It then calculates the pipe lengths, diameter, and fluid parameters which satisfy all boundary conditions. Since the diameter returned by EFFLUXD is only rarely of nominal size, EFFLUXM calculates the mass flow and shield heat exchange for given pipe lengths, diameter, and shield temperatures.

Bessel function expansion to reduce the calculation time and memory usage for cylindrical computer-generated holograms.

PubMed

Sando, Yusuke; Barada, Daisuke; Jackin, Boaz Jessie; Yatagai, Toyohiko

2017-07-10

This study proposes a method to reduce the calculation time and memory usage required for calculating cylindrical computer-generated holograms. The wavefront on the cylindrical observation surface is represented as a convolution integral in the 3D Fourier domain. The Fourier transformation of the kernel function involving this convolution integral is analytically performed using a Bessel function expansion. The analytical solution can drastically reduce the calculation time and the memory usage without any cost, compared with the numerical method using fast Fourier transform to Fourier transform the kernel function. In this study, we present the analytical derivation, the efficient calculation of Bessel function series, and a numerical simulation. Furthermore, we demonstrate the effectiveness of the analytical solution through comparisons of calculation time and memory usage.

Deconvolution of acoustic emissions for source localization using time reverse modeling

NASA Astrophysics Data System (ADS)

Kocur, Georg Karl

2017-01-01

Impact experiments on small-scale slabs made of concrete and aluminum were carried out. Wave motion radiated from the epicenter of the impact was recorded as voltage signals by resonant piezoelectric transducers. Numerical simulations of the elastic wave propagation are performed to simulate the physical experiments. The Hertz theory of contact is applied to estimate the force impulse, which is subsequently used for the numerical simulation. Displacements at the transducer positions are calculated numerically. A deconvolution function is obtained by comparing the physical (voltage signal) and the numerical (calculated displacement) experiments. Acoustic emission signals due to pencil-lead breaks are recorded, deconvolved and applied for localization using time reverse modeling.

Extension and applications of switching model: Range theory, multiple scattering model of Goudsmit-Saunderson, and lateral spread treatment of Marwick-Sigmund

NASA Astrophysics Data System (ADS)

Ikegami, Seiji

2017-09-01

The switching model (PSM) developed in the previous paper is extended to obtain an ;extended switching model (ESM). In the ESM, the mixt electronic-and-nuclear energy-loss region, in addition to the electronic and nuclear energy-loss regions in PSM, is taken into account analytically and appropriately. This model is combined with a small-angle multiple scattering range theory considering both nuclear and electronic stopping effects developed by Marwick-Sigmund and Valdes-Arista to formulate a improved range theory. The ESM is also combined with the multiple scattering theory with non-small angle approximation by Goudsmit-Saunderson. Furthermore, we applied ESM to lateral spread model of Marwick-Sigmund. Numerical calculations of the entire distribution functions including one of the mixt region are roughly and approximately possible. However, exact numerical calculation may be impossible. Consequently, several preliminary numerical calculations of the electronic, mixt, and nuclear regions are performed to examine their underlying behavior with respect to the incident energy, the scattering angle, the outgoing projectile intensity, and the target thickness. We show the numerical results not only of PSM and but also of ESM. Both numerical results are shown in the present paper for the first time. Since the theoretical relations are constructed using reduced variables, the calculations are made only on the case of C colliding on C.

Subtractive procedure for calculating the anomalous electron magnetic moment in QED and its application for numerical calculation at the three-loop level

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

Volkov, S. A., E-mail: volkoff-sergey@mail.ru

2016-06-15

A new subtractive procedure for canceling ultraviolet and infrared divergences in the Feynman integrals described here is developed for calculating QED corrections to the electron anomalous magnetic moment. The procedure formulated in the form of a forest expression with linear operators applied to Feynman amplitudes of UV-diverging subgraphs makes it possible to represent the contribution of each Feynman graph containing only electron and photon propagators in the form of a converging integral with respect to Feynman parameters. The application of the developed method for numerical calculation of two- and threeloop contributions is described.

Elliptical Fourier analysis: fundamentals, applications, and value for forensic anthropology.

PubMed

Caple, Jodi; Byrd, John; Stephan, Carl N

2017-11-01

The numerical description of skeletal morphology enables forensic anthropologists to conduct objective, reproducible, and structured tests, with the added capability of verifying morphoscopic-based analyses. One technique that permits comprehensive quantification of outline shape is elliptical Fourier analysis. This curve fitting technique allows a form's outline to be approximated via the sum of multiple sine and cosine waves, permitting the profile perimeter of an object to be described in a dense (continuous) manner at a user-defined level of precision. A large amount of shape information (the entire perimeter) can thereby be collected in contrast to other methods relying on sparsely located landmarks where information falling in between the landmarks fails to be acquired. First published in 1982, elliptical Fourier analysis employment in forensic anthropology from 2000 onwards reflects a slow uptake despite large computing power that makes its calculations easy to conduct. Without hurdles arising from calculation speed or quantity, the slow uptake may partly reside with the underlying mathematics that on first glance is extensive and potentially intimidating. In this paper, we aim to bridge this gap by pictorially illustrating how elliptical Fourier harmonics work in a simple step-by-step visual fashion to facilitate universal understanding and as geared towards increased use in forensic anthropology. We additionally provide a short review of the method's utility for osteology, a summary of past uses in forensic anthropology, and software options for calculations that largely save the user the trouble of coding customized routines.

Singularity-free next-to-leading order ΔS = 1 renormalization group evolution and ɛ K ' /ɛK in the Standard Model and beyond

NASA Astrophysics Data System (ADS)

Kitahara, Teppei; Nierste, Ulrich; Tremper, Paul

2016-12-01

The standard analytic solution of the renormalization group (RG) evolution for the Δ S = 1 Wilson coefficients involves several singularities, which complicate analytic solutions. In this paper we derive a singularity-free solution of the next-to-leading order (NLO) RG equations, which greatly facilitates the calculation of ɛ K ' , the measure of direct CP violation in K → ππ decays. Using our new RG evolution and the latest lattice results for the hadronic matrix elements, we calculate the ratio ɛ K ' /ɛ K (with ɛ K quantifying indirect CP violation) in the Standard Model (SM) at NLO to ɛ K ' /ɛ K = (1.06 ± 5.07) × 10- 4, which is 2 .8 σ below the experimental value. We also present the evolution matrix in the high-energy regime for calculations of new physics contributions and derive easy-to-use approximate formulae. We find that the RG amplification of new-physics contributions to Wilson coefficients of the electroweak penguin operators is further enhanced by the NLO corrections: if the new contribution is generated at the scale of 1-10 TeV, the RG evolution between the new-physics scale and the electroweak scale enhances these coefficients by 50-100%. Our solution contains a term of order α EM 2 / α s 2 , which is numerically unimportant for the SM case but should be included in studies of high-scale new-physics.

Size effects on the martensitic phase transformation of NiTi nanograins

NASA Astrophysics Data System (ADS)

Waitz, T.; Antretter, T.; Fischer, F. D.; Simha, N. K.; Karnthaler, H. P.

2007-02-01

The analysis of nanocrystalline NiTi by transmission electron microscopy (TEM) shows that the martensitic transformation proceeds by the formation of atomic-scale twins. Grains of a size less than about 50 nm do not transform to martensite even upon large undercooling. A systematic investigation of these phenomena was carried out elucidating the influence of the grain size on the energy barrier of the transformation. Based on the experiment, nanograins were modeled as spherical inclusions containing (0 0 1) compound twinned martensite. Decomposition of the transformation strains of the inclusions into a shear eigenstrain and a normal eigenstrain facilitates the analytical calculation of shear and normal strain energies in dependence of grain size, twin layer width and elastic properties. Stresses were computed analytically for special cases, otherwise numerically. The shear stresses that alternate from twin layer to twin layer are concentrated at the grain boundaries causing a contribution to the strain energy scaling with the surface area of the inclusion, whereas the strain energy induced by the normal components of the transformation strain and the temperature dependent chemical free energy scale with the volume of the inclusion. In the nanograins these different energy contributions were calculated which allow to predict a critical grain size below which the martensitic transformation becomes unlikely. Finally, the experimental result of the atomic-scale twinning can be explained by analytical calculations that account for the transformation-opposing contributions of the shear strain and the twin boundary energy of the twin-banded morphology of martensitic nanograins.

Numerical analysis of stress effects on Frank loop evolution during irradiation in austenitic Fe&z.sbnd;Cr&z.sbnd;Ni alloy

NASA Astrophysics Data System (ADS)

Tanigawa, Hiroyasu; Katoh, Yutai; Kohyama, Akira

1995-08-01

Effects of applied stress on early stages of interstitial type Frank loop evolution were investigated by both numerical calculation and irradiation experiments. The final objective of this research is to propose a comprehensive model of complex stress effects on microstructural evolution under various conditions. In the experimental part of this work, the microstructural analysis revealed that the differences in resolved normal stress caused those in the nucleation rates of Frank loops on {111} crystallographic family planes, and that with increasing external applied stress the total nucleation rate of Frank loops was increased. A numerical calculation was carried out primarily to evaluate the validity of models of stress effects on nucleation processes of Frank loop evolution. The calculation stands on rate equuations which describe evolution of point defects, small points defect clusters and Frank loops. The rate equations of Frank loop evolution were formulated for {111} planes, considering effects of resolved normal stress to clustering processes of small point defects and growth processes of Frank loops, separately. The experimental results and the predictions from the numerical calculation qualitatively coincided well with each other.

The application of the large particles method of numerical modeling of the process of carbonic nanostructures synthesis in plasma

NASA Astrophysics Data System (ADS)

Abramov, G. V.; Gavrilov, A. N.

2018-03-01

The article deals with the numerical solution of the mathematical model of the particles motion and interaction in multicomponent plasma by the example of electric arc synthesis of carbon nanostructures. The high order of the particles and the number of their interactions requires a significant input of machine resources and time for calculations. Application of the large particles method makes it possible to reduce the amount of computation and the requirements for hardware resources without affecting the accuracy of numerical calculations. The use of technology of GPGPU parallel computing using the Nvidia CUDA technology allows organizing all General purpose computation on the basis of the graphical processor graphics card. The comparative analysis of different approaches to parallelization of computations to speed up calculations with the choice of the algorithm in which to calculate the accuracy of the solution shared memory is used. Numerical study of the influence of particles density in the macro particle on the motion parameters and the total number of particle collisions in the plasma for different modes of synthesis has been carried out. The rational range of the coherence coefficient of particle in the macro particle is computed.

On the Calculation of Uncertainty Statistics with Error Bounds for CFD Calculations Containing Random Parameters and Fields

NASA Technical Reports Server (NTRS)

Barth, Timothy J.

2016-01-01

This chapter discusses the ongoing development of combined uncertainty and error bound estimates for computational fluid dynamics (CFD) calculations subject to imposed random parameters and random fields. An objective of this work is the construction of computable error bound formulas for output uncertainty statistics that guide CFD practitioners in systematically determining how accurately CFD realizations should be approximated and how accurately uncertainty statistics should be approximated for output quantities of interest. Formal error bounds formulas for moment statistics that properly account for the presence of numerical errors in CFD calculations and numerical quadrature errors in the calculation of moment statistics have been previously presented in [8]. In this past work, hierarchical node-nested dense and sparse tensor product quadratures are used to calculate moment statistics integrals. In the present work, a framework has been developed that exploits the hierarchical structure of these quadratures in order to simplify the calculation of an estimate of the quadrature error needed in error bound formulas. When signed estimates of realization error are available, this signed error may also be used to estimate output quantity of interest probability densities as a means to assess the impact of realization error on these density estimates. Numerical results are presented for CFD problems with uncertainty to demonstrate the capabilities of this framework.

Rotorcraft acoustic radiation prediction based on a refined blade-vortex interaction model

NASA Astrophysics Data System (ADS)

Rule, John Allen

1997-08-01

The analysis of rotorcraft aerodynamics and acoustics is a challenging problem, primarily due to the fact that a rotorcraft continually flies through its own wake. The generation mechanism for a rotorcraft wake, which is dominated by strong, concentrated blade-tip trailing vortices, is similar to that in fixed wing aerodynamics. However, following blades encounter shed vortices from previous blades before they are swept downstream, resulting in sharp, impulsive loading on the blades. The blade/wake encounter, known as Blade-Vortex Interaction, or BVI, is responsible for a significant amount of vibratory loading and the characteristic rotorcraft acoustic signature in certain flight regimes. The present work addressed three different aspects of this interaction at a fundamental level. First, an analytical model for the prediction of trailing vortex structure is discussed. The model as presented is the culmination of a lengthy research effort to isolate the key physical mechanisms which govern vortex sheet rollup. Based on the Betz model, properties of the flow such as mass flux, axial momentum flux, and axial flux of angular momentum are conserved on either a differential or integral basis during the rollup process. The formation of a viscous central core was facilitated by the assumption of a turbulent mixing process with final vortex velocity profiles chosen to be consistent with a rotational flow mixing model and experimental observation. A general derivation of the method is outlined, followed by a comparison of model predictions with experimental vortex measurements, and finally a viscous blade drag model to account for additional effects of aerodynamic drag on vortex structure. The second phase of this program involved the development of a new formulation of lifting surface theory with the ultimate goal of an accurate, reduced order hybrid analytical/numerical model for fast rotorcraft load calculations. Currently, accurate rotorcraft airload analyses are limited by the massive computational power required to capture the small time scale events associated with BVI. This problem has two primary facets: accurate knowledge of the wake geometry, and accurate resolution of the impulsive loading imposed by a tip vortex on a blade. The present work addressed the second facet, providing a mathematical framework for solving the impulsive loading problem analytically, then asymptotically matching this solution to a low-resolution numerical calculation. A method was developed which uses continuous sheets of integrated boundary elements to model the lifting surface and wake. Special elements were developed to capture local behavior in high-gradient regions of the flow, thereby reducing the burden placed on the surrounding numerical method. Unsteady calculations for several classical cases were made in both frequency and time domain to demonstrate the performance of the method. Finally, a new unsteady, compressible boundary element method was applied to the problem of BVI acoustic radiation prediction. This numerical method, combined with the viscous core trailing vortex model, was used to duplicate the geometry and flight configuration of a detailed experimental BVI study carried out at NASA Ames Research Center. Blade surface pressure and near- and far-field acoustic radiation calculations were made. All calculations were shown to compare favorably with experimentally measured values. The linear boundary element method with non-linear corrections proved sufficient over most of the rotor azimuth, and particular in the region of the blade vortex interaction, suggesting that full non-linear CFD schemes are not necessary for rotorcraft noise prediction.

Cognitive reflection vs. calculation in decision making

PubMed Central

Sinayev, Aleksandr; Peters, Ellen

2015-01-01

Scores on the three-item Cognitive Reflection Test (CRT) have been linked with dual-system theory and normative decision making (Frederick, 2005). In particular, the CRT is thought to measure monitoring of System 1 intuitions such that, if cognitive reflection is high enough, intuitive errors will be detected and the problem will be solved. However, CRT items also require numeric ability to be answered correctly and it is unclear how much numeric ability vs. cognitive reflection contributes to better decision making. In two studies, CRT responses were used to calculate Cognitive Reflection and numeric ability; a numeracy scale was also administered. Numeric ability, measured on the CRT or the numeracy scale, accounted for the CRT's ability to predict more normative decisions (a subscale of decision-making competence, incentivized measures of impatient and risk-averse choice, and self-reported financial outcomes); Cognitive Reflection contributed no independent predictive power. Results were similar whether the two abilities were modeled (Study 1) or calculated using proportions (Studies 1 and 2). These findings demonstrate numeric ability as a robust predictor of superior decision making across multiple tasks and outcomes. They also indicate that correlations of decision performance with the CRT are insufficient evidence to implicate overriding intuitions in the decision-making biases and outcomes we examined. Numeric ability appears to be the key mechanism instead. PMID:25999877

Cognitive reflection vs. calculation in decision making.

PubMed

Sinayev, Aleksandr; Peters, Ellen

2015-01-01

Scores on the three-item Cognitive Reflection Test (CRT) have been linked with dual-system theory and normative decision making (Frederick, 2005). In particular, the CRT is thought to measure monitoring of System 1 intuitions such that, if cognitive reflection is high enough, intuitive errors will be detected and the problem will be solved. However, CRT items also require numeric ability to be answered correctly and it is unclear how much numeric ability vs. cognitive reflection contributes to better decision making. In two studies, CRT responses were used to calculate Cognitive Reflection and numeric ability; a numeracy scale was also administered. Numeric ability, measured on the CRT or the numeracy scale, accounted for the CRT's ability to predict more normative decisions (a subscale of decision-making competence, incentivized measures of impatient and risk-averse choice, and self-reported financial outcomes); Cognitive Reflection contributed no independent predictive power. Results were similar whether the two abilities were modeled (Study 1) or calculated using proportions (Studies 1 and 2). These findings demonstrate numeric ability as a robust predictor of superior decision making across multiple tasks and outcomes. They also indicate that correlations of decision performance with the CRT are insufficient evidence to implicate overriding intuitions in the decision-making biases and outcomes we examined. Numeric ability appears to be the key mechanism instead.

Numerical Calculation of Internal Human Body Resistances at Power Frequency, and Comparison of them with Experimental Ones

NASA Astrophysics Data System (ADS)

Tarao, Hiroo; Hayashi, Noriyuki; Hamamoto, Isao; Isaka, Katsuo

A numerical method, which is newly developed here, is used in order to calculate internal body resistances in a voxelized biological model. By using this method, the internal resistances of an anatomical human model were calculated for the two current paths: 1400 Ω for a hand to foot, and 1500 Ω for a hand to hand. They are compared with experimental ones (500 ∼ 600 Ω for the hand to foot and 500 ∼ 700 Ω for the hand to hand), resulting in the conclusion that the numerical values of the internal resistance are twice or three times higher than the experimental ones. While there is the discrepancy between the calculated and measured results in the absolute values, the profiles of their relative values along the current paths showed good agreement. This implies that the factors such as the anisotropy of muscle conductivity and the difference between in vivo and in vitro conductivities need to be considered. In fact, in consideration of those factors, the calculated results approached the experimental ones.

Runge-Kutta methods combined with compact difference schemes for the unsteady Euler equations

NASA Technical Reports Server (NTRS)

Yu, Sheng-Tao

1992-01-01

Recent development using compact difference schemes to solve the Navier-Stokes equations show spectral-like accuracy. A study was made of the numerical characteristics of various combinations of the Runge-Kutta (RK) methods and compact difference schemes to calculate the unsteady Euler equations. The accuracy of finite difference schemes is assessed based on the evaluations of dissipative error. The objectives are reducing the numerical damping and, at the same time, preserving numerical stability. While this approach has tremendous success solving steady flows, numerical characteristics of unsteady calculations remain largely unclear. For unsteady flows, in addition to the dissipative errors, phase velocity and harmonic content of the numerical results are of concern. As a result of the discretization procedure, the simulated unsteady flow motions actually propagate in a dispersive numerical medium. Consequently, the dispersion characteristics of the numerical schemes which relate the phase velocity and wave number may greatly impact the numerical accuracy. The aim is to assess the numerical accuracy of the simulated results. To this end, the Fourier analysis is to provide the dispersive correlations of various numerical schemes. First, a detailed investigation of the existing RK methods is carried out. A generalized form of an N-step RK method is derived. With this generalized form, the criteria are derived for the three and four-step RK methods to be third and fourth-order time accurate for the non-linear equations, e.g., flow equations. These criteria are then applied to commonly used RK methods such as Jameson's 3-step and 4-step schemes and Wray's algorithm to identify the accuracy of the methods. For the spatial discretization, compact difference schemes are presented. The schemes are formulated in the operator-type to render themselves suitable for the Fourier analyses. The performance of the numerical methods is shown by numerical examples. These examples are detailed. described. The third case is a two-dimensional simulation of a Lamb vortex in an uniform flow. This calculation provides a realistic assessment of various finite difference schemes in terms of the conservation of the vortex strength and the harmonic content after travelling a substantial distance. The numerical implementation of Giles' non-refelctive equations coupled with the characteristic equations as the boundary condition is discussed in detail. Finally, the single vortex calculation is extended to simulate vortex pairing. For the distance between two vortices less than a threshold value, numerical results show crisp resolution of the vortex merging.

Risk approximation in decision making: approximative numeric abilities predict advantageous decisions under objective risk.

PubMed

Mueller, Silke M; Schiebener, Johannes; Delazer, Margarete; Brand, Matthias

2018-01-22

Many decision situations in everyday life involve mathematical considerations. In decisions under objective risk, i.e., when explicit numeric information is available, executive functions and abilities to handle exact numbers and ratios are predictors of objectively advantageous choices. Although still debated, exact numeric abilities, e.g., normative calculation skills, are assumed to be related to approximate number processing skills. The current study investigates the effects of approximative numeric abilities on decision making under objective risk. Participants (N = 153) performed a paradigm measuring number-comparison, quantity-estimation, risk-estimation, and decision-making skills on the basis of rapid dot comparisons. Additionally, a risky decision-making task with exact numeric information was administered, as well as tasks measuring executive functions and exact numeric abilities, e.g., mental calculation and ratio processing skills, were conducted. Approximative numeric abilities significantly predicted advantageous decision making, even beyond the effects of executive functions and exact numeric skills. Especially being able to make accurate risk estimations seemed to contribute to superior choices. We recommend approximation skills and approximate number processing to be subject of future investigations on decision making under risk.

Prediction of dynamic and aerodynamic characteristics of the centrifugal fan with forward curved blades

NASA Astrophysics Data System (ADS)

Polanský, Jiří; Kalmár, László; Gášpár, Roman

2013-12-01

The main aim of this paper is determine the centrifugal fan with forward curved blades aerodynamic characteristics based on numerical modeling. Three variants of geometry were investigated. The first, basic "A" variant contains 12 blades. The geometry of second "B" variant contains 12 blades and 12 semi-blades with optimal length [1]. The third, control variant "C" contains 24 blades without semi-blades. Numerical calculations were performed by CFD Ansys. Another aim of this paper is to compare results of the numerical simulation with results of approximate numerical procedure. Applied approximate numerical procedure [2] is designated to determine characteristics of the turbulent flow in the bladed space of a centrifugal-flow fan impeller. This numerical method is an extension of the hydro-dynamical cascade theory for incompressible and inviscid fluid flow. Paper also partially compares results from the numerical simulation and results from the experimental investigation. Acoustic phenomena observed during experiment, during numerical simulation manifested as deterioration of the calculation stability, residuals oscillation and thus also as a flow field oscillation. Pressure pulsations are evaluated by using frequency analysis for each variant and working condition.

Calculation of far-field scattering from nonspherical particles using a geometrical optics approach

NASA Technical Reports Server (NTRS)

Hovenac, Edward A.

1991-01-01

A numerical method was developed using geometrical optics to predict far-field optical scattering from particles that are symmetric about the optic axis. The diffractive component of scattering is calculated and combined with the reflective and refractive components to give the total scattering pattern. The phase terms of the scattered light are calculated as well. Verification of the method was achieved by assuming a spherical particle and comparing the results to Mie scattering theory. Agreement with the Mie theory was excellent in the forward-scattering direction. However, small-amplitude oscillations near the rainbow regions were not observed using the numerical method. Numerical data from spheroidal particles and hemispherical particles are also presented. The use of hemispherical particles as a calibration standard for intensity-type optical particle-sizing instruments is discussed.

A numerical study of the effects of design parameters on the acoustics noise of a high efficiency propeller

NASA Astrophysics Data System (ADS)

Yang, Liu; Huang, Jun; Yi, Mingxu; Zhang, Chaopu; Xiao, Qian

2017-11-01

A numerical study of a high efficiency propeller in the aerodynamic noise generation is carried out. Based on RANS, three-dimensional numerical simulation is performed to obtain the aerodynamic performance of the propeller. The result of the aerodynamic analysis is given as input of the acoustic calculation. The sound is calculated using the Farassat 1A, which is derived from Ffowcs Williams-Hawkings equation, and compared with the data of wind tunnel. The propeller is modified for noise reduction by changing its geometrical parameters such as diameter, chord width and pitch angle. The trend of variation between aerodynamic analysis data and acoustic calculation result are compared and discussed for different modification tasks. Meaningful conclusions are drawn on the noise reduction of propeller.

Scalar self-force on eccentric geodesics in Schwarzschild spacetime: A time-domain computation

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

Haas, Roland

2007-06-15

We calculate the self-force acting on a particle with scalar charge moving on a generic geodesic around a Schwarzschild black hole. This calculation requires an accurate computation of the retarded scalar field produced by the moving charge; this is done numerically with the help of a fourth-order convergent finite-difference scheme formulated in the time domain. The calculation also requires a regularization procedure, because the retarded field is singular on the particle's world line; this is handled mode-by-mode via the mode-sum regularization scheme first introduced by Barack and Ori. This paper presents the numerical method, various numerical tests, and a samplemore » of results for mildly eccentric orbits as well as ''zoom-whirl'' orbits.« less

Numerical Calculation of the Spectrum of the Severe (1%) Lighting Current and Its First Derivative

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

Brown, C G; Ong, M M; Perkins, M P

2010-02-12

Recently, the direct-strike lighting environment for the stockpile-to-target sequence was updated [1]. In [1], the severe (1%) lightning current waveforms for first and subsequent return strokes are defined based on Heidler's waveform. This report presents numerical calculations of the spectra of those 1% lightning current waveforms and their first derivatives. First, the 1% lightning current models are repeated here for convenience. Then, the numerical method for calculating the spectra is presented and tested. The test uses a double-exponential waveform and its first derivative, which we fit to the previous 1% direct-strike lighting environment from [2]. Finally, the resulting spectra aremore » given and are compared with those of the double-exponential waveform and its first derivative.« less

Handbook of Industrial Engineering Equations, Formulas, and Calculations

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

Badiru, Adedeji B; Omitaomu, Olufemi A

The first handbook to focus exclusively on industrial engineering calculations with a correlation to applications, Handbook of Industrial Engineering Equations, Formulas, and Calculations contains a general collection of the mathematical equations often used in the practice of industrial engineering. Many books cover individual areas of engineering and some cover all areas, but none covers industrial engineering specifically, nor do they highlight topics such as project management, materials, and systems engineering from an integrated viewpoint. Written by acclaimed researchers and authors, this concise reference marries theory and practice, making it a versatile and flexible resource. Succinctly formatted for functionality, the bookmore » presents: Basic Math Calculations; Engineering Math Calculations; Production Engineering Calculations; Engineering Economics Calculations; Ergonomics Calculations; Facility Layout Calculations; Production Sequencing and Scheduling Calculations; Systems Engineering Calculations; Data Engineering Calculations; Project Engineering Calculations; and Simulation and Statistical Equations. It has been said that engineers make things while industrial engineers make things better. To make something better requires an understanding of its basic characteristics and the underlying equations and calculations that facilitate that understanding. To do this, however, you do not have to be computational experts; you just have to know where to get the computational resources that are needed. This book elucidates the underlying equations that facilitate the understanding required to improve design processes, continuously improving the answer to the age-old question: What is the best way to do a job?« less

Quantifying errors without random sampling.

PubMed

Phillips, Carl V; LaPole, Luwanna M

2003-06-12

All quantifications of mortality, morbidity, and other health measures involve numerous sources of error. The routine quantification of random sampling error makes it easy to forget that other sources of error can and should be quantified. When a quantification does not involve sampling, error is almost never quantified and results are often reported in ways that dramatically overstate their precision. We argue that the precision implicit in typical reporting is problematic and sketch methods for quantifying the various sources of error, building up from simple examples that can be solved analytically to more complex cases. There are straightforward ways to partially quantify the uncertainty surrounding a parameter that is not characterized by random sampling, such as limiting reported significant figures. We present simple methods for doing such quantifications, and for incorporating them into calculations. More complicated methods become necessary when multiple sources of uncertainty must be combined. We demonstrate that Monte Carlo simulation, using available software, can estimate the uncertainty resulting from complicated calculations with many sources of uncertainty. We apply the method to the current estimate of the annual incidence of foodborne illness in the United States. Quantifying uncertainty from systematic errors is practical. Reporting this uncertainty would more honestly represent study results, help show the probability that estimated values fall within some critical range, and facilitate better targeting of further research.

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

PubMed

Petruzielo, F R; Toulouse, Julien; Umrigar, C J

2011-02-14

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.

AQUATOX Features and Tools

EPA Pesticide Factsheets

Numerous features have been included to facilitate the modeling process, from model setup and data input, presentation and analysis of results, to easy export of results to spreadsheet programs for additional analysis.

The Temporal Morphology of Infrasound Propagation

DTIC Science & Technology

2010-01-01

that incorpo- ration of hybrid ground-to-space (G2S) enviromental specifications in numerical calculations of infrasound signal travel time and...Ban Treaty Organization. Numerous studies have demonstrated that incorporation of hybrid ground-to-space (G2S) enviromental specifications in numerical

On Sums of Numerical Series and Fourier Series

ERIC Educational Resources Information Center

Pavao, H. Germano; de Oliveira, E. Capelas

2008-01-01

We discuss a class of trigonometric functions whose corresponding Fourier series, on a conveniently chosen interval, can be used to calculate several numerical series. Particular cases are presented and two recent results involving numerical series are recovered. (Contains 1 note.)

A stable numerical solution method in-plane loading of nonlinear viscoelastic laminated orthotropic materials

NASA Technical Reports Server (NTRS)

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

1989-01-01

In response to the tremendous growth in the development of advanced materials, such as fiber-reinforced plastic (FRP) composite materials, a new numerical method is developed to analyze and predict the time-dependent properties of these materials. Basic concepts in viscoelasticity, laminated composites, and previous viscoelastic numerical methods are presented. A stable numerical method, called the nonlinear differential equation method (NDEM), is developed to calculate the in-plane stresses and strains over any time period for a general laminate constructed from nonlinear viscoelastic orthotropic plies. The method is implemented in an in-plane stress analysis computer program, called VCAP, to demonstrate its usefulness and to verify its accuracy. A number of actual experimental test results performed on Kevlar/epoxy composite laminates are compared to predictions calculated from the numerical method.

Studies of the effects of curvature on dilution jet mixing

NASA Technical Reports Server (NTRS)

Holdeman, James D.; Srinivasan, Ram; Reynolds, Robert S.; White, Craig D.

1992-01-01

An analytical program was conducted using both three-dimensional numerical and empirical models to investigate the effects of transition liner curvature on the mixing of jets injected into a confined crossflow. The numerical code is of the TEACH type with hybrid numerics; it uses the power-law and SIMPLER algorithms, an orthogonal curvilinear coordinate system, and an algebraic Reynolds stress turbulence model. From the results of the numerical calculations, an existing empirical model for the temperature field downstream of single and multiple rows of jets injected into a straight rectangular duct was extended to model the effects of curvature. Temperature distributions, calculated with both the numerical and empirical models, are presented to show the effects of radius of curvature and inner and outer wall injection for single and opposed rows of cool dilution jets injected into a hot mainstream flow.

Induced drag of multiplanes

NASA Technical Reports Server (NTRS)

Prandtl, L

1924-01-01

The most important part of the resistance or drag of a wing system,the induced drag, can be calculated theoretically, when the distribution of lift on the individual wings is known. The calculation is based upon the assumption that the lift on the wings is distributed along the wing in proportion to the ordinates of a semi-ellipse. Formulas and numerical tables are given for calculating the drag. In this connection, the most favorable arrangements of biplanes and triplanes are discussed and the results are further elucidated by means of numerical examples.

Microfluidic Screening of Electric Fields for Electroporation

PubMed Central

Garcia, Paulo A.; Ge, Zhifei; Moran, Jeffrey L.; Buie, Cullen R.

2016-01-01

Electroporation is commonly used to deliver molecules such as drugs, proteins, and/or DNA into cells, but the mechanism remains poorly understood. In this work a rapid microfluidic assay was developed to determine the critical electric field threshold required for inducing bacterial electroporation. The microfluidic device was designed to have a bilaterally converging channel to amplify the electric field to magnitudes sufficient to induce electroporation. The bacterial cells are introduced into the channel in the presence of SYTOX®, which fluorescently labels cells with compromised membranes. Upon delivery of an electric pulse, the cells fluoresce due to transmembrane influx of SYTOX® after disruption of the cell membranes. We calculate the critical electric field by capturing the location within the channel of the increase in fluorescence intensity after electroporation. Bacterial strains with industrial and therapeutic relevance such as Escherichia coli BL21 (3.65 ± 0.09 kV/cm), Corynebacterium glutamicum (5.20 ± 0.20 kV/cm), and Mycobacterium smegmatis (5.56 ± 0.08 kV/cm) have been successfully characterized. Determining the critical electric field for electroporation facilitates the development of electroporation protocols that minimize Joule heating and maximize cell viability. This assay will ultimately enable the genetic transformation of bacteria and archaea considered intractable and difficult-to-transfect, while facilitating fundamental genetic studies on numerous diverse microbes. PMID:26893024

Lattice Boltzmann model for the compressible Navier-Stokes equations with flexible specific-heat ratio.

PubMed

Kataoka, Takeshi; Tsutahara, Michihisa

2004-03-01

We have developed a lattice Boltzmann model for the compressible Navier-Stokes equations with a flexible specific-heat ratio. Several numerical results are presented, and they agree well with the corresponding solutions of the Navier-Stokes equations. In addition, an explicit finite-difference scheme is proposed for the numerical calculation that can make a stable calculation with a large Courant number.

Hybrid reduced order modeling for assembly calculations

DOE PAGES

Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; ...

2015-08-14

While the accuracy of assembly calculations has greatly improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the usemore » of the reduced order modeling for a single physics code, such as a radiation transport calculation. This paper extends those works to coupled code systems as currently employed in assembly calculations. Finally, numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.« less

3D nozzle flow simulations including state-to-state kinetics calculation

NASA Astrophysics Data System (ADS)

Cutrone, L.; Tuttafesta, M.; Capitelli, M.; Schettino, A.; Pascazio, G.; Colonna, G.

2014-12-01

In supersonic and hypersonic flows, thermal and chemical non-equilibrium is one of the fundamental aspects that must be taken into account for the accurate characterization of the plasma. In this paper, we present an optimized methodology to approach plasma numerical simulation by state-to-state kinetics calculations in a fully 3D Navier-Stokes CFD solver. Numerical simulations of an expanding flow are presented aimed at comparing the behavior of state-to-state chemical kinetics models with respect to the macroscopic thermochemical non-equilibrium models that are usually used in the numerical computation of high temperature hypersonic flows. The comparison is focused both on the differences in the numerical results and on the computational effort associated with each approach.

Exploring Hill Ciphers with Graphing Calculators.

ERIC Educational Resources Information Center

St. John, Dennis

1998-01-01

Explains how to code and decode messages using Hill ciphers which combine matrix multiplication and modular arithmetic. Discusses how a graphing calculator can facilitate the matrix and modular arithmetic used in the coding and decoding procedures. (ASK)

How cracks are hot and cool: a burning issue for paper.

PubMed

Toussaint, Renaud; Lengliné, Olivier; Santucci, Stéphane; Vincent-Dospital, Tom; Naert-Guillot, Muriel; Måløy, Knut Jørgen

2016-07-07

Material failure is accompanied by important heat exchange, with extremely high temperature - thousands of degrees - reached at crack tips. Such a temperature may subsequently alter the mechanical properties of stressed solids, and finally facilitate their rupture. Thermal runaway weakening processes could indeed explain stick-slip motions and even be responsible for deep earthquakes. Therefore, to better understand catastrophic rupture events, it appears crucial to establish an accurate energy budget of fracture propagation from a clear measure of various energy dissipation sources. In this work, combining analytical calculations and numerical simulations, we directly relate the temperature field around a moving crack tip to the part α of mechanical energy converted into heat. By monitoring the slow crack growth in paper sheets using an infrared camera, we measure a significant fraction α = 12% ± 4%. Besides, we show that (self-generated) heat accumulation could weaken our samples by microfiber combustion, and lead to a fast crack/dynamic failure/regime.

Van der Waals interaction in uniaxial anisotropic media.

PubMed

Kornilovitch, Pavel E

2013-01-23

Van der Waals interactions between flat surfaces in uniaxial anisotropic media are investigated in the nonretarded limit. The main focus is the effect of nonzero tilt between the optical axis and the surface normal on the strength of the van der Waals attraction. General expressions for the van der Waals free energy are derived using the surface mode method and the transfer-matrix formalism. To facilitate numerical calculations a temperature-dependent three-band parameterization of the dielectric tensor of the liquid crystal 5CB is developed. A solid slab immersed in a liquid crystal experiences a van der Waals torque that aligns the surface normal relative to the optical axis of the medium. The preferred orientation is different for different materials. Two solid slabs in close proximity experience a van der Waals attraction that is strongest for homeotropic alignment of the intervening liquid crystal for all the materials studied. The results have implications for the stability of plate-like colloids in liquid crystal hosts.

An improved exceedance theory for combined random stresses

NASA Technical Reports Server (NTRS)

Lester, H. C.

1974-01-01

An extension is presented of Rice's classic solution for the exceedances of a constant level by a single random process to its counterpart for an n-dimensional vector process. An interaction boundary, analogous to the constant level considered by Rice for the one-dimensional case, is assumed in the form of a hypersurface. The theory for the numbers of boundary exceedances is developed by using a joint statistical approach which fully accounts for all cross-correlation effects. An exact expression is derived for the n-dimensional exceedance density function, which is valid for an arbitrary interaction boundary. For application to biaxial states of combined random stress, the general theory is reduced to the two-dimensional case. An elliptical stress interaction boundary is assumed and the exact expression for the density function is presented. The equations are expressed in a format which facilitates calculating the exceedances by numerically evaluating a line integral. The behavior of the density function for the two-dimensional case is briefly discussed.

Fill factor in organic solar cells can exceed the Shockley-Queisser limit

NASA Astrophysics Data System (ADS)

Trukhanov, Vasily A.; Bruevich, Vladimir V.; Paraschuk, Dmitry Yu.

2015-06-01

The ultimate efficiency of organic solar cells (OSC) is under active debate. The solar cell efficiency is calculated from the current-voltage characteristic as a product of the open-circuit voltage (VOC), short-circuit current (JSC), and the fill factor (FF). While the factors limiting VOC and JSC for OSC were extensively studied, the ultimate FF for OSC is scarcely explored. Using numerical drift-diffusion modeling, we have found that the FF in OSC can exceed the Shockley-Queisser limit (SQL) established for inorganic p-n junction solar cells. Comparing charge generation and recombination in organic donor-acceptor bilayer heterojunction and inorganic p-n junction, we show that such distinctive properties of OSC as interface charge generation and heterojunction facilitate high FF, but the necessary condition for FF exceeding the SQL in OSC is field-dependence of charge recombination at the donor-acceptor interface. These findings can serve as a guideline for further improvement of OSC.

A simple scaling law for the equation of state and the radial distribution functions calculated by density-functional theory molecular dynamics

NASA Astrophysics Data System (ADS)

Danel, J.-F.; Kazandjian, L.

2018-06-01

It is shown that the equation of state (EOS) and the radial distribution functions obtained by density-functional theory molecular dynamics (DFT-MD) obey a simple scaling law. At given temperature, the thermodynamic properties and the radial distribution functions given by a DFT-MD simulation remain unchanged if the mole fractions of nuclei of given charge and the average volume per atom remain unchanged. A practical interest of this scaling law is to obtain an EOS table for a fluid from that already obtained for another fluid if it has the right characteristics. Another practical interest of this result is that an asymmetric mixture made up of light and heavy atoms requiring very different time steps can be replaced by a mixture of atoms of equal mass, which facilitates the exploration of the configuration space in a DFT-MD simulation. The scaling law is illustrated by numerical results.

Gravitational Instabilities in Gaseous Protoplanetary Disks and Implications for Giant Planet Formation

NASA Astrophysics Data System (ADS)

Durisen, R. H.; Boss, A. P.; Mayer, L.; Nelson, A. F.; Quinn, T.; Rice, W. K. M.

Protoplanetary gas disks are likely to experience gravitational instabilities (GIs) during some phase of their evolution. Density perturbations in an unstable disk grow on a dynamic timescale into spiral arms that produce efficient outward transfer of angular momentum and inward transfer of mass through gravitational torques. In a cool disk with sufficiently rapid cooling, the spiral arms in an unstable disk form self-gravitating clumps. Whether gas giant protoplanets can form by such a disk instability process is the primary question addressed by this review. We discuss the wide range of calculations undertaken by ourselves and others using various numerical techniques, and we report preliminary results from a large multicode collaboration. Additional topics include triggering mechanisms for GIs, disk heating and cooling, orbital survival of dense clumps, interactions of solids with GI-driven waves and shocks, and hybrid scenarios where GIs facilitate core accretion. The review ends with a discussion of how well disk instability and core accretion fare in meeting observational constraints.

HolT Hunter: Software for Identifying and Characterizing Low-Strain DNA Holliday Triangles

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

Sherman W. B.

2012-06-05

Synthetic DNA nanostructures are most commonly held together via Holliday junctions. These junctions allow for a wide variety of different angles between the double helices they connect. Nevertheless, only constructs with a very limited selection of angles have been built, to date, because of the computational complexity of identifying structures that fit together with low strain at odd angles. I have developed an algorithm that finds over 95% of the possible solutions by breaking the problem down into two portions. First, there is a problem of how smooth rods can form triangles by lying across one another. This problem ismore » easily handled by numerical computation. Second, there is the question of how distorted DNA double helices would need to be to fit onto the rod structure. This strain is calculated directly. The algorithm has been implemented in a Mathematica 8 notebook called Holliday Triangle Hunter. A large database of solutions has been identified. Additional interface software is available to facilitate drawing and viewing models.« less

Limiting Energy Dissipation Induces Glassy Kinetics in Single-Cell High-Precision Responses.

PubMed

Das, Jayajit

2016-03-08

Single cells often generate precise responses by involving dissipative out-of-thermodynamic-equilibrium processes in signaling networks. The available free energy to fuel these processes could become limited depending on the metabolic state of an individual cell. How does limiting dissipation affect the kinetics of high-precision responses in single cells? I address this question in the context of a kinetic proofreading scheme used in a simple model of early-time T cell signaling. Using exact analytical calculations and numerical simulations, I show that limiting dissipation qualitatively changes the kinetics in single cells marked by emergence of slow kinetics, large cell-to-cell variations of copy numbers, temporally correlated stochastic events (dynamic facilitation), and ergodicity breaking. Thus, constraints in energy dissipation, in addition to negatively affecting ligand discrimination in T cells, can create a fundamental difficulty in determining single-cell kinetics from cell-population results. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Control volume analyses of glottal flow using a fully-coupled numerical fluid-structure interaction model

NASA Astrophysics Data System (ADS)

Yang, Jubiao; Krane, Michael; Zhang, Lucy

2013-11-01

Vocal fold vibrations and the glottal jet are successfully simulated using the modified Immersed Finite Element method (mIFEM), a fully coupled dynamics approach to model fluid-structure interactions. A self-sustained and steady vocal fold vibration is captured given a constant pressure input at the glottal entrance. The flow rates at different axial locations in the glottis are calculated, showing small variations among them due to the vocal fold motion and deformation. To further facilitate the understanding of the phonation process, two control volume analyses, specifically with Bernoulli's equation and Newton's 2nd law, are carried out for the glottal flow based on the simulation results. A generalized Bernoulli's equation is derived to interpret the correlations between the velocity and pressure temporally and spatially along the center line which is a streamline using a half-space model with symmetry boundary condition. A specialized Newton's 2nd law equation is developed and divided into terms to help understand the driving mechanism of the glottal flow.

Tensor numerical methods in quantum chemistry: from Hartree-Fock to excitation energies.

PubMed

Khoromskaia, Venera; Khoromskij, Boris N

2015-12-21

We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the low-rank representation of the multidimensional functions and integral operators, first appeared as an accurate tensor calculus for the 3D Hartree potential using 1D complexity operations, and have evolved to entirely grid-based tensor-structured 3D Hartree-Fock eigenvalue solver. It benefits from tensor calculation of the core Hamiltonian and two-electron integrals (TEI) in O(n log n) complexity using the rank-structured approximation of basis functions, electron densities and convolution integral operators all represented on 3D n × n × n Cartesian grids. The algorithm for calculating TEI tensor in a form of the Cholesky decomposition is based on multiple factorizations using algebraic 1D "density fitting" scheme, which yield an almost irreducible number of product basis functions involved in the 3D convolution integrals, depending on a threshold ε > 0. The basis functions are not restricted to separable Gaussians, since the analytical integration is substituted by high-precision tensor-structured numerical quadratures. The tensor approaches to post-Hartree-Fock calculations for the MP2 energy correction and for the Bethe-Salpeter excitation energies, based on using low-rank factorizations and the reduced basis method, were recently introduced. Another direction is towards the tensor-based Hartree-Fock numerical scheme for finite lattices, where one of the numerical challenges is the summation of electrostatic potentials of a large number of nuclei. The 3D grid-based tensor method for calculation of a potential sum on a L × L × L lattice manifests the linear in L computational work, O(L), instead of the usual O(L(3) log L) scaling by the Ewald-type approaches.

Applications of Laplace transform methods to airfoil motion and stability calculations

NASA Technical Reports Server (NTRS)

Edwards, J. W.

1979-01-01

This paper reviews the development of generalized unsteady aerodynamic theory and presents a derivation of the generalized Possio integral equation. Numerical calculations resolve questions concerning subsonic indicial lift functions and demonstrate the generation of Kutta waves at high values of reduced frequency, subsonic Mach number, or both. The use of rational function approximations of unsteady aerodynamic loads in aeroelastic stability calculations is reviewed, and a reformulation of the matrix Pade approximation technique is given. Numerical examples of flutter boundary calculations for a wing which is to be flight tested are given. Finally, a simplified aerodynamic model of transonic flow is used to study the stability of an airfoil exposed to supersonic and subsonic flow regions.

Physical Limitations, Walkability, Perceived Environmental Facilitators and Physical Activity of Older Adults in Finland

PubMed Central

Portegijs, Erja; Keskinen, Kirsi E.; Tsai, Li-Tang; Rantanen, Taina; Rantakokko, Merja

2017-01-01

The aim was to study objectively assessed walkability of the environment and participant perceived environmental facilitators for outdoor mobility as predictors of physical activity in older adults with and without physical limitations. 75–90-year-old adults living independently in Central Finland were interviewed (n = 839) and reassessed for self-reported physical activity one or two years later (n = 787). Lower-extremity physical limitations were defined as Short Physical Performance Battery score ≤9. Number of perceived environmental facilitators was calculated from a 16-item checklist. Walkability index (land use mix, street connectivity, population density) of the home environment was calculated from geographic information and categorized into tertiles. Accelerometer-based step counts were registered for one week (n = 174). Better walkability was associated with higher numbers of perceived environmental facilitators (p < 0.001) and higher physical activity (self-reported p = 0.021, step count p = 0.010). Especially among those with physical limitations, reporting more environmental facilitators was associated with higher odds for reporting at least moderate physical activity (p < 0.001), but not step counts. Perceived environmental facilitators only predicted self-reported physical activity at follow-up. To conclude, high walkability of the living environment provides opportunities for physical activity in old age, but among those with physical limitations especially, awareness of environmental facilitators may be needed to promote physical activity. PMID:28327543

Physical Limitations, Walkability, Perceived Environmental Facilitators and Physical Activity of Older Adults in Finland.

PubMed

Portegijs, Erja; Keskinen, Kirsi E; Tsai, Li-Tang; Rantanen, Taina; Rantakokko, Merja

2017-03-22

The aim was to study objectively assessed walkability of the environment and participant perceived environmental facilitators for outdoor mobility as predictors of physical activity in older adults with and without physical limitations. 75-90-year-old adults living independently in Central Finland were interviewed ( n = 839) and reassessed for self-reported physical activity one or two years later ( n = 787). Lower-extremity physical limitations were defined as Short Physical Performance Battery score ≤9. Number of perceived environmental facilitators was calculated from a 16-item checklist. Walkability index (land use mix, street connectivity, population density) of the home environment was calculated from geographic information and categorized into tertiles. Accelerometer-based step counts were registered for one week ( n = 174). Better walkability was associated with higher numbers of perceived environmental facilitators ( p < 0.001) and higher physical activity (self-reported p = 0.021, step count p = 0.010). Especially among those with physical limitations, reporting more environmental facilitators was associated with higher odds for reporting at least moderate physical activity ( p < 0.001), but not step counts. Perceived environmental facilitators only predicted self-reported physical activity at follow-up. To conclude, high walkability of the living environment provides opportunities for physical activity in old age, but among those with physical limitations especially, awareness of environmental facilitators may be needed to promote physical activity.

Interactive visualization of numerical simulation results: A tool for mission planning and data analysis

NASA Technical Reports Server (NTRS)

Berchem, J.; Raeder, J.; Walker, R. J.; Ashour-Abdalla, M.

1995-01-01

We report on the development of an interactive system for visualizing and analyzing numerical simulation results. This system is based on visualization modules which use the Application Visualization System (AVS) and the NCAR graphics packages. Examples from recent simulations are presented to illustrate how these modules can be used for displaying and manipulating simulation results to facilitate their comparison with phenomenological model results and observations.

Advanced numerical models and material characterisation techniques for composite materials subject to impact and shock wave loading

NASA Astrophysics Data System (ADS)

Clegg, R. A.; White, D. M.; Hayhurst, C.; Ridel, W.; Harwick, W.; Hiermaier, S.

2003-09-01

The development and validation of an advanced material model for orthotropic materials, such as fibre reinforced composites, is described. The model is specifically designed to facilitate the numerical simulation of impact and shock wave propagation through orthotropic materials and the prediction of subsequent material damage. Initial development of the model concentrated on correctly representing shock wave propagation in composite materials under high and hypervelocity impact conditions [1]. This work has now been extended to further concentrate on the development of improved numerical models and material characterisation techniques for the prediction of damage, including residual strength, in fibre reinforced composite materials. The work is focussed on Kevlar-epoxy however materials such as CFRP are also being considered. The paper describes our most recent activities in relation to the implementation of advanced material modelling options in this area. These enable refined non-liner directional characteristics of composite materials to be modelled, in addition to the correct thermodynamic response under shock wave loading. The numerical work is backed by an extensive experimental programme covering a wide range of static and dynamic tests to facilitate derivation of model input data and to validate the predicted material response. Finally, the capability of the developing composite material model is discussed in relation to a hypervelocity impact problem.

Assessment of numerical techniques for unsteady flow calculations

NASA Technical Reports Server (NTRS)

Hsieh, Kwang-Chung

1989-01-01

The characteristics of unsteady flow motions have long been a serious concern in the study of various fluid dynamic and combustion problems. With the advancement of computer resources, numerical approaches to these problems appear to be feasible. The objective of this paper is to assess the accuracy of several numerical schemes for unsteady flow calculations. In the present study, Fourier error analysis is performed for various numerical schemes based on a two-dimensional wave equation. Four methods sieved from the error analysis are then adopted for further assessment. Model problems include unsteady quasi-one-dimensional inviscid flows, two-dimensional wave propagations, and unsteady two-dimensional inviscid flows. According to the comparison between numerical and exact solutions, although second-order upwind scheme captures the unsteady flow and wave motions quite well, it is relatively more dissipative than sixth-order central difference scheme. Among various numerical approaches tested in this paper, the best performed one is Runge-Kutta method for time integration and six-order central difference for spatial discretization.

Multi-dimensional high order essentially non-oscillatory finite difference methods in generalized coordinates

NASA Technical Reports Server (NTRS)

Shu, Chi-Wang

1992-01-01

The nonlinear stability of compact schemes for shock calculations is investigated. In recent years compact schemes were used in various numerical simulations including direct numerical simulation of turbulence. However to apply them to problems containing shocks, one has to resolve the problem of spurious numerical oscillation and nonlinear instability. A framework to apply nonlinear limiting to a local mean is introduced. The resulting scheme can be proven total variation (1D) or maximum norm (multi D) stable and produces nice numerical results in the test cases. The result is summarized in the preprint entitled 'Nonlinearly Stable Compact Schemes for Shock Calculations', which was submitted to SIAM Journal on Numerical Analysis. Research was continued on issues related to two and three dimensional essentially non-oscillatory (ENO) schemes. The main research topics include: parallel implementation of ENO schemes on Connection Machines; boundary conditions; shock interaction with hydrogen bubbles, a preparation for the full combustion simulation; and direct numerical simulation of compressible sheared turbulence.

Numerical calculation of the decay widths, the decay constants, and the decay energy spectra of the resonances of the delta-shell potential

NASA Astrophysics Data System (ADS)

de la Madrid, Rafael

2017-06-01

We express the resonant energies of the delta-shell potential in terms of the Lambert W function, and we calculate their decay widths and decay constants. The ensuing numerical results strengthen the interpretation of such decay widths and constants as a way to quantify the coupling between a resonance and the continuum. We calculate explicitly the decay energy spectrum of the resonances of the delta-shell potential, and we show numerically that the lineshape of such spectrum is not the same as, and can be very different from, the Breit-Wigner (Lorentzian) distribution. We argue that the standard Golden Rule cannot describe the interference of two resonances, and we show how to describe such interference by way of the decay energy spectrum of two resonant states.

Multi-GPU accelerated three-dimensional FDTD method for electromagnetic simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2011-01-01

Numerical simulation with a numerical human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the numerical human model, we adapt three-dimensional FDTD code to a multi-GPU environment using Compute Unified Device Architecture (CUDA). In this study, we used NVIDIA Tesla C2070 as GPGPU boards. The performance of multi-GPU is evaluated in comparison with that of a single GPU and vector supercomputer. The calculation speed with four GPUs was approximately 3.5 times faster than with a single GPU, and was slightly (approx. 1.3 times) slower than with the supercomputer. Calculation speed of the three-dimensional FDTD method using GPUs can significantly improve with an expanding number of GPUs.

Improvement of patient return electrodes in electrosurgery by experimental investigations and numerical field calculations.

PubMed

Golombeck, M A; Dössel, O; Raiser, J

2003-09-01

Numerical field calculations and experimental investigations were performed to examine the heating of the surface of human skin during the application of a new electrode design for the patient return electrode. The new electrode is characterised by an equipotential ring around the central electrode pads. A multi-layer thigh model was used, to which the patient return electrode and the active electrode were connected. The simulation geometry and the dielectric tissue parameters were set according to the frequency of the current. The temperature rise at the skin surface due to the flow of current was evaluated using a two-step numerical solving procedure. The results were compared with experimental thermographical measurements that yielded a mean value of maximum temperature increase of 3.4 degrees C and a maximum of 4.5 degrees C in one test case. The calculated heating patterns agreed closely with the experimental results. However, the calculated mean value in ten different numerical models of the maximum temperature increase of 12.5 K (using a thermodynamic solver) exceeded the experimental value owing to neglect of heat transport by blood flow and also because of the injection of a higher test current, as in the clinical tests. The implementation of a simple worst-case formula that could significantly simplify the numerical process led to a substantial overestimation of the mean value of the maximum skin temperature of 22.4 K and showed only restricted applicability. The application of numerical methods confirmed the experimental assertions and led to a general understanding of the observed heating effects and hotspots. Furthermore, it was possible to demonstrate the beneficial effects of the new electrode design with an equipotential ring. These include a balanced heating pattern and the absence of hotspots.

Weighing the costs: Implementing the SLMTA programme in Zimbabwe using internal versus external facilitators.

PubMed

Shumba, Edwin; Nzombe, Phoebe; Mbinda, Absolom; Simbi, Raiva; Mangwanya, Douglas; Kilmarx, Peter H; Luman, Elizabeth T; Zimuto, Sibongile N

2014-01-01

In 2010, the Zimbabwe Ministry of Health and Child Welfare (MoHCW) adopted the Strengthening Laboratory Management Toward Accreditation (SLMTA) programme as a tool for laboratory quality systems strengthening. To evaluate the financial costs of SLMTA implementation using two models (external facilitators; and internal local or MoHCW facilitators) from the perspective of the implementing partner and to estimate resources needed to scale up the programme nationally in all 10 provinces. The average expenditure per laboratory was calculated based on accounting records; calculations included implementing partner expenses but excluded in-kind contributions and salaries of local facilitators and trainees. We also estimated theoretical financial costs, keeping all contextual variables constant across the two models. Resource needs for future national expansion were estimated based on a two-phase implementation plan, in which 12 laboratories in each of five provinces would implement SLMTA per phase; for the internal facilitator model, 20 facilitators would be trained at the beginning of each phase. The average expenditure to implement SLMTA in 11 laboratories using external facilitators was approximately US$5800 per laboratory; expenditure in 19 laboratories using internal facilitators was approximately $6000 per laboratory. The theoretical financial cost of implementing a 12-laboratory SLMTA cohort keeping all contextual variables constant would be approximately $58 000 using external facilitators; or $15 000 using internal facilitators, plus $86 000 to train 20 facilitators. The financial cost for subsequent SLMTA cohorts using the previously-trained internal facilitators would be approximately $15 000, yielding a break-even point of 2 cohorts, at $116 000 for either model. Estimated resources required for national implementation in 120 laboratories would therefore be $580 000 using external facilitators ($58 000 per province) and $322 000 using internal facilitators ($86 000 for facilitator training in each of two phases plus $15 000 for SLMTA implementation in each province). Investing in training of internal facilitators will result in substantial savings over the scale-up of the programme. Our study provides information to assist policy makers to develop strategic plans for investing in laboratory strengthening.

Amplitudes of doping striations: comparison of numerical calculations and analytical approaches

NASA Astrophysics Data System (ADS)

Jung, T.; Müller, G.

1997-02-01

Transient, axisymmetric numerical calculations of the heat and species transport including convection were performed for a simplified vertical gradient freeze (Bridgman) process with bottom seeding for GaAs. Periodical oscillations were superimposed onto the transient heater temperature profile. The amplitudes of the resulting oscillations of the growth rate and the dopant concentration (striations) in the growing crystals are compared with the predictions of analytical models.

Z{gamma}{gamma}{gamma} {yields} 0 Processes in SANC

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

Bardin, D. Yu., E-mail: bardin@nu.jinr.ru; Kalinovskaya, L. V., E-mail: kalinov@nu.jinr.ru; Uglov, E. D., E-mail: corner@nu.jinr.ru

2013-11-15

We describe the analytic and numerical evaluation of the {gamma}{gamma} {yields} {gamma}Z process cross section and the Z {yields} {gamma}{gamma}{gamma} decay rate within the SANC system multi-channel approach at the one-loop accuracy level with all masses taken into account. The corresponding package for numeric calculations is presented. For checking of the results' correctness we make a comparison with the other independent calculations.

Numerical calculation of the internal flow field in a centrifugal compressor impeller

NASA Technical Reports Server (NTRS)

Walitt, L.; Harp, J. L., Jr.; Liu, C. Y.

1975-01-01

An iterative numerical method has been developed for the calculation of steady, three-dimensional, viscous, compressible flow fields in centrifugal compressor impellers. The computer code, which embodies the method, solves the steady three dimensional, compressible Navier-Stokes equations in rotating, curvilinear coordinates. The solution takes place on blade-to-blade surfaces of revolution which move from the hub to the shroud during each iteration.

Comparison of Numerical Analyses with a Static Load Test of a Continuous Flight Auger Pile

NASA Astrophysics Data System (ADS)

Hoľko, Michal; Stacho, Jakub

2014-12-01

The article deals with numerical analyses of a Continuous Flight Auger (CFA) pile. The analyses include a comparison of calculated and measured load-settlement curves as well as a comparison of the load distribution over a pile's length. The numerical analyses were executed using two types of software, i.e., Ansys and Plaxis, which are based on FEM calculations. Both types of software are different from each other in the way they create numerical models, model the interface between the pile and soil, and use constitutive material models. The analyses have been prepared in the form of a parametric study, where the method of modelling the interface and the material models of the soil are compared and analysed. Our analyses show that both types of software permit the modelling of pile foundations. The Plaxis software uses advanced material models as well as the modelling of the impact of groundwater or overconsolidation. The load-settlement curve calculated using Plaxis is equal to the results of a static load test with a more than 95 % degree of accuracy. In comparison, the load-settlement curve calculated using Ansys allows for the obtaining of only an approximate estimate, but the software allows for the common modelling of large structure systems together with a foundation system.

Basic numerical processing, calculation, and working memory in children with dyscalculia and/or ADHD symptoms.

PubMed

Kuhn, Jörg-Tobias; Ise, Elena; Raddatz, Julia; Schwenk, Christin; Dobel, Christian

2016-09-01

Deficits in basic numerical skills, calculation, and working memory have been found in children with developmental dyscalculia (DD) as well as children with attention-deficit/hyperactivity disorder (ADHD). This paper investigates cognitive profiles of children with DD and/or ADHD symptoms (AS) in a double dissociation design to obtain a better understanding of the comorbidity of DD and ADHD. Children with DD-only (N = 33), AS-only (N = 16), comorbid DD+AS (N = 20), and typically developing controls (TD, N = 40) were assessed on measures of basic numerical processing, calculation, working memory, processing speed, and neurocognitive measures of attention. Children with DD (DD, DD+AS) showed deficits in all basic numerical skills, calculation, working memory, and sustained attention. Children with AS (AS, DD+AS) displayed more selective difficulties in dot enumeration, subtraction, verbal working memory, and processing speed. Also, they generally performed more poorly in neurocognitive measures of attention, especially alertness. Children with DD+AS mostly showed an additive combination of the deficits associated with DD-only and A_Sonly, except for subtraction tasks, in which they were less impaired than expected. DD and AS appear to be related to largely distinct patterns of cognitive deficits, which are present in combination in children with DD+AS.

A Gaussian quadrature method for total energy analysis in electronic state calculations

NASA Astrophysics Data System (ADS)

Fukushima, Kimichika

This article reports studies by Fukushima and coworkers since 1980 concerning their highly accurate numerical integral method using Gaussian quadratures to evaluate the total energy in electronic state calculations. Gauss-Legendre and Gauss-Laguerre quadratures were used for integrals in the finite and infinite regions, respectively. Our previous article showed that, for diatomic molecules such as CO and FeO, elliptic coordinates efficiently achieved high numerical integral accuracy even with a numerical basis set including transition metal atomic orbitals. This article will generalize straightforward details for multiatomic systems with direct integrals in each decomposed elliptic coordinate determined from the nuclear positions of picked-up atom pairs. Sample calculations were performed for the molecules O3 and H2O. This article will also try to present, in another coordinate, a numerical integral by partially using the Becke's decomposition published in 1988, but without the Becke's fuzzy cell generated by the polynomials of internuclear distance between the pair atoms. Instead, simple nuclear weights comprising exponential functions around nuclei are used. The one-center integral is performed with a Gaussian quadrature pack in a spherical coordinate, included in the author's original program in around 1980. As for this decomposition into one-center integrals, sample calculations are carried out for Li2.

Calculating Gravitational Wave Signature from Binary Black Hole Mergers

NASA Technical Reports Server (NTRS)

Centrella, Joan M.

2003-01-01

Calculations of the final merger stage of binary black hole evolution can only be carried out using full scale numerical relativity simulations. We review the status of these calculations, highlighting recent progress and current challenges.

Geometrical optical transfer function: is it worth calculating?

PubMed

Díaz, José A; Mahajan, Virendra N

2017-10-01

In this paper, we explore the merit of calculating the geometrical optical transfer function (GOTF) in optical design by comparing the time to calculate it with the time to calculate the diffraction optical transfer function (DOTF). We determine the DOTF by numerical integration of the pupil function autocorrelation (that reduces to an integration of a complex exponential of the aberration difference function), 2D digital autocorrelation of the pupil function, and the Fourier transform (FT) of the point-spread function (PSF); and we determine the GOTF by the FT of the geometrical PSF (that reduces to an integration over the pupil plane of a complex exponential that is a scalar product of the spatial frequency and transverse ray aberration vectors) and the FT of the spot diagram. Our starting point for calculating the DOTF is the wave aberrations of the system in its pupil plane, and the transverse ray aberrations in the image plane for the GOTF. Numerical results for primary aberrations and some typical imaging systems show that the direct numerical integrations are slow, but the GOTF calculation by a FT of the spot diagram is two or even three times slower than the DOTF calculation by an FT of the PSF, depending on the aberration. We conclude that the calculation of GOTF is, at best, an approximation of the DOTF and only for large aberrations; GOTF does not offer any advantage in the optical design process, and hence negates its utility.

Numerical calculation of Kossel diagrams of cholesteric blue phases

NASA Astrophysics Data System (ADS)

Fukuda, Jun-ichi; Okumura, Yasushi; Kikuchi, Hirotsugu

2018-02-01

Kossel diagrams visualize the directions of strong Bragg reflections from a specimen with periodic ordering. They have played a pivotal role in the determination of the symmetry of cholesteric blue phases, and in the investigation of their structural changes under an electric field. In this work, we present direct numerical calculations of the Kossel diagrams of cholesteric blue phases by solving the Maxwell equations for the transmission and reflection of light incident upon a finite-thickness blue phase cell. Calculated Kossel diagrams are in good agreement with what is expected as a result of Bragg reflections, although some differences are present.

Formal Solutions for Polarized Radiative Transfer. I. The DELO Family

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

Janett, Gioele; Carlin, Edgar S.; Steiner, Oskar

The discussion regarding the numerical integration of the polarized radiative transfer equation is still open and the comparison between the different numerical schemes proposed by different authors in the past is not fully clear. Aiming at facilitating the comprehension of the advantages and drawbacks of the different formal solvers, this work presents a reference paradigm for their characterization based on the concepts of order of accuracy , stability , and computational cost . Special attention is paid to understand the numerical methods belonging to the Diagonal Element Lambda Operator family, in an attempt to highlight their specificities.

A numerical method for solving the 3D unsteady incompressible Navier Stokes equations in curvilinear domains with complex immersed boundaries

NASA Astrophysics Data System (ADS)

Ge, Liang; Sotiropoulos, Fotis

2007-08-01

A novel numerical method is developed that integrates boundary-conforming grids with a sharp interface, immersed boundary methodology. The method is intended for simulating internal flows containing complex, moving immersed boundaries such as those encountered in several cardiovascular applications. The background domain (e.g. the empty aorta) is discretized efficiently with a curvilinear boundary-fitted mesh while the complex moving immersed boundary (say a prosthetic heart valve) is treated with the sharp-interface, hybrid Cartesian/immersed-boundary approach of Gilmanov and Sotiropoulos [A. Gilmanov, F. Sotiropoulos, A hybrid cartesian/immersed boundary method for simulating flows with 3d, geometrically complex, moving bodies, Journal of Computational Physics 207 (2005) 457-492.]. To facilitate the implementation of this novel modeling paradigm in complex flow simulations, an accurate and efficient numerical method is developed for solving the unsteady, incompressible Navier-Stokes equations in generalized curvilinear coordinates. The method employs a novel, fully-curvilinear staggered grid discretization approach, which does not require either the explicit evaluation of the Christoffel symbols or the discretization of all three momentum equations at cell interfaces as done in previous formulations. The equations are integrated in time using an efficient, second-order accurate fractional step methodology coupled with a Jacobian-free, Newton-Krylov solver for the momentum equations and a GMRES solver enhanced with multigrid as preconditioner for the Poisson equation. Several numerical experiments are carried out on fine computational meshes to demonstrate the accuracy and efficiency of the proposed method for standard benchmark problems as well as for unsteady, pulsatile flow through a curved, pipe bend. To demonstrate the ability of the method to simulate flows with complex, moving immersed boundaries we apply it to calculate pulsatile, physiological flow through a mechanical, bileaflet heart valve mounted in a model straight aorta with an anatomical-like triple sinus.

Research on numerical simulation and protection of transient process in long-distance slurry transportation pipelines

NASA Astrophysics Data System (ADS)

Lan, G.; Jiang, J.; Li, D. D.; Yi, W. S.; Zhao, Z.; Nie, L. N.

2013-12-01

The calculation of water-hammer pressure phenomenon of single-phase liquid is already more mature for a pipeline of uniform characteristics, but less research has addressed the calculation of slurry water hammer pressure in complex pipelines with slurry flows carrying solid particles. In this paper, based on the developments of slurry pipelines at home and abroad, the fundamental principle and method of numerical simulation of transient processes are presented, and several boundary conditions are given. Through the numerical simulation and analysis of transient processes of a practical engineering of long-distance slurry transportation pipeline system, effective protection measures and operating suggestions are presented. A model for calculating the water impact of solid and fluid phases is established based on a practical engineering of long-distance slurry pipeline transportation system. After performing a numerical simulation of the transient process, analyzing and comparing the results, effective protection measures and operating advice are recommended, which has guiding significance to the design and operating management of practical engineering of longdistance slurry pipeline transportation system.

Dual-band plasmonic resonator based on Jerusalem cross-shaped nanoapertures

NASA Astrophysics Data System (ADS)

Cetin, Arif E.; Kaya, Sabri; Mertiri, Alket; Aslan, Ekin; Erramilli, Shyamsunder; Altug, Hatice; Turkmen, Mustafa

2015-06-01

In this paper, we both experimentally and numerically introduce a dual-resonant metamaterial based on subwavelength Jerusalem cross-shaped apertures. We numerically investigate the physical origin of the dual-resonant behavior, originating from the constituting aperture elements, through finite difference time domain calculations. Our numerical calculations show that at the dual-resonances, the aperture system supports large and easily accessible local electromagnetic fields. In order to experimentally realize the aperture system, we utilize a high-precision and lift-off free fabrication method based on electron-beam lithography. We also introduce a fine-tuning mechanism for controlling the dual-resonant spectral response through geometrical device parameters. Finally, we show the aperture system's highly advantageous far- and near-field characteristics through numerical calculations on refractive index sensitivity. The quantitative analyses on the availability of the local fields supported by the aperture system are employed to explain the grounds behind the sensitivity of each spectral feature within the dual-resonant behavior. Possessing dual-resonances with large and accessible electromagnetic fields, Jerusalem cross-shaped apertures can be highly advantageous for wide range of applications demanding multiple spectral features with strong nearfield characteristics.

Basic and Exceptional Calculation Abilities in a Calculating Prodigy: A Case Study.

ERIC Educational Resources Information Center

Pesenti, Mauro; Seron, Xavier; Samson, Dana; Duroux, Bruno

1999-01-01

Describes the basic and exceptional calculation abilities of a calculating prodigy whose performances were investigated in single- and multi-digit number multiplication, numerical comparison, raising of powers, and short-term memory tasks. Shows how his highly efficient long-term memory storage and retrieval processes, knowledge of calculation…

Analytical Approach to (2+1)-Dimensional Boussinesq Equation and (3+1)-Dimensional Kadomtsev-Petviashvili Equation

NASA Astrophysics Data System (ADS)

Sarıaydın, Selin; Yıldırım, Ahmet

2010-05-01

In this paper, we studied the solitary wave solutions of the (2+1)-dimensional Boussinesq equation utt -uxx-uyy-(u2)xx-uxxxx = 0 and the (3+1)-dimensional Kadomtsev-Petviashvili (KP) equation uxt -6ux 2 +6uuxx -uxxxx -uyy -uzz = 0. By using this method, an explicit numerical solution is calculated in the form of a convergent power series with easily computable components. To illustrate the application of this method numerical results are derived by using the calculated components of the homotopy perturbation series. The numerical solutions are compared with the known analytical solutions. Results derived from our method are shown graphically.

Numerical modeling method on the movement of water flow and suspended solids in two-dimensional sedimentation tanks in the wastewater treatment plant.

PubMed

Zeng, Guang-Ming; Jiang, Yi-Min; Qin, Xiao-Sheng; Huang, Guo-He; Li, Jian-Bing

2003-01-01

Taking the distributing calculation of velocity and concentration as an example, the paper established a series of governing equations by the vorticity-stream function method, and dispersed the equations by the finite differencing method. After figuring out the distribution field of velocity, the paper also calculated the concentration distribution in sedimentation tank by using the two-dimensional concentration transport equation. The validity and feasibility of the numerical method was verified through comparing with experimental data. Furthermore, the paper carried out a tentative exploration into the application of numerical simulation of sedimentation tanks.

Verification of an Analytical Method for Measuring Crystal Nucleation Rates in Glasses from DTA Data

NASA Technical Reports Server (NTRS)

Ranasinghe, K. S.; Wei, P. F.; Kelton, K. F.; Ray, C. S.; Day, D. E.

2004-01-01

A recently proposed analytical (DTA) method for estimating the nucleation rates in glasses has been evaluated by comparing experimental data with numerically computed nucleation rates for a model lithium disilicate glass. The time and temperature dependent nucleation rates were predicted using the model and compared with those values from an analysis of numerically calculated DTA curves. The validity of the numerical approach was demonstrated earlier by a comparison with experimental data. The excellent agreement between the nucleation rates from the model calculations and fiom the computer generated DTA data demonstrates the validity of the proposed analytical DTA method.

Entropy Generation/Availability Energy Loss Analysis Inside MIT Gas Spring and "Two Space" Test Rigs

NASA Technical Reports Server (NTRS)

Ebiana, Asuquo B.; Savadekar, Rupesh T.; Patel, Kaushal V.

2006-01-01

The results of the entropy generation and availability energy loss analysis under conditions of oscillating pressure and oscillating helium gas flow in two Massachusetts Institute of Technology (MIT) test rigs piston-cylinder and piston-cylinder-heat exchanger are presented. Two solution domains, the gas spring (single-space) in the piston-cylinder test rig and the gas spring + heat exchanger (two-space) in the piston-cylinder-heat exchanger test rig are of interest. Sage and CFD-ACE+ commercial numerical codes are used to obtain 1-D and 2-D computer models, respectively, of each of the two solution domains and to simulate the oscillating gas flow and heat transfer effects in these domains. Second law analysis is used to characterize the entropy generation and availability energy losses inside the two solution domains. Internal and external entropy generation and availability energy loss results predicted by Sage and CFD-ACE+ are compared. Thermodynamic loss analysis of simple systems such as the MIT test rigs are often useful to understand some important features of complex pattern forming processes in more complex systems like the Stirling engine. This study is aimed at improving numerical codes for the prediction of thermodynamic losses via the development of a loss post-processor. The incorporation of loss post-processors in Stirling engine numerical codes will facilitate Stirling engine performance optimization. Loss analysis using entropy-generation rates due to heat and fluid flow is a relatively new technique for assessing component performance. It offers a deep insight into the flow phenomena, allows a more exact calculation of losses than is possible with traditional means involving the application of loss correlations and provides an effective tool for improving component and overall system performance.

Prediction of Quality Change During Thawing of Frozen Tuna Meat by Numerical Calculation I

NASA Astrophysics Data System (ADS)

Murakami, Natsumi; Watanabe, Manabu; Suzuki, Toru

A numerical calculation method has been developed to determine the optimum thawing method for minimizing the increase of metmyoglobin content (metMb%) as an indicator of color changes in frozen tuna meat during thawing. The calculation method is configured the following two steps: a) calculation of temperature history in each part of frozen tuna meat during thawing by control volume method under the assumption of one-dimensional heat transfer, and b) calculation of metMb% based on the combination of calculated temperature history, Arrenius equation and the first-order reaction equation for the increase rate of metMb%. Thawing experiments for measuring temperature history of frozen tuna meat were carried out under the conditions of rapid thawing and slow thawing to compare the experimental data with calculated temperature history as well as the increase of metMb%. The results were coincident with the experimental data. The proposed simulation method would be useful for predicting the optimum thawing conditions in terms of metMb%.

Quantum mechanical calculations of vibrational population inversion in chemical reactions - Numerically exact L-squared-amplitude-density study of the H2Br reactive system

NASA Technical Reports Server (NTRS)

Zhang, Y. C.; Zhang, J. Z. H.; Kouri, D. J.; Haug, K.; Schwenke, D. W.

1988-01-01

Numerically exact, fully three-dimensional quantum mechanicl reactive scattering calculations are reported for the H2Br system. Both the exchange (H + H-prime Br to H-prime + HBr) and abstraction (H + HBR to H2 + Br) reaction channels are included in the calculations. The present results are the first completely converged three-dimensional quantum calculations for a system involving a highly exoergic reaction channel (the abstraction process). It is found that the production of vibrationally hot H2 in the abstraction reaction, and hence the extent of population inversion in the products, is a sensitive function of initial HBr rotational state and collision energy.

Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires.

PubMed

Yan, Jie-Yun

2018-06-13

Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires is studied. Based on the excitonic theory, the numerical method to calculate the photoconductivity spectrum in the nanowires is developed, which can simulate optical pump terahertz-probe spectroscopy measurements on real nanowires and thereby calculate the typical photoconductivity spectrum. With the help of the energetic structure deduced from the calculated linear absorption spectrum, the numerically observed shift of the resonant peak in the photoconductivity spectrum is found to result from the dominant exciton transition between excited or continuum states to the ground state, and the quantitative analysis is in good agreement with the quantum plasmon model. Besides, the dependence of the photoconductivity on the polarization of the terahertz field is also discussed. The numerical method and supporting theoretical analysis provide a new tool for experimentalists to understand the terahertz photoconductivity in intrinsic semiconductor nanowires at low temperatures or for nanowires subjected to below bandgap photoexcitation, where excitonic effects dominate.

Numerical calculation of primary slot leakage inductance of a Single-sided HTS linear induction motor used for linear metro

NASA Astrophysics Data System (ADS)

Li, Dong; Wen, Yinghong; Li, Weili; Fang, Jin; Cao, Junci; Zhang, Xiaochen; Lv, Gang

2017-03-01

In the paper, the numerical method calculating asymmetric primary slot leakage inductances of Single-sided High-Temperature Superconducting (HTS) Linear Induction Motor (HTS LIM) is presented. The mathematical and geometric models of three-dimensional nonlinear transient electromagnetic field are established and the boundary conditions are also given. The established model is solved by time-stepping Finite Element Method (FEM). Then, the three-phase asymmetric primary slot leakage inductances under different operation conditions are calculated by using the obtained electromagnetic field distribution. The influences of the special effects such as longitudinal end effects, transversal edge effects, etc. on the primary slot leakage inductance are investigated. The presented numerical method is validated by experiments carried out on a 3.5 kW prototype with copper wires which has the same structures with the HTS LIM.

Calculation of wakefields in 2D rectangular structures

DOE PAGES

Zagorodnov, I.; Bane, K. L. F.; Stupakov, G.

2015-10-19

We consider the calculation of electromagnetic fields generated by an electron bunch passing through a vacuum chamber structure that, in general, consists of an entry pipe, followed by some kind of transition or cavity, and ending in an exit pipe. We limit our study to structures having rectangular cross section, where the height can vary as function of longitudinal coordinate but the width and side walls remain fixed. For such structures, we derive a Fourier representation of the wake potentials through one-dimensional functions. A new numerical approach for calculating the wakes in such structures is proposed and implemented in themore » computer code echo(2d). The computation resource requirements for this approach are moderate and comparable to those for finding the wakes in 2D rotationally symmetric structures. Finally, we present numerical examples obtained with the new numerical code.« less

Numerical noise prediction in fluid machinery

NASA Astrophysics Data System (ADS)

Pantle, Iris; Magagnato, Franco; Gabi, Martin

2005-09-01

Numerical methods successively became important in the design and optimization of fluid machinery. However, as noise emission is considered, one can hardly find standardized prediction methods combining flow and acoustical optimization. Several numerical field methods for sound calculations have been developed. Due to the complexity of the considered flow, approaches must be chosen to avoid exhaustive computing. In this contribution the noise of a simple propeller is investigated. The configurations of the calculations comply with an existing experimental setup chosen for evaluation. The used in-house CFD solver SPARC contains an acoustic module based on Ffowcs Williams-Hawkings Acoustic Analogy. From the flow results of the time dependent Large Eddy Simulation the time dependent acoustic sources are extracted and given to the acoustic module where relevant sound pressure levels are calculated. The difficulties, which arise while proceeding from open to closed rotors and from gas to liquid are discussed.

Numerical methods in laminar and turbulent flow; Proceedings of the 7th International Conference, Stanford Univ., CA, July 15-19, 1991. Vol. 7, pts. 1 & 2

NASA Technical Reports Server (NTRS)

Taylor, C. (Editor); Chin, J. H. (Editor); Homsy, G. M. (Editor)

1991-01-01

Consideration is given to the impulse response of a laminar boundary layer and receptivity; numerical transition to turbulence in plane Poiseuille flow; large eddy simulation of turbulent wake flow; a viscous model and loss calculation of a multisplitter cascade; vortex initiation during dynamic stall of an airfoil; a numerical analysis of isothermal flow in a combustion chamber; and compressible flow calculations with a two-equation turbulence model and unstructured grids. Attention is also given to a 2D calculation of a buoyant flow around a burning sphere, a fast multigrid method for 3D turbulent incompressible flows, a streaming flow induced by an oscillating cascade of circular cylinders, an algebraic multigrid scheme for solving the Navier-Stokes equations on unstructured meshes; and nonlinear coupled multigrid solutions to thermal problems employing different nodal grid arrangements and convective transport approximations.

Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires

NASA Astrophysics Data System (ADS)

Yan, Jie-Yun

2018-06-01

Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires is studied. Based on the excitonic theory, the numerical method to calculate the photoconductivity spectrum in the nanowires is developed, which can simulate optical pump terahertz-probe spectroscopy measurements on real nanowires and thereby calculate the typical photoconductivity spectrum. With the help of the energetic structure deduced from the calculated linear absorption spectrum, the numerically observed shift of the resonant peak in the photoconductivity spectrum is found to result from the dominant exciton transition between excited or continuum states to the ground state, and the quantitative analysis is in good agreement with the quantum plasmon model. Besides, the dependence of the photoconductivity on the polarization of the terahertz field is also discussed. The numerical method and supporting theoretical analysis provide a new tool for experimentalists to understand the terahertz photoconductivity in intrinsic semiconductor nanowires at low temperatures or for nanowires subjected to below bandgap photoexcitation, where excitonic effects dominate.

Numerical Modeling of Flow Distribution in Micro-Fluidics Systems

NASA Technical Reports Server (NTRS)

Majumdar, Alok; Cole, Helen; Chen, C. P.

2005-01-01

This paper describes an application of a general purpose computer program, GFSSP (Generalized Fluid System Simulation Program) for calculating flow distribution in a network of micro-channels. GFSSP employs a finite volume formulation of mass and momentum conservation equations in a network consisting of nodes and branches. Mass conservation equation is solved for pressures at the nodes while the momentum conservation equation is solved at the branches to calculate flowrate. The system of equations describing the fluid network is solved by a numerical method that is a combination of the Newton-Raphson and successive substitution methods. The numerical results have been compared with test data and detailed CFD (computational Fluid Dynamics) calculations. The agreement between test data and predictions is satisfactory. The discrepancies between the predictions and test data can be attributed to the frictional correlation which does not include the effect of surface tension or electro-kinetic effect.

Numerical analysis and experimental verification of elastomer bending process with different material models

NASA Astrophysics Data System (ADS)

Kut, Stanislaw; Ryzinska, Grazyna; Niedzialek, Bernadetta

2016-01-01

The article presents the results of tests in order to verifying the effectiveness of the nine selected elastomeric material models (Neo-Hookean, Mooney with two and three constants, Signorini, Yeoh, Ogden, Arruda-Boyce, Gent and Marlow), which the material constants were determined in one material test - the uniaxial tension testing. The convergence assessment of nine analyzed models were made on the basis of their performance from an experimental bending test of the elastomer samples from the results of numerical calculations FEM for each material models. To calculate the material constants for the analyzed materials, a model has been generated by the stressstrain characteristics created as a result of experimental uniaxial tensile test with elastomeric dumbbell samples, taking into account the parameters received in its 18th cycle. Using such a calculated material constants numerical simulation of the bending process of a elastomeric, parallelepipedic sampleswere carried out using MARC / Mentat program.

Space Shuttle astrodynamical constants

NASA Technical Reports Server (NTRS)

Cockrell, B. F.; Williamson, B.

1978-01-01

Basic space shuttle astrodynamic constants are reported for use in mission planning and construction of ground and onboard software input loads. The data included here are provided to facilitate the use of consistent numerical values throughout the project.

Sediment transport primer: estimating bed-material transport in gravel-bed rivers

Treesearch

Peter Wilcock; John Pitlick; Yantao Cui

2009-01-01

This primer accompanies the release of BAGS, software developed to calculate sediment transport rate in gravel-bed rivers. BAGS and other programs facilitate calculation and can reduce some errors, but cannot ensure that calculations are accurate or relevant. This primer was written to help the software user define relevant and tractable problems, select appropriate...

Model Hosting for continuous updating and transparent Water Resources Management

NASA Astrophysics Data System (ADS)

Jódar, Jorge; Almolda, Xavier; Batlle, Francisco; Carrera, Jesús

2013-04-01

Numerical models have become a standard tool for water resources management. They are required for water volume bookkeeping and help in decision making. Nevertheless, numerical models are complex and they can be used only by highly qualified technicians, which are often far from the decision makers. Moreover, they need to be maintained. That is, they require updating of their state, by assimilation of measurements, natural and anthropic actions (e.g., pumping and weather data), and model parameters. Worst, their very complexity implies that are they viewed as obscure and far, which hinders transparency and governance. We propose internet model hosting as an alternative to overcome these limitations. The basic idea is to keep the model hosted in the cloud. The model is updated as new data (measurements and external forcing) becomes available, which ensures continuous maintenance, with a minimal human cost (only required to address modelling problems). Internet access facilitates model use not only by modellers, but also by people responsible for data gathering and by water managers. As a result, the model becomes an institutional tool shared by water agencies to help them not only in decision making for sustainable management of water resources, but also in generating a common discussion platform. By promoting intra-agency sharing, the model becomes the common official position of the agency, which facilitates commitment in their adopted decisions regarding water management. Moreover, by facilitating access to stakeholders and the general public, the state of the aquifer and the impacts of alternative decisions become transparent. We have developed a tool (GAC, Global Aquifer Control) to address the above requirements. The application has been developed using Cloud Computing technologies, which facilitates the above operations. That is, GAC automatically updates the numerical models with the new available measurements, and then simulates numerous management options as required. To this end the application generates as many computing virtual machines as needed, customizing their size (CPU, memory…) accounting for all the particular requirements of every numerical model. Results are presented from a quantitative point of view (i.e. groundwater as a resource), and also from a qualitative perspective (i.e. the use of solute concentrations in groundwater as an environmental vector). In both cases detailed mass balances time series are obtained which can be used jointly with all the input and output model data to solve water conflicts between the different actors using and/or affecting the groundwater of the aquifer.

Specular reflection treatment for the 3D radiative transfer equation solved with the discrete ordinates method

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

Le Hardy, D.; Favennec, Y., E-mail: yann.favennec@univ-nantes.fr; Rousseau, B.

The contribution of this paper relies in the development of numerical algorithms for the mathematical treatment of specular reflection on borders when dealing with the numerical solution of radiative transfer problems. The radiative transfer equation being integro-differential, the discrete ordinates method allows to write down a set of semi-discrete equations in which weights are to be calculated. The calculation of these weights is well known to be based on either a quadrature or on angular discretization, making the use of such method straightforward for the state equation. Also, the diffuse contribution of reflection on borders is usually well taken intomore » account. However, the calculation of accurate partition ratio coefficients is much more tricky for the specular condition applied on arbitrary geometrical borders. This paper presents algorithms that calculate analytically partition ratio coefficients needed in numerical treatments. The developed algorithms, combined with a decentered finite element scheme, are validated with the help of comparisons with analytical solutions before being applied on complex geometries.« less

An Laudau-Lifschitz theory based algorithm on calculating post-buckling configuration of a rod buckling in elastic media

NASA Astrophysics Data System (ADS)

Huang, Shicheng; Tan, Likun; Hu, Nan; Grover, Hannah; Chu, Kevin; Chen, Zi

This reserach introduces a new numerical approach of calculating the post-buckling configuration of a thin rod embedded in elastic media. The theoretical base is the governing ODEs describing the balance of forces and moments, the length conservation, and the physics of bending and twisting by Laudau and Lifschitz. The numerical methods applied in the calculation are continuation method and Newton's method of iteration in combination with spectrum method. To the authors' knowledge, it is the first trial of directly applying the L-L theory to numerically studying the phenomenon of rod buckling in elastic medium. This method accounts for nonlinearity of geometry, thus is capable of calculating large deformation. The stability of this method is another advantage achieved by expressing the governing equations in a set of first-order derivative form. The wave length, amplitude, and decay effect all agree with the experiment without any further assumptions. This program can be applied to different occasions with varying stiffness of the elastic medai and rigidity of the rod.

A comparison between implicit and hybrid methods for the calculation of steady and unsteady inlet flows

NASA Technical Reports Server (NTRS)

Coakley, T. J.; Hsieh, T.

1985-01-01

Numerical simulation of steady and unsteady transonic diffuser flows using two different computer codes are discussed and compared with experimental data. The codes solve the Reynolds-averaged, compressible, Navier-Stokes equations using various turbulence models. One of the codes has been applied extensively to diffuser flows and uses the hybrid method of MacCormack. This code is relatively inefficient numerically. The second code, which was developed more recently, is fully implicit and is relatively efficient numerically. Simulations of steady flows using the implicit code are shown to be in good agreement with simulations using the hybrid code. Both simulations are in good agreement with experimental results. Simulations of unsteady flows using the two codes are in good qualitative agreement with each other, although the quantitative agreement is not as good as in the steady flow cases. The implicit code is shown to be eight times faster than the hybrid code for unsteady flow calculations and up to 32 times faster for steady flow calculations. Results of calculations using alternative turbulence models are also discussed.

Power calculation for overall hypothesis testing with high-dimensional commensurate outcomes.

PubMed

Chi, Yueh-Yun; Gribbin, Matthew J; Johnson, Jacqueline L; Muller, Keith E

2014-02-28

The complexity of system biology means that any metabolic, genetic, or proteomic pathway typically includes so many components (e.g., molecules) that statistical methods specialized for overall testing of high-dimensional and commensurate outcomes are required. While many overall tests have been proposed, very few have power and sample size methods. We develop accurate power and sample size methods and software to facilitate study planning for high-dimensional pathway analysis. With an account of any complex correlation structure between high-dimensional outcomes, the new methods allow power calculation even when the sample size is less than the number of variables. We derive the exact (finite-sample) and approximate non-null distributions of the 'univariate' approach to repeated measures test statistic, as well as power-equivalent scenarios useful to generalize our numerical evaluations. Extensive simulations of group comparisons support the accuracy of the approximations even when the ratio of number of variables to sample size is large. We derive a minimum set of constants and parameters sufficient and practical for power calculation. Using the new methods and specifying the minimum set to determine power for a study of metabolic consequences of vitamin B6 deficiency helps illustrate the practical value of the new results. Free software implementing the power and sample size methods applies to a wide range of designs, including one group pre-intervention and post-intervention comparisons, multiple parallel group comparisons with one-way or factorial designs, and the adjustment and evaluation of covariate effects. Copyright © 2013 John Wiley & Sons, Ltd.

Applying 'evidence-based medicine' theory to interventional radiology. Part 2: a spreadsheet for swift assessment of procedural benefit and harm.

PubMed

Maceneaney, P M; Malone, D E

2000-12-01

To design a spreadsheet program to analyse interventional radiology (IR) data rapidly produced in local research or reported in the literature using 'evidence-based medicine' (EBM) parameters of treatment benefit and harm. Microsoft Excel(TM)was used. The spreadsheet consists of three worksheets. The first shows the 'Levels of Evidence and Grades of Recommendations' that can be assigned to therapeutic studies as defined by the Oxford Centre for EBM. The second and third worksheets facilitate the EBM assessment of therapeutic benefit and harm. Validity criteria are described. These include the assessment of the adequacy of sample size in the detection of possible procedural complications. A contingency (2 x 2) table for raw data on comparative outcomes in treated patients and controls has been incorporated. Formulae for EBM calculations are related to these numerators and denominators in the spreadsheet. The parameters calculated are benefit - relative risk reduction, absolute risk reduction, number needed to treat (NNT). Harm - relative risk, relative odds, number needed to harm (NNH). Ninety-five per cent confidence intervals are calculated for all these indices. The results change automatically when the data in the therapeutic outcome cells are changed. A final section allows the user to correct the NNT or NNH in their application to individual patients. This spreadsheet can be used on desktop and palmtop computers. The MS Excel(TM)version can be downloaded via the Internet from the URL ftp://radiography.com/pub/TxHarm00.xls. A spreadsheet is useful for the rapid analysis of the clinical benefit and harm from IR procedures.

Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils.

PubMed

Wilkinson, Karl A; Hine, Nicholas D M; Skylaris, Chris-Kriton

2014-11-11

We present a hybrid MPI-OpenMP implementation of Linear-Scaling Density Functional Theory within the ONETEP code. We illustrate its performance on a range of high performance computing (HPC) platforms comprising shared-memory nodes with fast interconnect. Our work has focused on applying OpenMP parallelism to the routines which dominate the computational load, attempting where possible to parallelize different loops from those already parallelized within MPI. This includes 3D FFT box operations, sparse matrix algebra operations, calculation of integrals, and Ewald summation. While the underlying numerical methods are unchanged, these developments represent significant changes to the algorithms used within ONETEP to distribute the workload across CPU cores. The new hybrid code exhibits much-improved strong scaling relative to the MPI-only code and permits calculations with a much higher ratio of cores to atoms. These developments result in a significantly shorter time to solution than was possible using MPI alone and facilitate the application of the ONETEP code to systems larger than previously feasible. We illustrate this with benchmark calculations from an amyloid fibril trimer containing 41,907 atoms. We use the code to study the mechanism of delamination of cellulose nanofibrils when undergoing sonification, a process which is controlled by a large number of interactions that collectively determine the structural properties of the fibrils. Many energy evaluations were needed for these simulations, and as these systems comprise up to 21,276 atoms this would not have been feasible without the developments described here.

DEVELOPMENTS IN GRworkbench

NASA Astrophysics Data System (ADS)

Moylan, Andrew; Scott, Susan M.; Searle, Anthony C.

2006-02-01

The software tool GRworkbench is an ongoing project in visual, numerical General Relativity at The Australian National University. Recently, GRworkbench has been significantly extended to facilitate numerical experimentation in analytically-defined space-times. The numerical differential geometric engine has been rewritten using functional programming techniques, enabling objects which are normally defined as functions in the formalism of differential geometry and General Relativity to be directly represented as function variables in the C++ code of GRworkbench. The new functional differential geometric engine allows for more accurate and efficient visualisation of objects in space-times and makes new, efficient computational techniques available. Motivated by the desire to investigate a recent scientific claim using GRworkbench, new tools for numerical experimentation have been implemented, allowing for the simulation of complex physical situations.

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

NASA Technical Reports Server (NTRS)

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

1981-01-01

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

Numerical modeling of reverse recovery characteristic in silicon pin diodes

NASA Astrophysics Data System (ADS)

Yamashita, Yusuke; Tadano, Hiroshi

2018-07-01

A new numerical reverse recovery model of silicon pin diode is proposed by the approximation of the reverse recovery waveform as a simple shape. This is the first model to calculate the reverse recovery characteristics using numerical equations without adjusted by fitting equations and fitting parameters. In order to verify the validity and the accuracy of the numerical model, the calculation result from the model is verified through the device simulation result. In 1980, he joined Toyota Central R&D Labs, Inc., where he was involved in the research and development of power devices such as SIT, IGBT, diodes and power MOSFETs. Since 2013 he has been a professor at the Graduate School of Pure and Applied Science, University of Tsukuba, Tsukuba, Japan. His current research interest is high-efficiency power conversion circuits for electric vehicles using advanced power devices.

Numerical study of the transient flow in the driven tube and the nozzle section of a shock tunnel

NASA Technical Reports Server (NTRS)

Tokarcik-Polsky, Susan; Cambier, Jean-Luc

1993-01-01

The initial flow in a shock tunnel was examined numerically using computational fluid dynamics (CFD). A finite-volume total variation diminishing (TVD) scheme was used to calculate the transient flow in a shock tunnel. Both viscous and inviscid, chemically nonreacting flows were studied. The study consisted of two parts, the first dealt with the transient flow in the driven-tube/nozzle interface region (inviscid calculations). The effects of varying the geometry in this region was examined. The second part of the study examined the transient flow in the nozzle (viscous calculations). The results were compared to experimental data.

Numerical simulation of MPD thruster flows with anomalous transport

NASA Technical Reports Server (NTRS)

Caldo, Giuliano; Choueiri, Edgar Y.; Kelly, Arnold J.; Jahn, Robert G.

1992-01-01

Anomalous transport effects in an Ar self-field coaxial MPD thruster are presently studied by means of a fully 2D two-fluid numerical code; its calculations are extended to a range of typical operating conditions. An effort is made to compare the spatial distribution of the steady state flow and field properties and thruster power-dissipation values for simulation runs with and without anomalous transport. A conductivity law based on the nonlinear saturation of lower hybrid current-driven instability is used for the calculations. Anomalous-transport simulation runs have indicated that the resistivity in specific areas of the discharge is significantly higher than that calculated in classical runs.

Measurement and Numerical Calculation of Force on a Particle in a Strong Acoustic Field Required for Levitation

NASA Astrophysics Data System (ADS)

Kozuka, Teruyuki; Yasui, Kyuichi; Tuziuti, Toru; Towata, Atsuya; Lee, Judy; Iida, Yasuo

2009-07-01

Using a standing-wave field generated between a sound source and a reflector, it is possible to trap small objects at nodes of the sound pressure distribution in air. In this study, a sound field generated under a flat or concave reflector was studied by both experimental measurement and numerical calculation. The calculated result agrees well with the experimental data. The maximum force generated between a sound source of 25.0 mm diameter and a concave reflector is 0.8 mN in the experiment. A steel ball of 2.0 mm in diameter was levitated in the sound field in air.

Numeracy Skills in Patients With Degenerative Disorders and Focal Brain Lesions

PubMed Central

Cappelletti, Marinella; Butterworth, Brian; Kopelman, Michael

2012-01-01

Objective: To characterize the numerical profile of patients with acquired brain disorders. Method: We investigated numeracy skills in 76 participants—40 healthy controls and 36 patients with neurodegenerative disorders (Alzheimer dementia, frontotemporal dementia, semantic dementia, progressive aphasia) and with focal brain lesions affecting parietal, frontal, and temporal areas as in herpes simplex encephalitis (HSE). All patients were tested with the same comprehensive battery of paper-and-pencil and computerized tasks assessing numerical abilities and calculation. Degenerative and HSE patients also performed nonnumerical semantic tasks. Results: Our results, based on nonparametric group statistics as well as on the analysis of individual patients, and all highly significant, show that: (a) all patients, including those with parietal lesions—a key brain area for numeracy processing—had intact processing of number quantity; (b) patients with impaired semantic knowledge had much better preserved numerical knowledge; and (c) most patients showed impaired calculation skills, with the exception of most semantic dementia and HSE patients. Conclusion: Our results allow us, for the first time, to characterize the numeracy skills in patients with a variety of neurological conditions and to suggest that the pattern of numerical performance can vary considerably across different neurological populations. Moreover, the selective sparing of calculation skills in most semantic dementia and HSE suggest that numerical abilities are an independent component of the semantic system. Finally, our data suggest that, besides the parietal areas, other brain regions might be critical to the understanding and processing of numerical concepts. PMID:22122516

75 FR 41914 - Self-Regulatory Organizations; Notice of Filing and Immediate Effectiveness of Proposed Rule...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-19

... consolidated last sale price by the same specified percentage. The numerical percentage proposed to be used in the Trading Collar price calculations will be equal to the appropriate ``numerical guideline... Collars will automatically be adjusted to match any future changes in the numerical guidelines in NYSE...

The MATH--Open Source Application for Easier Learning of Numerical Mathematics

ERIC Educational Resources Information Center

Glaser-Opitz, Henrich; Budajová, Kristina

2016-01-01

The article introduces a software application (MATH) supporting an education of Applied Mathematics, with focus on Numerical Mathematics. The MATH is an easy to use tool supporting various numerical methods calculations with graphical user interface and integrated plotting tool for graphical representation written in Qt with extensive use of Qwt…

Student Performance Predictors Involving Numerically Based Subject Matter: Lecture versus Web Presentation

ERIC Educational Resources Information Center

Guidry, Krisandra

2013-01-01

This study examines whether student performance predictors in a numerically based lecture course are similar to those for the web version of the same course. A numerically based course involves quantitative concepts and requires mathematical calculations. Data were collected from students taking a financial management class at a medium sized state…

Numerical Package in Computer Supported Numeric Analysis Teaching

ERIC Educational Resources Information Center

Tezer, Murat

2007-01-01

At universities in the faculties of Engineering, Sciences, Business and Economics together with higher education in Computing, it is stated that because of the difficulty, calculators and computers can be used in Numerical Analysis (NA). In this study, the learning computer supported NA will be discussed together with important usage of the…

Numerical Analysis and Improved Algorithms for Lyapunov-Exponent Calculation of Discrete-Time Chaotic Systems

NASA Astrophysics Data System (ADS)

He, Jianbin; Yu, Simin; Cai, Jianping

2016-12-01

Lyapunov exponent is an important index for describing chaotic systems behavior, and the largest Lyapunov exponent can be used to determine whether a system is chaotic or not. For discrete-time dynamical systems, the Lyapunov exponents are calculated by an eigenvalue method. In theory, according to eigenvalue method, the more accurate calculations of Lyapunov exponent can be obtained with the increment of iterations, and the limits also exist. However, due to the finite precision of computer and other reasons, the results will be numeric overflow, unrecognized, or inaccurate, which can be stated as follows: (1) The iterations cannot be too large, otherwise, the simulation result will appear as an error message of NaN or Inf; (2) If the error message of NaN or Inf does not appear, then with the increment of iterations, all Lyapunov exponents will get close to the largest Lyapunov exponent, which leads to inaccurate calculation results; (3) From the viewpoint of numerical calculation, obviously, if the iterations are too small, then the results are also inaccurate. Based on the analysis of Lyapunov-exponent calculation in discrete-time systems, this paper investigates two improved algorithms via QR orthogonal decomposition and SVD orthogonal decomposition approaches so as to solve the above-mentioned problems. Finally, some examples are given to illustrate the feasibility and effectiveness of the improved algorithms.

The vector radiative transfer numerical model of coupled ocean-atmosphere system using the matrix-operator method

NASA Astrophysics Data System (ADS)

Xianqiang, He; Delu, Pan; Yan, Bai; Qiankun, Zhu

2005-10-01

The numerical model of the vector radiative transfer of the coupled ocean-atmosphere system is developed based on the matrix-operator method, which is named PCOART. In PCOART, using the Fourier analysis, the vector radiative transfer equation (VRTE) splits up into a set of independent equations with zenith angle as only angular coordinate. Using the Gaussian-Quadrature method, VRTE is finally transferred into the matrix equation, which is calculated by using the adding-doubling method. According to the reflective and refractive properties of the ocean-atmosphere interface, the vector radiative transfer numerical model of ocean and atmosphere is coupled in PCOART. By comparing with the exact Rayleigh scattering look-up-table of MODIS(Moderate-resolution Imaging Spectroradiometer), it is shown that PCOART is an exact numerical calculation model, and the processing methods of the multi-scattering and polarization are correct in PCOART. Also, by validating with the standard problems of the radiative transfer in water, it is shown that PCOART could be used to calculate the underwater radiative transfer problems. Therefore, PCOART is a useful tool to exactly calculate the vector radiative transfer of the coupled ocean-atmosphere system, which can be used to study the polarization properties of the radiance in the whole ocean-atmosphere system and the remote sensing of the atmosphere and ocean.

Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems, task 1: Ducted propfan analysis

NASA Technical Reports Server (NTRS)

Hall, Edward J.; Delaney, Robert A.; Bettner, James L.

1990-01-01

The time-dependent three-dimensional Euler equations of gas dynamics were solved numerically to study the steady compressible transonic flow about ducted propfan propulsion systems. Aerodynamic calculations were based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. An implicit residual smoothing operator was used to aid convergence. Two calculation grids were employed in this study. The first grid utilized an H-type mesh network with a branch cut opening to represent the axisymmetric cowl. The second grid utilized a multiple-block mesh system with a C-type grid about the cowl. The individual blocks were numerically coupled in the Euler solver. Grid systems were generated by a combined algebraic/elliptic algortihm developed specifically for ducted propfans. Numerical calculations were initially performed for unducted propfans to verify the accuracy of the three-dimensional Euler formulation. The Euler analyses were then applied for the calculation of ducted propfan flows, and predicted results were compared with experimental data for two cases. The three-dimensional Euler analyses displayed exceptional accuracy, although certain parameters were observed to be very sensitive to geometric deflections. Both solution schemes were found to be very robust and demonstrated nearly equal efficiency and accuracy, although it was observed that the multi-block C-grid formulation provided somewhat better resolution of the cowl leading edge region.

How the Geothermal Community Upped the Game for Computer Codes

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

None

The Geothermal Technologies Office Code Comparison Study brought 11 research institutions together to collaborate on coupled thermal, hydrologic, geomechanical, and geochemical numerical simulators. These codes have the potential to help facilitate widespread geothermal energy development.

Early Foundations for Mathematics Learning and Their Relations to Learning Disabilities.

PubMed

Geary, David C

2013-02-01

Children's quantitative competencies upon entry into school can have lifelong consequences. Children who start behind generally stay behind, and mathematical skills at school completion influence employment prospects and wages in adulthood. I review the current debate over whether early quantitative learning is supported by (a) an inherent system for representing approximate magnitudes, (b) an attentional-control system that enables explicit processing of quantitative symbols, such as Arabic numerals, or (c) the logical problem-solving abilities that facilitate learning of the relations among numerals. Studies of children with mathematical learning disabilities and difficulties have suggested that each of these competencies may be involved, but to different degrees and at different points in the learning process. Clarifying how and when these competencies facilitate early quantitative learning and developing interventions to address their impact on children have the potential to yield substantial benefits for individuals and for society.

The application of rational approximation in the calculation of a temperature field with a non-linear surface heat-transfer coefficient during quenching for 42CrMo steel cylinder

NASA Astrophysics Data System (ADS)

Cheng, Heming; Huang, Xieqing; Fan, Jiang; Wang, Honggang

1999-10-01

The calculation of a temperature field has a great influence upon the analysis of thermal stresses and stains during quenching. In this paper, a 42CrMo steel cylinder was used an example for investigation. From the TTT diagram of the 42CrMo steel, the CCT diagram was simulated by mathematical transformation, and the volume fraction of phase constituents was calculated. The thermal physical properties were treated as functions of temperature and the volume fraction of phase constituents. The rational approximation was applied to the finite element method. The temperature field with phase transformation and non-linear surface heat-transfer coefficients was calculated using this technique, which can effectively avoid oscillationin the numerical solution for a small time step. The experimental results of the temperature field calculation coincide with the numerical solutions.

Numerical Calculation Method for Prediction of Ground-borne Vibration near Subway Tunnel

NASA Astrophysics Data System (ADS)

Tsuno, Kiwamu; Furuta, Masaru; Abe, Kazuhisa

This paper describes the development of prediction method for ground-borne vibration from railway tunnels. Field measurement was carried out both in a subway shield tunnel, in the ground and on the ground surface. The generated vibration in the tunnel was calculated by means of the train/track/tunnel interaction model and was compared with the measurement results. On the other hand, wave propagation in the ground was calculated utilizing the empirical model, which was proposed based on the relationship between frequency and material damping coefficient α in order to predict the attenuation in the ground in consideration of frequency characteristics. Numerical calculation using 2-dimensinal FE analysis was also carried out in this research. The comparison between calculated and measured results shows that the prediction method including the model for train/track/tunnel interaction and that for wave propagation is applicable to the prediction of train-induced vibration propagated from railway tunnel.

Computation of viscous flows over airfoils, including separation, with a coupling approach

NASA Technical Reports Server (NTRS)

Leballeur, J. C.

1983-01-01

Viscous incompressible flows over single or multiple airfoils, with or without separation, were computed using an inviscid flow calculation, with modified boundary conditions, and by a method providing calculation and coupling for boundary layers and wakes, within conditions of strong viscous interaction. The inviscid flow is calculated with a method of singularities, the numerics of which were improved by using both source and vortex distributions over profiles, associated with regularity conditions for the fictitious flows inside of the airfoils. The viscous calculation estimates the difference between viscous flow and inviscid interacting flow, with a direct or inverse integral method, laminar or turbulent, with or without reverse flow. The numerical method for coupling determines iteratively the boundary conditions for the inviscid flow. For attached viscous layers regions, an underrelaxation is locally calculated to insure stability. For separated or separating regions, a special semi-inverse algorithm is used. Comparisons with experiments are presented.

Calculations of turbulent separated flows

NASA Technical Reports Server (NTRS)

Zhu, J.; Shih, T. H.

1993-01-01

A numerical study of incompressible turbulent separated flows is carried out by using two-equation turbulence models of the K-epsilon type. On the basis of realizability analysis, a new formulation of the eddy-viscosity is proposed which ensures the positiveness of turbulent normal stresses - a realizability condition that most existing two-equation turbulence models are unable to satisfy. The present model is applied to calculate two backward-facing step flows. Calculations with the standard K-epsilon model and a recently developed RNG-based K-epsilon model are also made for comparison. The calculations are performed with a finite-volume method. A second-order accurate differencing scheme and sufficiently fine grids are used to ensure the numerical accuracy of solutions. The calculated results are compared with the experimental data for both mean and turbulent quantities. The comparison shows that the present model performs quite well for separated flows.

CFD simulation of the combustion process of the low-emission vortex boiler

NASA Astrophysics Data System (ADS)

Chernov, A. A.; Maryandyshev, P. A.; Pankratov, E. V.; Lubov, V. K.

2017-11-01

Domestic heat and power engineering needs means and methods for optimizing the existing boiler plants in order to increase their technical, economic and environmental work. The development of modern computer technology, methods of numerical modeling and specialized software greatly facilitates the solution of many emerging problems. CFD simulation allows to obtaine precise results of thermochemical and aerodynamic processes taking place in the furnace of boilers in order to optimize their operation modes and develop directions for their modernization. The paper presents the results of simulation of the combustion process of a low-emission vortex coal boiler of the model E-220/100 using the software package Ansys Fluent. A hexahedral grid with a number of 2 million cells was constructed for the chosen boiler model. A stationary problem with a two-phase flow was solved. The gaseous components are air, combustion products and volatile substances. The solid phase is coal particles at different burnup stages. The Euler-Lagrange approach was taken as a basis. Calculation of the coal particles trajectories was carried out using the Discrete Phase Model which distribution of the size particle of coal dust was accounted for using the Rosin-Rammler equation. Partially Premixed combustion model was used as the combustion model which take into account elemental composition of the fuel and heat analysis. To take turbulence into account, a two-parameter k-ε model with a standard wall function was chosen. Heat transfer by radiation was calculated using the P1-approximation of the method of spherical harmonics. The system of spatial equations was numerically solved by the control volume method using the SIMPLE algorithm of Patankar and Spaulding. Comparison of data obtained during the industrial-operational tests of low-emission vortex boilers with the results of mathematical modeling showed acceptable convergence of the tasks of this level, which confirms the adequacy of the realized mathematical model.

Using the Landlab toolkit to evaluate and compare alternative geomorphic and hydrologic model formulations

NASA Astrophysics Data System (ADS)

Tucker, G. E.; Adams, J. M.; Doty, S. G.; Gasparini, N. M.; Hill, M. C.; Hobley, D. E. J.; Hutton, E.; Istanbulluoglu, E.; Nudurupati, S. S.

2016-12-01

Developing a better understanding of catchment hydrology and geomorphology ideally involves quantitative hypothesis testing. Often one seeks to identify the simplest mathematical and/or computational model that accounts for the essential dynamics in the system of interest. Development of alternative hypotheses involves testing and comparing alternative formulations, but the process of comparison and evaluation is made challenging by the rigid nature of many computational models, which are often built around a single assumed set of equations. Here we review a software framework for two-dimensional computational modeling that facilitates the creation, testing, and comparison of surface-dynamics models. Landlab is essentially a Python-language software library. Its gridding module allows for easy generation of a structured (raster, hex) or unstructured (Voronoi-Delaunay) mesh, with the capability to attach data arrays to particular types of element. Landlab includes functions that implement common numerical operations, such as gradient calculation and summation of fluxes within grid cells. Landlab also includes a collection of process components, which are encapsulated pieces of software that implement a numerical calculation of a particular process. Examples include downslope flow routing over topography, shallow-water hydrodynamics, stream erosion, and sediment transport on hillslopes. Individual components share a common grid and data arrays, and they can be coupled through the use of a simple Python script. We illustrate Landlab's capabilities with a case study of Holocene landscape development in the northeastern US, in which we seek to identify a collection of model components that can account for the formation of a series of incised canyons that have that developed since the Laurentide ice sheet last retreated. We compare sets of model ingredients related to (1) catchment hydrologic response, (2) hillslope evolution, and (3) stream channel and gully incision. The case-study example demonstrates the value of exploring multiple working hypotheses, in the form of multiple alternative model components.

The strength study of the rotating device driver indexing spatial mechanism

NASA Astrophysics Data System (ADS)

Zakharenkov, N. V.; Kvasov, I. N.

2018-04-01

The indexing spatial mechanisms are widely used in automatic machines. The mechanisms maximum load-bearing capacity measurement is possible based on both the physical and numerical models tests results. The paper deals with the driven disk indexing spatial cam mechanism numerical model at the constant angular cam velocity. The presented mechanism kinematics and geometry parameters and finite element model are analyzed in the SolidWorks design environment. The calculation initial data and missing parameters having been found from the structure analysis were identified. The structure and kinematics analysis revealed the mechanism failures possible reasons. The numerical calculations results showing the structure performance at the contact and bending stresses are represented.

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

PubMed Central

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

2014-01-01

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

Characterization of anisotropically shaped silver nanoparticle arrays via spectroscopic ellipsometry supported by numerical optical modeling

NASA Astrophysics Data System (ADS)

Gkogkou, Dimitra; Shaykhutdinov, Timur; Oates, Thomas W. H.; Gernert, Ulrich; Schreiber, Benjamin; Facsko, Stefan; Hildebrandt, Peter; Weidinger, Inez M.; Esser, Norbert; Hinrichs, Karsten

2017-11-01

The present investigation aims to study the optical response of anisotropic Ag nanoparticle arrays deposited on rippled silicon substrates by performing a qualitative comparison between experimental and theoretical results. Spectroscopic ellipsometry was used along with numerical calculations using finite-difference time-domain (FDTD) method and rigorous coupled wave analysis (RCWA) to reveal trends in the optical and geometrical properties of the nanoparticle array. Ellipsometric data show two resonances, in the orthogonal x and y directions, that originate from localized plasmon resonances as demonstrated by the calculated near-fields from FDTD calculations. The far-field calculations by RCWA point to decoupled resonances in x direction and possible coupling effects in y direction, corresponding to the short and long axis of the anisotropic nanoparticles, respectively.

Probabilistic arithmetic automata and their applications.

PubMed

Marschall, Tobias; Herms, Inke; Kaltenbach, Hans-Michael; Rahmann, Sven

2012-01-01

We present a comprehensive review on probabilistic arithmetic automata (PAAs), a general model to describe chains of operations whose operands depend on chance, along with two algorithms to numerically compute the distribution of the results of such probabilistic calculations. PAAs provide a unifying framework to approach many problems arising in computational biology and elsewhere. We present five different applications, namely 1) pattern matching statistics on random texts, including the computation of the distribution of occurrence counts, waiting times, and clump sizes under hidden Markov background models; 2) exact analysis of window-based pattern matching algorithms; 3) sensitivity of filtration seeds used to detect candidate sequence alignments; 4) length and mass statistics of peptide fragments resulting from enzymatic cleavage reactions; and 5) read length statistics of 454 and IonTorrent sequencing reads. The diversity of these applications indicates the flexibility and unifying character of the presented framework. While the construction of a PAA depends on the particular application, we single out a frequently applicable construction method: We introduce deterministic arithmetic automata (DAAs) to model deterministic calculations on sequences, and demonstrate how to construct a PAA from a given DAA and a finite-memory random text model. This procedure is used for all five discussed applications and greatly simplifies the construction of PAAs. Implementations are available as part of the MoSDi package. Its application programming interface facilitates the rapid development of new applications based on the PAA framework.

Granger causality for state-space models

NASA Astrophysics Data System (ADS)

Barnett, Lionel; Seth, Anil K.

2015-04-01

Granger causality has long been a prominent method for inferring causal interactions between stochastic variables for a broad range of complex physical systems. However, it has been recognized that a moving average (MA) component in the data presents a serious confound to Granger causal analysis, as routinely performed via autoregressive (AR) modeling. We solve this problem by demonstrating that Granger causality may be calculated simply and efficiently from the parameters of a state-space (SS) model. Since SS models are equivalent to autoregressive moving average models, Granger causality estimated in this fashion is not degraded by the presence of a MA component. This is of particular significance when the data has been filtered, downsampled, observed with noise, or is a subprocess of a higher dimensional process, since all of these operations—commonplace in application domains as diverse as climate science, econometrics, and the neurosciences—induce a MA component. We show how Granger causality, conditional and unconditional, in both time and frequency domains, may be calculated directly from SS model parameters via solution of a discrete algebraic Riccati equation. Numerical simulations demonstrate that Granger causality estimators thus derived have greater statistical power and smaller bias than AR estimators. We also discuss how the SS approach facilitates relaxation of the assumptions of linearity, stationarity, and homoscedasticity underlying current AR methods, thus opening up potentially significant new areas of research in Granger causal analysis.

Using multi-criteria decision making for selection of the optimal strategy for municipal solid waste management.

PubMed

Jovanovic, Sasa; Savic, Slobodan; Jovicic, Nebojsa; Boskovic, Goran; Djordjevic, Zorica

2016-09-01

Multi-criteria decision making (MCDM) is a relatively new tool for decision makers who deal with numerous and often contradictory factors during their decision making process. This paper presents a procedure to choose the optimal municipal solid waste (MSW) management system for the area of the city of Kragujevac (Republic of Serbia) based on the MCDM method. Two methods of multiple attribute decision making, i.e. SAW (simple additive weighting method) and TOPSIS (technique for order preference by similarity to ideal solution), respectively, were used to compare the proposed waste management strategies (WMS). Each of the created strategies was simulated using the software package IWM2. Total values for eight chosen parameters were calculated for all the strategies. Contribution of each of the six waste treatment options was valorized. The SAW analysis was used to obtain the sum characteristics for all the waste management treatment strategies and they were ranked accordingly. The TOPSIS method was used to calculate the relative closeness factors to the ideal solution for all the alternatives. Then, the proposed strategies were ranked in form of tables and diagrams obtained based on both MCDM methods. As shown in this paper, the results were in good agreement, which additionally confirmed and facilitated the choice of the optimal MSW management strategy. © The Author(s) 2016.

Dynamical Model Calculations of AGB Star Winds Including Time Dependent Dust Formation and Non-LTE Radiative Cooling

NASA Astrophysics Data System (ADS)

Schirrmacher, V.; Woitke, P.; Sedlmayr, E.

Stars on the Asymptotic Giant Branch (AGB) are pulsating objects in a late evolutionary stage. The stellar pulsation creates sound waves which steepen up to shock waves in the upper atmosphere and lead to a time dependent levitation of the outer atmosphere. Thereby, the stellar pulsation triggers and facilitates the formation of dust close to the star. The dust is accelerated by radiation pressure and drags the gas outwards due to frictional forces which is identified to provide the basic mass loss mechanism. A longstanding problem concerning the modelling of these physical processes is the influence of the propagating shock waves on the temperature structure of the wind, which strongly influences the dust formation. We have therefore improved our numerical models of AGB-star envelopes by including (i) a detailed calculation of non-LTE radiative heating and cooling rates, predominantly arising from atomic and molecular lines and (ii) atomic and molecular exitation aswell as ionisation and dissociation in the equation of state. First results, presented here, show that the cooling time scales behind the shock waves are usually rather short, but the binding energies of molecular hydrogen provide an important energy buffer capable to delay the radiative heating or cooling. Thus considerable deviations from radiative equilibrium may occur in the important inner dust forming layers.

Theory verification and numerical benchmarking on neoclassical toroidal viscosity

NASA Astrophysics Data System (ADS)

Wang, Z. R.; Park, J.-K.; Liu, Y. Q.; Logan, N. C.; Menard, J. E.

2013-10-01

Systematic verification and numerical benchmarking has been successfully carried out among three different approaches of neoclassical toroidal viscosity (NTV) theory and the corresponding codes: IPEC-PENT is developed based on the combined NTV theory but without geometric simplifications; MARS-K originally calculating the kinetic energy is upgraded to calculate the NTV torque based on the equivalence between kinetic energy and NTV torque; MARS-Q includes smoothly connected NTV formula. The derivation and numerical results both indicate that the imaginary part of kinetic energy calculated by MARS-K is equivalent to the NTV torque in IPEC-PENT. In the benchmark of precession resonance between MARS-Q and MARS-K/IPEC-PENT, it is first time to show the agreement and the correlation between the connected NTV formula and the combined NTV theory in different collisional region. Additionally, both IPEC-PENT and MARS-K indicates the importance of the bounce harmonic resonance which could greatly enhance the NTV torque when E cross B drift frequency reaches the bounce resonance condition. Since MARS-K also has the capability to calculate the plasma response including the kinetic effect self-consistently, the self-consistent NTV torque calculations have also been tested. This work is supported by DOE Contract No. DE-AC02-09CH11466.

Numerical solution of the unsteady diffusion-convection-reaction equation based on improved spectral Galerkin method

NASA Astrophysics Data System (ADS)

Zhong, Jiaqi; Zeng, Cheng; Yuan, Yupeng; Zhang, Yuzhe; Zhang, Ye

2018-04-01

The aim of this paper is to present an explicit numerical algorithm based on improved spectral Galerkin method for solving the unsteady diffusion-convection-reaction equation. The principal characteristics of this approach give the explicit eigenvalues and eigenvectors based on the time-space separation method and boundary condition analysis. With the help of Fourier series and Galerkin truncation, we can obtain the finite-dimensional ordinary differential equations which facilitate the system analysis and controller design. By comparing with the finite element method, the numerical solutions are demonstrated via two examples. It is shown that the proposed method is effective.

Geotechnical LFRD calculations of settlement and bearing capacity of GDOT shallow bridge foundations and retaining walls.

DOT National Transportation Integrated Search

2016-08-09

The AASHTO codes for Load Resistance Factored Design (LRFD) regarding shallow bridge foundations : and walls have been implemented into a set of spreadsheet algorithms to facilitate the calculations of bearing : capacity and footing settlements on na...

Numerical modeling of oil shale fragmentation experiments

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

Kuszmaul, J.S.

The economic development of modified in situ oil shale retorting will benefit from the ability to design a blasting scheme that creates a rubble bed of uniform permeability. Preparing such a design depends upon successfully predicting how a given explosive charge and firing sequence will fracture the oil shale. Numerical models are used to predict the extent of damage caused by a particular explosive charge. Recent single-blastwell cratering tests provided experimental measurements of the extent of damage induced by an explosion. Measuring rock damage involved crater excavation, rubble screening, crater elevation surveys, and posttest extraction of cores. These measurements weremore » compared to the damage calculated by the numerical model. Core analyses showed that the damage varied greatly from layer to layer. The numerical results also show this effect, indicating that rock damage is highly dependent on oil shale grade. The computer simulation also calculated particle velocities and dynamic stress amplitudes in the rock; predicted values agree with experimental measurements. Calculated rock fragmentation compared favorably with fragmentation measured by crater excavation and by core analysis. Because coring provides direct inspection of rock fragmentation, the use of posttest coring in future experiments is recommended.« less

Semiclassical description of hyperfine interaction in calculating chemically induced dynamic nuclear polarization in weak magnetic fields

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

Purtov, P.A.; Salikhov, K.M.

1987-09-01

Semiclassical HFI description is applicable to calculating the integral CIDNP effect in weak fields. The HFI has been calculated for radicals with sufficiently numerous magnetically equivalent nuclei (n greater than or equal to 5) in satisfactory agreement with CIDNP calculations based on quantum-mechanical description of radical-pair spin dynamics.

TURNS - A free-wake Euler/Navier-Stokes numerical method for helicopter rotors

NASA Technical Reports Server (NTRS)

Srinivasan, G. R.; Baeder, J. D.

1993-01-01

Computational capabilities of a numerical procedure, called TURNS (transonic unsteady rotor Navier-Stokes), to calculate the aerodynamics and acoustics (high-speed impulsive noise) out to several rotor diameters are summarized. The procedure makes it possible to obtain the aerodynamics and acoustics information in one single calculation. The vortical wave and its influence, as well as the acoustics, are captured as part of the overall flowfield solution. The accuracy and suitability of the TURNS method is demonstrated through comparisons with experimental data.

Surface electrical properties experiment. Part 2: Theory of radio-frequency interferometry in geophysical subsurface probing

NASA Technical Reports Server (NTRS)

Kong, J. A.; Tsang, L.

1974-01-01

The radiation fields due to a horizontal electric dipole laid on the surface of a stratified medium were calculated using a geometrical optics approximation, a modal approach, and direct numerical integration. The solutions were obtained from the reflection coefficient formulation and written in integral forms. The calculated interference patterns are compared in terms of the usefulness of the methods used to obtain them. Scattering effects are also discussed and all numerical results for anisotropic and isotropic cases are presented.

International Symposium on Stratified Flows (4th) Held in Grenoble, France on June 29-July 2, 1994. Volume 4

DTIC Science & Technology

1994-10-10

covered in a rudimentary way. One of the missing topics is the practice to use existing stratification in natural water bodies to interleave sewage water...hydrodynamics and heat exchange at the natural convection m ilhe laboratory basin the flow field is calculated numerically using the variables ($W). 2...hydrodynanics and heat exchange at the natural convection in the laboratory basin the flow field is calculated numerically using the variables (V, ,)- 2

Journal of Aeronautics.

DTIC Science & Technology

1982-07-21

aerodynamic tool for design of elastic aircraft. Several numerical examples are given and some dynamical problems of elastic aircraft are also discussed...Qiangang, Wu Changlin, Jian Zheng Northwestern Polytechnical University Abstract: A numerical metbod,6* ted for predicting the aerodynamic characte- ristics... Numerical value calculation method is one important means of the present research on elastic aircraft pneumatic characteristics. Be- cause this

Numerical compliance testing of human exposure to electromagnetic radiation from smart-watches.

PubMed

Hong, Seon-Eui; Lee, Ae-Kyoung; Kwon, Jong-Hwa; Pack, Jeong-Ki

2016-10-07

In this study, we investigated the electromagnetic dosimetry for smart-watches. At present, the standard for compliance testing of body-mounted and handheld devices specifies the use of a flat phantom to provide conservative estimates of the peak spatial-averaged specific absorption rate (SAR). This means that the estimated SAR using a flat phantom should be higher than the SAR in the exposure part of an anatomical human-body model. To verify this, we numerically calculated the SAR for a flat phantom and compared it with the numerical calculation of the SAR for four anatomical human-body models of different ages. The numerical analysis was performed using the finite difference time domain method (FDTD). The smart-watch models were used in the three antennas: the shorted planar inverted-F antenna (PIFA), loop antenna, and monopole antenna. Numerical smart-watch models were implemented for cellular commutation and wireless local-area network operation at 835, 1850, and 2450 MHz. The peak spatial-averaged SARs of the smart-watch models are calculated for the flat phantom and anatomical human-body model for the wrist-worn and next to mouth positions. The results show that the flat phantom does not provide a consistent conservative SAR estimate. We concluded that the difference in the SAR results between an anatomical human-body model and a flat phantom can be attributed to the different phantom shapes and tissue structures.

Numerical compliance testing of human exposure to electromagnetic radiation from smart-watches

NASA Astrophysics Data System (ADS)

Hong, Seon-Eui; Lee, Ae-Kyoung; Kwon, Jong-Hwa; Pack, Jeong-Ki

2016-10-01

In this study, we investigated the electromagnetic dosimetry for smart-watches. At present, the standard for compliance testing of body-mounted and handheld devices specifies the use of a flat phantom to provide conservative estimates of the peak spatial-averaged specific absorption rate (SAR). This means that the estimated SAR using a flat phantom should be higher than the SAR in the exposure part of an anatomical human-body model. To verify this, we numerically calculated the SAR for a flat phantom and compared it with the numerical calculation of the SAR for four anatomical human-body models of different ages. The numerical analysis was performed using the finite difference time domain method (FDTD). The smart-watch models were used in the three antennas: the shorted planar inverted-F antenna (PIFA), loop antenna, and monopole antenna. Numerical smart-watch models were implemented for cellular commutation and wireless local-area network operation at 835, 1850, and 2450 MHz. The peak spatial-averaged SARs of the smart-watch models are calculated for the flat phantom and anatomical human-body model for the wrist-worn and next to mouth positions. The results show that the flat phantom does not provide a consistent conservative SAR estimate. We concluded that the difference in the SAR results between an anatomical human-body model and a flat phantom can be attributed to the different phantom shapes and tissue structures.

Calculation of the hull and of the car-suspension systems of airships

NASA Technical Reports Server (NTRS)

Verduzio, R

1924-01-01

Differential and integral curves are presented and well as numerous calculations relating to hulls. Some of the calculations include those relating to hulls, those relating to the invariability of the shape of the hulls, and those relating to the suspension of the hull.

The technique of numerical research of cooling medium flow in the water jacket of self-lubricated bearing

NASA Astrophysics Data System (ADS)

Raikovskiy, N. A.; Tretyakov, A. V.; Abramov, S. A.; Nazmeev, F. G.; Pavlichev, S. V.

2017-08-01

The paper presents a numerical study method of the cooling medium flowing in the water jacket of self-lubricating sliding bearing based on ANSYS CFX. The results of numerical calculations have satisfactory convergence with the empirical data obtained on the testbed. Verification data confirm the possibility of applying this numerical technique for the analysis of coolant flowings in the self-lubricating bearing containing the water jacket.

The development and application of CFD technology in mechanical engineering

NASA Astrophysics Data System (ADS)

Wei, Yufeng

2017-12-01

Computational Fluid Dynamics (CFD) is an analysis of the physical phenomena involved in fluid flow and heat conduction by computer numerical calculation and graphical display. The numerical method simulates the complexity of the physical problem and the precision of the numerical solution, which is directly related to the hardware speed of the computer and the hardware such as memory. With the continuous improvement of computer performance and CFD technology, it has been widely applied to the field of water conservancy engineering, environmental engineering and industrial engineering. This paper summarizes the development process of CFD, the theoretical basis, the governing equations of fluid mechanics, and introduces the various methods of numerical calculation and the related development of CFD technology. Finally, CFD technology in the mechanical engineering related applications are summarized. It is hoped that this review will help researchers in the field of mechanical engineering.

Contribution of the Recent AUSM Schemes to the Overflow Code: Implementation and Validation

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Buning, Pieter G.

2000-01-01

We shall present results of a recent collaborative effort between the authors attempting to implement the numerical flux scheme, AUSM+ and its new developments, into a widely used NASA code, OVERFLOW. This paper is intended to give a thorough and systematic documentation about the solutions of default test cases using the AUSNI+ scheme. Hence we will address various aspects of numerical solutions, such as accuracy, convergence rate, and effects of turbulence models, over a variety of geometries, speed regimes. We will briefly describe the numerical schemes employed in the calculations, including the capability of solving for low-speed flows and multiphase flows by employing the concept of numerical speed of sound. As a bonus, this low Mach number formulations also enhances convergence to steady solutions for flows even at transonic speed. Calculations for complex 3D turbulent flows were performed with several turbulence models and the results display excellent agreements with measured data.

Large Eddy simulation of compressible flows with a low-numerical dissipation patch-based adaptive mesh refinement method

NASA Astrophysics Data System (ADS)

Pantano, Carlos

2005-11-01

We describe a hybrid finite difference method for large-eddy simulation (LES) of compressible flows with a low-numerical dissipation scheme and structured adaptive mesh refinement (SAMR). Numerical experiments and validation calculations are presented including a turbulent jet and the strongly shock-driven mixing of a Richtmyer-Meshkov instability. The approach is a conservative flux-based SAMR formulation and as such, it utilizes refinement to computational advantage. The numerical method for the resolved scale terms encompasses the cases of scheme alternation and internal mesh interfaces resulting from SAMR. An explicit centered scheme that is consistent with a skew-symmetric finite difference formulation is used in turbulent flow regions while a weighted essentially non-oscillatory (WENO) scheme is employed to capture shocks. The subgrid stresses and transports are calculated by means of the streched-vortex model, Misra & Pullin (1997)

A Numerical Study of Automated Dynamic Relaxation for Nonlinear Static Tensioned Structures.

DTIC Science & Technology

1987-10-01

sytem f dscree fnit element equations, i.e., an algebraic system. The form of these equa- tions is the same for all nonlinear kinematic structures that...the first phase the solu- tion to the static, prestress configuration is sought. This phase is also referred to as form finding, shape finding, or the...does facilitate stability of the numerical solution. The system of equations, which is the focus of the solution methods presented, is formed by a

Stable and Spectrally Accurate Schemes for the Navier-Stokes Equations

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

Jia, Jun; Liu, Jie

2011-01-01

In this paper, we present an accurate, efficient and stable numerical method for the incompressible Navier-Stokes equations (NSEs). The method is based on (1) an equivalent pressure Poisson equation formulation of the NSE with proper pressure boundary conditions, which facilitates the design of high-order and stable numerical methods, and (2) the Krylov deferred correction (KDC) accelerated method of lines transpose (mbox MoL{sup T}), which is very stable, efficient, and of arbitrary order in time. Numerical tests with known exact solutions in three dimensions show that the new method is spectrally accurate in time, and a numerical order of convergence 9more » was observed. Two-dimensional computational results of flow past a cylinder and flow in a bifurcated tube are also reported.« less

Return to work in multi-ethnic breast cancer survivors--a qualitative inquiry.

PubMed

Tan, Foo Lan; Loh, Siew Yim; Su, Tin Tin; Veloo, V W; Ng, Lee Luan

2012-01-01

Return-to-work (RTW) can be a problematic occupational issue with detrimental impact on the quality of life of previously-employed breast cancer survivors. This study explored barriers and facilitators encountered during the RTW process in the area of cancer survivorship. Six focus groups were conducted using a semi-structured interview guide on 40 informants (employed multiethnic survivors). Survivors were stratified into three groups for successfully RTW, and another three groups of survivors who were unable to return to work. Each of the three groups was ethnically homogeneous. Thematic analysis using a constant comparative approach was aided by in vivo software. Participants shared numerous barriers and facilitators which directly or interactively affect RTW. Key barriers were physical-psychological after-effects of treatment, fear of potential environment hazards, high physical job demand, intrusive negative thoughts and overprotective family. Key facilitators were social support, employer support, and regard for financial independence. Across ethnic groups, the main facilitators were financial-independence (for Chinese), and socialisation opportunity (for Malay). A key barrier was after-effects of treatment, expressed across all ethnic groups. Numerous barriers were identified in the non-RTW survivors. Health professionals and especially occupational therapists should be consulted to assist the increasing survivors by providing occupational rehabilitation to enhance RTW amongst employed survivors. Future research to identify prognostic factors can guide clinical efforts to restore cancer survivors to their desired level/type of occupational functioning for productivity and wellbeing.

On the numerical calculation of hydrodynamic shock waves in atmospheres by an FCT method

NASA Astrophysics Data System (ADS)

Schmitz, F.; Fleck, B.

1993-11-01

The numerical calculation of vertically propagating hydrodynamic shock waves in a plane atmosphere by the ETBFCT-version of the Flux Corrected Transport (FCT) method by Boris and Book is discussed. The results are compared with results obtained by a characteristic method with shock fitting. We show that the use of the internal energy density as a dependent variable instead of the total energy density can give very inaccurate results. Consequent discretization rules for the gravitational source terms are derived. The improvement of the results by an additional iteration step is discussed. It appears that the FCT method is an excellent method for the accurate calculation of shock waves in an atmosphere.

Stresses in and general instability of monocoque cylinders with cutouts II : calculation of the stresses in a cylinder with a symmetric cutout

NASA Technical Reports Server (NTRS)

Hoff, N J; Boley, Bruno A; Klein, Bertram

1945-01-01

A numerical procedure is presented for the calculation of the stresses in a monocoque cylinder with a cutout. In the procedure the structure is broken up into a great many units; the forces in these units corresponding to specified distortions of the units are calculated; a set of linear equations is established expressing the equilibrium conditions of the units in the distorted state; and the simultaneous linear equations are solved. A fully worked out numerical example, corresponding to the application of a pure bending moment, gave results in good agreement with experiments carried out earlier at the Polytechnic Institute of Brooklyn.

Numerical Simulation of Measurements during the Reactor Physical Startup at Unit 3 of Rostov NPP

NASA Astrophysics Data System (ADS)

Tereshonok, V. A.; Kryakvin, L. V.; Pitilimov, V. A.; Karpov, S. A.; Kulikov, V. I.; Zhylmaganbetov, N. M.; Kavun, O. Yu.; Popykin, A. I.; Shevchenko, R. A.; Shevchenko, S. A.; Semenova, T. V.

2017-12-01

The results of numerical calculations and measurements of some reactor parameters during the physical startup tests at unit 3 of Rostov NPP are presented. The following parameters are considered: the critical boron acid concentration and the currents from ionization chambers (IC) during the scram system efficiency evaluation. The scram system efficiency was determined using the inverse point kinetics equation with the measured and simulated IC currents. The results of steady-state calculations of relative power distribution and efficiency of the scram system and separate groups of control rods of the control and protection system are also presented. The calculations are performed using several codes, including precision ones.

Improvements of the Ray-Tracing Based Method Calculating Hypocentral Loci for Earthquake Location

NASA Astrophysics Data System (ADS)

Zhao, A. H.

2014-12-01

Hypocentral loci are very useful to reliable and visual earthquake location. However, they can hardly be analytically expressed when the velocity model is complex. One of methods numerically calculating them is based on a minimum traveltime tree algorithm for tracing rays: a focal locus is represented in terms of ray paths in its residual field from the minimum point (namely initial point) to low residual points (referred as reference points of the focal locus). The method has no restrictions on the complexity of the velocity model but still lacks the ability of correctly dealing with multi-segment loci. Additionally, it is rather laborious to set calculation parameters for obtaining loci with satisfying completeness and fineness. In this study, we improve the ray-tracing based numerical method to overcome its advantages. (1) Reference points of a hypocentral locus are selected from nodes of the model cells that it goes through, by means of a so-called peeling method. (2) The calculation domain of a hypocentral locus is defined as such a low residual area that its connected regions each include one segment of the locus and hence all the focal locus segments are respectively calculated with the minimum traveltime tree algorithm for tracing rays by repeatedly assigning the minimum residual reference point among those that have not been traced as an initial point. (3) Short ray paths without branching are removed to make the calculated locus finer. Numerical tests show that the improved method becomes capable of efficiently calculating complete and fine hypocentral loci of earthquakes in a complex model.

Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitals.

PubMed

Viñes, Francesc; Illas, Francesc

2017-03-30

The atomic and electronic structure of stoichiometric and reduced ZnO wurtzite has been studied using a periodic relativistic all electron hybrid density functional (PBE0) approach and numeric atom-centered orbital basis set with quality equivalent to aug-cc-pVDZ. To assess the importance of relativistic effects, calculations were carried out without and with explicit inclusion of relativistic effects through the zero order regular approximation. The calculated band gap is ∼0.2 eV smaller than experiment, close to previous PBE0 results including relativistic calculation through the pseudopotential and ∼0.25 eV smaller than equivalent nonrelativistic all electron PBE0 calculations indicating possible sources of error in nonrelativistic all electron density functional calculations for systems containing elements with relatively high atomic number. The oxygen vacancy formation energy converges rather fast with the supercell size, the predicted value agrees with previously hybrid density functional calculations and analysis of the electronic structure evidences the presence of localized electrons at the vacancy site with a concomitant well localized peak in the density of states ∼0.5 eV above the top of the valence band and a significant relaxation of the Zn atoms near to the oxygen vacancy. Finally, present work shows that accurate results can be obtained in systems involving large supercells containing up to ∼450 atoms using a numeric atomic-centered orbital basis set within a full all electron description including scalar relativistic effects at an affordable cost. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

[Calculation of workers' health care costs].

PubMed

Rydlewska-Liszkowska, Izabela

2006-01-01

In different health care systems, there are different schemes of organization and principles of financing activities aimed at ensuring the working population health and safety. Regardless of the scheme and the range of health care provided, economists strive for rationalization of costs (including their reduction). This applies to both employers who include workers' health care costs into indirect costs of the market product manufacture and health care institutions, which provide health care services. In practice, new methods of setting costs of workers' health care facilitate regular cost control, acquisition of detailed information about costs, and better adjustment of information to planning and control needs in individual health care institutions. For economic institutions and institutions specialized in workers' health care, a traditional cost-effect calculation focused on setting costs of individual products (services) is useful only if costs are relatively low and the output of simple products is not very high. But when products form aggregates of numerous actions like those involved in occupational medicine services, the method of activity based costing (ABC), representing the process approach, is much more useful. According to this approach costs are attributed to the product according to resources used during different activities involved in its production. The calculation of costs proceeds through allocation of all direct costs for specific processes in a given institution. Indirect costs are settled on the basis of resources used during the implementation of individual tasks involved in the process of making a new product. In this method, so called map of processes/actions consisted in the manufactured product and their interrelations are of particular importance. Advancements in the cost-effect for the management of health care institutions depend on their managerial needs. Current trends in this regard primarily depend on treating all cost reference subjects as cost objects and taking account of all their interrelations. Final products, specific assignments, resources and activities may all be regarded as cost objects. The ABC method is characterized by a very high informative value in terms of setting prices of products in the area of workers' health care. It also facilitates the assessment of costs of individual activities under a multidisciplinary approach to health care and the setting costs of varied products. The ABC method provides precise data on the consumption of resources, such as human labor or various materials.

Memory Updating and Mental Arithmetic

PubMed Central

Han, Cheng-Ching; Yang, Tsung-Han; Lin, Chia-Yuan; Yen, Nai-Shing

2016-01-01

Is domain-general memory updating ability predictive of calculation skills or are such skills better predicted by the capacity for updating specifically numerical information? Here, we used multidigit mental multiplication (MMM) as a measure for calculating skill as this operation requires the accurate maintenance and updating of information in addition to skills needed for arithmetic more generally. In Experiment 1, we found that only individual differences with regard to a task updating numerical information following addition (MUcalc) could predict the performance of MMM, perhaps owing to common elements between the task and MMM. In Experiment 2, new updating tasks were designed to clarify this: a spatial updating task with no numbers, a numerical task with no calculation, and a word task. The results showed that both MUcalc and the spatial task were able to predict the performance of MMM but only with the more difficult problems, while other updating tasks did not predict performance. It is concluded that relevant processes involved in updating the contents of working memory support mental arithmetic in adults. PMID:26869971

Analytic Method for Computing Instrument Pointing Jitter

NASA Technical Reports Server (NTRS)

Bayard, David

2003-01-01

A new method of calculating the root-mean-square (rms) pointing jitter of a scientific instrument (e.g., a camera, radar antenna, or telescope) is introduced based on a state-space concept. In comparison with the prior method of calculating the rms pointing jitter, the present method involves significantly less computation. The rms pointing jitter of an instrument (the square root of the jitter variance shown in the figure) is an important physical quantity which impacts the design of the instrument, its actuators, controls, sensory components, and sensor- output-sampling circuitry. Using the Sirlin, San Martin, and Lucke definition of pointing jitter, the prior method of computing the rms pointing jitter involves a frequency-domain integral of a rational polynomial multiplied by a transcendental weighting function, necessitating the use of numerical-integration techniques. In practice, numerical integration complicates the problem of calculating the rms pointing error. In contrast, the state-space method provides exact analytic expressions that can be evaluated without numerical integration.

Calculations of separated 3-D flows with a pressure-staggered Navier-Stokes equations solver

NASA Technical Reports Server (NTRS)

Kim, S.-W.

1991-01-01

A Navier-Stokes equations solver based on a pressure correction method with a pressure-staggered mesh and calculations of separated three-dimensional flows are presented. It is shown that the velocity pressure decoupling, which occurs when various pressure correction algorithms are used for pressure-staggered meshes, is caused by the ill-conditioned discrete pressure correction equation. The use of a partial differential equation for the incremental pressure eliminates the velocity pressure decoupling mechanism by itself and yields accurate numerical results. Example flows considered are a three-dimensional lid driven cavity flow and a laminar flow through a 90 degree bend square duct. For the lid driven cavity flow, the present numerical results compare more favorably with the measured data than those obtained using a formally third order accurate quadratic upwind interpolation scheme. For the curved duct flow, the present numerical method yields a grid independent solution with a very small number of grid points. The calculated velocity profiles are in good agreement with the measured data.

Massive parallel 3D PIC simulation of negative ion extraction

NASA Astrophysics Data System (ADS)

Revel, Adrien; Mochalskyy, Serhiy; Montellano, Ivar Mauricio; Wünderlich, Dirk; Fantz, Ursel; Minea, Tiberiu

2017-09-01

The 3D PIC-MCC code ONIX is dedicated to modeling Negative hydrogen/deuterium Ion (NI) extraction and co-extraction of electrons from radio-frequency driven, low pressure plasma sources. It provides valuable insight on the complex phenomena involved in the extraction process. In previous calculations, a mesh size larger than the Debye length was used, implying numerical electron heating. Important steps have been achieved in terms of computation performance and parallelization efficiency allowing successful massive parallel calculations (4096 cores), imperative to resolve the Debye length. In addition, the numerical algorithms have been improved in terms of grid treatment, i.e., the electric field near the complex geometry boundaries (plasma grid) is calculated more accurately. The revised model preserves the full 3D treatment, but can take advantage of a highly refined mesh. ONIX was used to investigate the role of the mesh size, the re-injection scheme for lost particles (extracted or wall absorbed), and the electron thermalization process on the calculated extracted current and plasma characteristics. It is demonstrated that all numerical schemes give the same NI current distribution for extracted ions. Concerning the electrons, the pair-injection technique is found well-adapted to simulate the sheath in front of the plasma grid.

Nonuniform fast Fourier transform method for numerical diffraction simulation on tilted planes.

PubMed

Xiao, Yu; Tang, Xiahui; Qin, Yingxiong; Peng, Hao; Wang, Wei; Zhong, Lijing

2016-10-01

The method, based on the rotation of the angular spectrum in the frequency domain, is generally used for the diffraction simulation between the tilted planes. Due to the rotation of the angular spectrum, the interval between the sampling points in the Fourier domain is not even. For the conventional fast Fourier transform (FFT)-based methods, a spectrum interpolation is needed to get the approximate sampling value on the equidistant sampling points. However, due to the numerical error caused by the spectrum interpolation, the calculation accuracy degrades very quickly as the rotation angle increases. Here, the diffraction propagation between the tilted planes is transformed into a problem about the discrete Fourier transform on the uneven sampling points, which can be evaluated effectively and precisely through the nonuniform fast Fourier transform method (NUFFT). The most important advantage of this method is that the conventional spectrum interpolation is avoided and the high calculation accuracy can be guaranteed for different rotation angles, even when the rotation angle is close to π/2. Also, its calculation efficiency is comparable with that of the conventional FFT-based methods. Numerical examples as well as a discussion about the calculation accuracy and the sampling method are presented.

Whose statistical reasoning is facilitated by a causal structure intervention?

PubMed

McNair, Simon; Feeney, Aidan

2015-02-01

People often struggle when making Bayesian probabilistic estimates on the basis of competing sources of statistical evidence. Recently, Krynski and Tenenbaum (Journal of Experimental Psychology: General, 136, 430-450, 2007) proposed that a causal Bayesian framework accounts for peoples' errors in Bayesian reasoning and showed that, by clarifying the causal relations among the pieces of evidence, judgments on a classic statistical reasoning problem could be significantly improved. We aimed to understand whose statistical reasoning is facilitated by the causal structure intervention. In Experiment 1, although we observed causal facilitation effects overall, the effect was confined to participants high in numeracy. We did not find an overall facilitation effect in Experiment 2 but did replicate the earlier interaction between numerical ability and the presence or absence of causal content. This effect held when we controlled for general cognitive ability and thinking disposition. Our results suggest that clarifying causal structure facilitates Bayesian judgments, but only for participants with sufficient understanding of basic concepts in probability and statistics.

Stability Test for Transient-Temperature Calculations

NASA Technical Reports Server (NTRS)

Campbell, W.

1984-01-01

Graphical test helps assure numerical stability of calculations of transient temperature or diffusion in composite medium. Rectangular grid forms basis of two-dimensional finite-difference model for heat conduction or other diffusion like phenomena. Model enables calculation of transient heat transfer among up to four different materials that meet at grid point.

A Comparison of Numerical Problem Solving under Three Types of Calculation Conditions.

ERIC Educational Resources Information Center

Roberts, Dennis M.; Glynn, Shawn M.

1978-01-01

The study reported is the first in a series of investigations designed to empirically test the hypothesis that calculators reduce quantitative working time and increase computational accuracy, and to examine the relative magnitude of benefit that accompanies utilizing calculators compared to manual work. (MN)

2D Analytical Model for the Directivity Prediction of Ultrasonic Contact Type Transducers in the Generation of Guided Waves.

PubMed

Tiwari, Kumar Anubhav; Raisutis, Renaldas; Mazeika, Liudas; Samaitis, Vykintas

2018-03-26

In this paper, a novel 2D analytical model based on the Huygens's principle of wave propagation is proposed in order to predict the directivity patterns of contact type ultrasonic transducers in the generation of guided waves (GWs). The developed model is able to estimate the directivity patterns at any distance, at any excitation frequency and for any configuration and shape of the transducers with prior information of phase dispersive characteristics of the guided wave modes and the behavior of transducer. This, in turn, facilitates to choose the appropriate transducer or arrays of transducers, suitable guided wave modes and excitation frequency for the nondestructive testing (NDT) and structural health monitoring (SHM) applications. The model is demonstrated for P1-type macro-fiber composite (MFC) transducer glued on a 2 mm thick aluminum (Al) alloy plate. The directivity patterns of MFC transducer in the generation of fundamental guided Lamb modes (the S0 and A0) and shear horizontal mode (the SH0) are successfully obtained at 80 kHz, 5-period excitation signal. The results are verified using 3D finite element (FE) modelling and experimental investigation. The results obtained using the proposed model shows the good agreement with those obtained using numerical simulations and experimental analysis. The calculation time using the analytical model was significantly shorter as compared to the time spent in experimental analysis and FE numerical modelling.

Empirical measurement and model validation of infrared spectra of contaminated surfaces

NASA Astrophysics Data System (ADS)

Archer, Sean; Gartley, Michael; Kerekes, John; Cosofret, Bogdon; Giblin, Jay

2015-05-01

Liquid-contaminated surfaces generally require more sophisticated radiometric modeling to numerically describe surface properties. The Digital Imaging and Remote Sensing Image Generation (DIRSIG) Model utilizes radiative transfer modeling to generate synthetic imagery. Within DIRSIG, a micro-scale surface property model (microDIRSIG) was used to calculate numerical bidirectional reflectance distribution functions (BRDF) of geometric surfaces with applied concentrations of liquid contamination. Simple cases where the liquid contamination was well described by optical constants on optically at surfaces were first analytically evaluated by ray tracing and modeled within microDIRSIG. More complex combinations of surface geometry and contaminant application were then incorporated into the micro-scale model. The computed microDIRSIG BRDF outputs were used to describe surface material properties in the encompassing DIRSIG simulation. These DIRSIG generated outputs were validated with empirical measurements obtained from a Design and Prototypes (D&P) Model 102 FTIR spectrometer. Infrared spectra from the synthetic imagery and the empirical measurements were iteratively compared to identify quantitative spectral similarity between the measured data and modeled outputs. Several spectral angles between the predicted and measured emissivities differed by less than 1 degree. Synthetic radiance spectra produced from the microDIRSIG/DIRSIG combination had a RMS error of 0.21-0.81 watts/(m2-sr-μm) when compared to the D&P measurements. Results from this comparison will facilitate improved methods for identifying spectral features and detecting liquid contamination on a variety of natural surfaces.

Pretest Predictions for Ventilation Tests

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

Y. Sun; H. Yang; H.N. Kalia

The objective of this calculation is to predict the temperatures of the ventilating air, waste package surface, concrete pipe walls, and insulation that will be developed during the ventilation tests involving various test conditions. The results will be used as input to the following three areas: (1) Decisions regarding testing set-up and performance. (2) Assessing how best to scale the test phenomena measured. (3) Validating numerical approach for modeling continuous ventilation. The scope of the calculation is to identify the physical mechanisms and parameters related to thermal response in the ventilation tests, and develop and describe numerical methods that canmore » be used to calculate the effects of continuous ventilation. Sensitivity studies to assess the impact of variation of linear power densities (linear heat loads) and ventilation air flow rates are included. The calculation is limited to thermal effect only.« less

Calculated Low-Speed Steady and Time-Dependent Aerodynamic Derivatives for Several Different Wings Using a Discrete Vortex Method

NASA Technical Reports Server (NTRS)

Riley, Donald R.

2016-01-01

Calculated numerical values for some aerodynamic terms and stability Derivatives for several different wings in unseparated inviscid incompressible flow were made using a discrete vortex method involving a limited number of horseshoe vortices. Both longitudinal and lateral-directional derivatives were calculated for steady conditions as well as for sinusoidal oscillatory motions. Variables included the number of vortices used and the rotation axis/moment center chordwise location. Frequencies considered were limited to the range of interest to vehicle dynamic stability (kb <.24 ). Comparisons of some calculated numerical results with experimental wind-tunnel measurements were in reasonable agreement in the low angle-of-attack range considering the differences existing between the mathematical representation and experimental wind-tunnel models tested. Of particular interest was the presence of induced drag for the oscillatory condition.

Calculated Low-Speed Steady and Time-Dependent Aerodynamic Derivatives for Some Airfoils Using a Discrete Vortex Method

NASA Technical Reports Server (NTRS)

Riley, Donald R.

2015-01-01

This paper contains a collection of some results of four individual studies presenting calculated numerical values for airfoil aerodynamic stability derivatives in unseparated inviscid incompressible flow due separately to angle-of-attack, pitch rate, flap deflection, and airfoil camber using a discrete vortex method. Both steady conditions and oscillatory motion were considered. Variables include the number of vortices representing the airfoil, the pitch axis / moment center chordwise location, flap chord to airfoil chord ratio, and circular or parabolic arc camber. Comparisons with some experimental and other theoretical information are included. The calculated aerodynamic numerical results obtained using a limited number of vortices provided in each study compared favorably with thin airfoil theory predictions. Of particular interest are those aerodynamic results calculated herein (such as induced drag) that are not readily available elsewhere.

Exploring Academic Performance: Looking beyond Numerical Grades

ERIC Educational Resources Information Center

Martin Sanz, Noemy; Rodrigo, Inés G.; Izquierdo García, Cristina; Ajenjo Pastrana, Patricia

2017-01-01

Academic performance has always been associated to the evaluation tests results, which are those corresponding to student's IQ, and leaving aside other personal characteristics. Among such characteristics, the importance of emotional intelligence is worth highlighting (management, facilitation, understanding and perception), dimensions associated…

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

Li, C.; Yu, G.; Wang, K.

The physical designs of the new concept reactors which have complex structure, various materials and neutronic energy spectrum, have greatly improved the requirements to the calculation methods and the corresponding computing hardware. Along with the widely used parallel algorithm, heterogeneous platforms architecture has been introduced into numerical computations in reactor physics. Because of the natural parallel characteristics, the CPU-FPGA architecture is often used to accelerate numerical computation. This paper studies the application and features of this kind of heterogeneous platforms used in numerical calculation of reactor physics through practical examples. After the designed neutron diffusion module based on CPU-FPGA architecturemore » achieves a 11.2 speed up factor, it is proved to be feasible to apply this kind of heterogeneous platform into reactor physics. (authors)« less

Effects of non-homogeneous flow on ADCP data processing in a hydroturbine forebay

DOE PAGES

Harding, S. F.; Richmond, M. C.; Romero-Gomez, P.; ...

2016-01-02

Accurate modeling of the velocity field in the forebay of a hydroelectric power station is important for both power generation and fish passage, and is able to be increasingly well represented by computational fluid dynamics (CFD) simulations. Acoustic Doppler Current Profiler (ADCP) are investigated herein as a method of validating the numerical flow solutions, particularly in observed and calculated regions of non-homogeneous flow velocity. By using a numerical model of an ADCP operating in a velocity field calculated using CFD, the errors due to the spatial variation of the flow velocity are quantified. Furthermore, the numerical model of the ADCPmore » is referred to herein as a Virtual ADCP (VADCP).« less

The liquid fuel jet in subsonic crossflow

NASA Technical Reports Server (NTRS)

Nguyen, T. T.; Karagozian, A. R.

1990-01-01

An analytical/numerical model is described which predicts the behavior of nonreacting and reacting liquid jets injected transversely into subsonic cross flow. The compressible flowfield about the elliptical jet cross section is solved at various locations along the jet trajectory by analytical means for free-stream local Mach number perpendicular to jet cross section smaller than 0.3 and by numerical means for free-stream local Mach number perpendicular to jet cross section in the range 0.3-1.0. External and internal boundary layers along the jet cross section are solved by integral and numerical methods, and the mass losses due to boundary layer shedding, evaporation, and combustion are calculated and incorporated into the trajectory calculation. Comparison of predicted trajectories is made with limited experimental observations.

Numerical Investigations of High Pressure Acoustic Waves in Resonators

NASA Technical Reports Server (NTRS)

Athavale, Mahesh; Pindera, Maciej; Daniels, Christopher C.; Steinetz, Bruce M.

2004-01-01

This presentation presents work on numerical investigations of nonlinear acoustic phenomena in resonators that can generate high-pressure waves using acoustic forcing of the flow. Time-accurate simulations of the flow in a closed cone resonator were performed at different oscillation frequencies and amplitudes, and the numerical results for the resonance frequency and fluid pressure increase match the GRC experimental data well. Work on cone resonator assembly simulations has started and will involve calculations of the flow through the resonator assembly with and without acoustic excitation. A new technique for direct calculation of resonance frequency of complex shaped resonators is also being investigated. Script-driven command procedures will also be developed for optimization of the resonator shape for maximum pressure increase.

Kinematical calculations of RHEED intensity oscillations during the growth of thin epitaxial films

NASA Astrophysics Data System (ADS)

Daniluk, Andrzej

2005-08-01

A practical computing algorithm working in real time has been developed for calculating the reflection high-energy electron diffraction (RHEED) from the molecular beam epitaxy (MBE) growing surface. The calculations are based on the use of kinematical diffraction theory. Simple mathematical models are used for the growth simulation in order to investigate the fundamental behaviors of reflectivity change during the growth of thin epitaxial films prepared using MBE. Program summaryTitle of program:GROWTH Catalogue identifier:ADVL Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVL Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computer for which the program is designed and others on which is has been tested:Pentium-based PC Operating systems or monitors under which the program has been tested:Windows 9x, XP, NT Programming language used:Object Pascal Memory required to execute with typical data:more than 1 MB Number of bits in a word: 64 bits Number of processors used: 1 Number of lines in distributed program, including test data, etc.: 10 989 Number of bytes in distributed program, including test data, etc.:103 048 Nature of the physical problem:Reflection high-energy electron diffraction (RHEED) is a very useful technique for studying growth and surface analysis of thin epitaxial structures prepared using the molecular beam epitaxy (MBE). The simplest approach to calculating the RHEED intensity during the growth of thin epitaxial films is the kinematical diffraction theory (often called kinematical approximation), in which only a single scattering event is taken into account. The biggest advantage of this approach is that we can calculate RHEED intensity in real time. Also, the approach facilitates intuitive understanding of the growth mechanism and surface morphology [P.I. Cohen, G.S. Petrich, P.R. Pukite, G.J. Whaley, A.S. Arrott, Surf. Sci. 216 (1989) 222]. Method of solution:Epitaxial growth of thin films is modeled by a set of non-linear differential equations [P.I. Cohen, G.S. Petrich, P.R. Pukite, G.J. Whaley, A.S. Arrott, Surf. Sci. 216 (1989) 222]. The Runge-Kutta method with adaptive stepsize control was used for solving initial value problem for non-linear differential equations [W.H. Press, B.P. Flannery, S.A. Teukolsky, W.T. Vetterling, Numerical Recipes in Pascal: The Art of Scientific Computing; first ed., Cambridge University Press, 1989; See also: Numerical Recipes in C++, second ed., Cambridge University Press, 1992]. Typical running time: The typical running time is machine and user-parameters dependent. Unusual features of the program: The program is distributed in the form of a main project Growth.dpr file and an independent Rhd.pas file and should be compiled using Object Pascal compilers, including Borland Delphi.

Small field detector correction factors kQclin,Qmsr (fclin,fmsr) for silicon-diode and diamond detectors with circular 6 MV fields derived using both empirical and numerical methods.

PubMed

O'Brien, D J; León-Vintró, L; McClean, B

2016-01-01

The use of radiotherapy fields smaller than 3 cm in diameter has resulted in the need for accurate detector correction factors for small field dosimetry. However, published factors do not always agree and errors introduced by biased reference detectors, inaccurate Monte Carlo models, or experimental errors can be difficult to distinguish. The aim of this study was to provide a robust set of detector-correction factors for a range of detectors using numerical, empirical, and semiempirical techniques under the same conditions and to examine the consistency of these factors between techniques. Empirical detector correction factors were derived based on small field output factor measurements for circular field sizes from 3.1 to 0.3 cm in diameter performed with a 6 MV beam. A PTW 60019 microDiamond detector was used as the reference dosimeter. Numerical detector correction factors for the same fields were derived based on calculations from a geant4 Monte Carlo model of the detectors and the Linac treatment head. Semiempirical detector correction factors were derived from the empirical output factors and the numerical dose-to-water calculations. The PTW 60019 microDiamond was found to over-respond at small field sizes resulting in a bias in the empirical detector correction factors. The over-response was similar in magnitude to that of the unshielded diode. Good agreement was generally found between semiempirical and numerical detector correction factors except for the PTW 60016 Diode P, where the numerical values showed a greater over-response than the semiempirical values by a factor of 3.7% for a 1.1 cm diameter field and higher for smaller fields. Detector correction factors based solely on empirical measurement or numerical calculation are subject to potential bias. A semiempirical approach, combining both empirical and numerical data, provided the most reliable results.

Do Different Types of School Mathematics Development Depend on Different Constellations of Numerical versus General Cognitive Abilities?

ERIC Educational Resources Information Center

Fuchs, Lynn S.; Geary, David C.; Compton, Donald L.; Fuchs, Douglas; Hamlett, Carol L.; Seethaler, Pamela M.; Bryant, Joan D.; Schatschneider, Christopher

2010-01-01

The purpose of this study was to examine the interplay between basic numerical cognition and domain-general abilities (such as working memory) in explaining school mathematics learning. First graders (N = 280; mean age = 5.77 years) were assessed on 2 types of basic numerical cognition, 8 domain-general abilities, procedural calculations, and word…

Numerical Analysis of Dusty-Gas Flows

NASA Astrophysics Data System (ADS)

Saito, T.

2002-02-01

This paper presents the development of a numerical code for simulating unsteady dusty-gas flows including shock and rarefaction waves. The numerical results obtained for a shock tube problem are used for validating the accuracy and performance of the code. The code is then extended for simulating two-dimensional problems. Since the interactions between the gas and particle phases are calculated with the operator splitting technique, we can choose numerical schemes independently for the different phases. A semi-analytical method is developed for the dust phase, while the TVD scheme of Harten and Yee is chosen for the gas phase. Throughout this study, computations are carried out on SGI Origin2000, a parallel computer with multiple of RISC based processors. The efficient use of the parallel computer system is an important issue and the code implementation on Origin2000 is also described. Flow profiles of both the gas and solid particles behind the steady shock wave are calculated by integrating the steady conservation equations. The good agreement between the pseudo-stationary solutions and those from the current numerical code validates the numerical approach and the actual coding. The pseudo-stationary shock profiles can also be used as initial conditions of unsteady multidimensional simulations.

On vertical advection truncation errors in terrain-following numerical models: Comparison to a laboratory model for upwelling over submarine canyons

NASA Astrophysics Data System (ADS)

Allen, S. E.; Dinniman, M. S.; Klinck, J. M.; Gorby, D. D.; Hewett, A. J.; Hickey, B. M.

2003-01-01

Submarine canyons which indent the continental shelf are frequently regions of steep (up to 45°), three-dimensional topography. Recent observations have delineated the flow over several submarine canyons during 2-4 day long upwelling episodes. Thus upwelling episodes over submarine canyons provide an excellent flow regime for evaluating numerical and physical models. Here we compare a physical and numerical model simulation of an upwelling event over a simplified submarine canyon. The numerical model being evaluated is a version of the S-Coordinate Rutgers University Model (SCRUM). Careful matching between the models is necessary for a stringent comparison. Results show a poor comparison for the homogeneous case due to nonhydrostatic effects in the laboratory model. Results for the stratified case are better but show a systematic difference between the numerical results and laboratory results. This difference is shown not to be due to nonhydrostatic effects. Rather, the difference is due to truncation errors in the calculation of the vertical advection of density in the numerical model. The calculation is inaccurate due to the terrain-following coordinates combined with a strong vertical gradient in density, vertical shear in the horizontal velocity and topography with strong curvature.

Impact of Image Noise on Gamma Index Calculation

NASA Astrophysics Data System (ADS)

Chen, M.; Mo, X.; Parnell, D.; Olivera, G.; Galmarini, D.; Lu, W.

2014-03-01

Purpose: The Gamma Index defines an asymmetric metric between the evaluated image and the reference image. It provides a quantitative comparison that can be used to indicate sample-wised pass/fail on the agreement of the two images. The Gamma passing/failing rate has become an important clinical evaluation tool. However, the presence of noise in the evaluated and/or reference images may change the Gamma Index, hence the passing/failing rate, and further, clinical decisions. In this work, we systematically studied the impact of the image noise on the Gamma Index calculation. Methods: We used both analytic formulation and numerical calculations in our study. The numerical calculations included simulations and clinical images. Three different noise scenarios were studied in simulations: noise in reference images only, in evaluated images only, and in both. Both white and spatially correlated noises of various magnitudes were simulated. For clinical images of various noise levels, the Gamma Index of measurement against calculation, calculation against measurement, and measurement against measurement, were evaluated. Results: Numerical calculations for both the simulation and clinical data agreed with the analytic formulations, and the clinical data agreed with the simulations. For the Gamma Index of measurement against calculation, its distribution has an increased mean and an increased standard deviation as the noise increases. On the contrary, for the Gamma index of calculation against measurement, its distribution has a decreased mean and stabilized standard deviation as the noise increases. White noise has greater impact on the Gamma Index than spatially correlated noise. Conclusions: The noise has significant impact on the Gamma Index calculation and the impact is asymmetric. The Gamma Index should be reported along with the noise levels in both reference and evaluated images. Reporting of the Gamma Index with switched roles of the images as reference and evaluated images or some composite metrics would be a good practice.

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

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

Dhakal, Tilak Raj

This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crackmore » tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.« less

Promotion of water-mediated carbon removal by nanostructured barium oxide/nickel interfaces in solid oxide fuel cells.

PubMed

Yang, Lei; Choi, YongMan; Qin, Wentao; Chen, Haiyan; Blinn, Kevin; Liu, Mingfei; Liu, Ping; Bai, Jianming; Tyson, Trevor A; Liu, Meilin

2011-06-21

The existing Ni-yttria-stabilized zirconia anodes in solid oxide fuel cells (SOFCs) perform poorly in carbon-containing fuels because of coking and deactivation at desired operating temperatures. Here we report a new anode with nanostructured barium oxide/nickel (BaO/Ni) interfaces for low-cost SOFCs, demonstrating high power density and stability in C(3)H(8), CO and gasified carbon fuels at 750°C. Synchrotron-based X-ray analyses and microscopy reveal that nanosized BaO islands grow on the Ni surface, creating numerous nanostructured BaO/Ni interfaces that readily adsorb water and facilitate water-mediated carbon removal reactions. Density functional theory calculations predict that the dissociated OH from H(2)O on BaO reacts with C on Ni near the BaO/Ni interface to produce CO and H species, which are then electrochemically oxidized at the triple-phase boundaries of the anode. This anode offers potential for ushering in a new generation of SOFCs for efficient, low-emission conversion of readily available fuels to electricity.

Spike-train spectra and network response functions for non-linear integrate-and-fire neurons.

PubMed

Richardson, Magnus J E

2008-11-01

Reduced models have long been used as a tool for the analysis of the complex activity taking place in neurons and their coupled networks. Recent advances in experimental and theoretical techniques have further demonstrated the usefulness of this approach. Despite the often gross simplification of the underlying biophysical properties, reduced models can still present significant difficulties in their analysis, with the majority of exact and perturbative results available only for the leaky integrate-and-fire model. Here an elementary numerical scheme is demonstrated which can be used to calculate a number of biologically important properties of the general class of non-linear integrate-and-fire models. Exact results for the first-passage-time density and spike-train spectrum are derived, as well as the linear response properties and emergent states of recurrent networks. Given that the exponential integrate-fire model has recently been shown to agree closely with the experimentally measured response of pyramidal cells, the methodology presented here promises to provide a convenient tool to facilitate the analysis of cortical-network dynamics.

iFeature: a python package and web server for features extraction and selection from protein and peptide sequences.

PubMed

Chen, Zhen; Zhao, Pei; Li, Fuyi; Leier, André; Marquez-Lago, Tatiana T; Wang, Yanan; Webb, Geoffrey I; Smith, A Ian; Daly, Roger J; Chou, Kuo-Chen; Song, Jiangning

2018-03-08

Structural and physiochemical descriptors extracted from sequence data have been widely used to represent sequences and predict structural, functional, expression and interaction profiles of proteins and peptides as well as DNAs/RNAs. Here, we present iFeature, a versatile Python-based toolkit for generating various numerical feature representation schemes for both protein and peptide sequences. iFeature is capable of calculating and extracting a comprehensive spectrum of 18 major sequence encoding schemes that encompass 53 different types of feature descriptors. It also allows users to extract specific amino acid properties from the AAindex database. Furthermore, iFeature integrates 12 different types of commonly used feature clustering, selection, and dimensionality reduction algorithms, greatly facilitating training, analysis, and benchmarking of machine-learning models. The functionality of iFeature is made freely available via an online web server and a stand-alone toolkit. http://iFeature.erc.monash.edu/; https://github.com/Superzchen/iFeature/. jiangning.song@monash.edu; kcchou@gordonlifescience.org; roger.daly@monash.edu. Supplementary data are available at Bioinformatics online.

A Multiphysics and Multiscale Software Environment for Modeling Astrophysical Systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; O'Nualláin, Breanndán; Heggie, Douglas; Lombardi, James; Hut, Piet; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Fuji, Michiko; Gaburov, Evghenii; Glebbeek, Evert; Groen, Derek; Harfst, Stefan; Izzard, Rob; Jurić, Mario; Justham, Stephen; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

We present MUSE, a software framework for tying together existing computational tools for different astrophysical domains into a single multiphysics, multiscale workload. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for a generalized stellar systems workload. MUSE has now reached a "Noah's Ark" milestone, with two available numerical solvers for each domain. MUSE can treat small stellar associations, galaxies and everything in between, including planetary systems, dense stellar clusters and galactic nuclei. Here we demonstrate an examples calculated with MUSE: the merger of two galaxies. In addition we demonstrate the working of MUSE on a distributed computer. The current MUSE code base is publicly available as open source at http://muse.li.

Thermo-optical Modelling of Laser Matter Interactions in Selective Laser Melting Processes.

NASA Astrophysics Data System (ADS)

Vinnakota, Raj; Genov, Dentcho

Selective laser melting (SLM) is one of the promising advanced manufacturing techniques, which is providing an ideal platform to manufacture components with zero geometric constraints. Coupling the electromagnetic and thermodynamic processes involved in the SLM, and developing the comprehensive theoretical model of the same is of great importance since it can provide significant improvements in the printing processes by revealing the optimal parametric space related to applied laser power, scan velocity, powder material, layer thickness and porosity. Here, we present a self-consistent Thermo-optical model which simultaneously solves the Maxwell's and the heat transfer equations and provides an insight into the electromagnetic energy released in the powder-beds and the concurrent thermodynamics of the particles temperature rise and onset of melting. The numerical calculations are compared with developed analytical model of the SLM process providing insight into the dynamics between laser facilitated Joule heating and radiation mitigated rise in temperature. These results provide guidelines toward improved energy efficiency and optimization of the SLM process scan rates. The current work is funded by the NSF EPSCoR CIMM project under award #OIA-1541079.

Promotion of water-mediated carbon removal by nanostructured barium oxide/nickel interfaces in solid oxide fuel cells

PubMed Central

Yang, Lei; Choi, YongMan; Qin, Wentao; Chen, Haiyan; Blinn, Kevin; Liu, Mingfei; Liu, Ping; Bai, Jianming; Tyson, Trevor A.; Liu, Meilin

2011-01-01

The existing Ni-yttria-stabilized zirconia anodes in solid oxide fuel cells (SOFCs) perform poorly in carbon-containing fuels because of coking and deactivation at desired operating temperatures. Here we report a new anode with nanostructured barium oxide/nickel (BaO/Ni) interfaces for low-cost SOFCs, demonstrating high power density and stability in C3H8, CO and gasified carbon fuels at 750°C. Synchrotron-based X-ray analyses and microscopy reveal that nanosized BaO islands grow on the Ni surface, creating numerous nanostructured BaO/Ni interfaces that readily adsorb water and facilitate water-mediated carbon removal reactions. Density functional theory calculations predict that the dissociated OH from H2O on BaO reacts with C on Ni near the BaO/Ni interface to produce CO and H species, which are then electrochemically oxidized at the triple-phase boundaries of the anode. This anode offers potential for ushering in a new generation of SOFCs for efficient, low-emission conversion of readily available fuels to electricity. PMID:21694705

Immuno gold nanocages with tailored optical properties for targeted photothermal destruction of cancer cells.

PubMed

Chen, Jingyi; Wang, Danling; Xi, Jiefeng; Au, Leslie; Siekkinen, Andy; Warsen, Addie; Li, Zhi-Yuan; Zhang, Hui; Xia, Younan; Li, Xingde

2007-05-01

Gold nanocages with a relatively small size (e.g., approximately 45 nm in edge length) have been developed, and the structure of these nanocages was tailored to achieve strong absorption in the near-infrared (NIR) region for photothermal cancer treatment. Numerical calculations show that the nanocage has a large absorption cross section of 3.48 x 10(-14) m(2), facilitating conversion of NIR irradiation into heat. The gold nanocages were conjugated with monoclonal antibodies (anti-HER2) to target epidermal growth factor receptors (EGFR) that are overexpressed on the surface of breast cancer cells (SK-BR-3). Our preliminary photothermal results show that the nanocages strongly absorb light in the NIR region with an intensity threshold of 1.5 W/cm(2) to induce thermal destruction to the cancer cells. In the intensity range of 1.5-4.7 W/cm(2), the circular area of damaged cells increased linearly with the irradiation power density. These results suggest that this new class of bioconjugated gold nanostructures, immuno gold nanocages, can potentially serve as an effective photothermal therapeutic agent for cancer treatment.

Symmetry dependence of holograms for optical trapping

NASA Astrophysics Data System (ADS)

Curtis, Jennifer E.; Schmitz, Christian H. J.; Spatz, Joachim P.

2005-08-01

No iterative algorithm is necessary to calculate holograms for most holographic optical trapping patterns. Instead, holograms may be produced by a simple extension of the prisms-and-lenses method. This formulaic approach yields the same diffraction efficiency as iterative algorithms for any asymmetric or symmetric but nonperiodic pattern of points while requiring less calculation time. A slight spatial disordering of periodic patterns significantly reduces intensity variations between the different traps without extra calculation costs. Eliminating laborious hologram calculations should greatly facilitate interactive holographic trapping.

Numerical simulation of the generation, propagation, and diffraction of nonlinear waves in a rectangular basin: A three-dimensional numerical wave tank

NASA Astrophysics Data System (ADS)

Darwiche, Mahmoud Khalil M.

The research presented herein is a contribution to the understanding of the numerical modeling of fully nonlinear, transient water waves. The first part of the work involves the development of a time-domain model for the numerical generation of fully nonlinear, transient waves by a piston type wavemaker in a three-dimensional, finite, rectangular tank. A time-domain boundary-integral model is developed for simulating the evolving fluid field. A robust nonsingular, adaptive integration technique for the assembly of the boundary-integral coefficient matrix is developed and tested. A parametric finite-difference technique for calculating the fluid- particle kinematics is also developed and tested. A novel compatibility and continuity condition is implemented to minimize the effect of the singularities that are inherent at the intersections of the various Dirichlet and/or Neumann subsurfaces. Results are presented which demonstrate the accuracy and convergence of the numerical model. The second portion of the work is a study of the interaction of the numerically-generated, fully nonlinear, transient waves with a bottom-mounted, surface-piercing, vertical, circular cylinder. The numerical model developed in the first part of this dissertation is extended to include the presence of the cylinder at the centerline of the basin. The diffraction of the numerically generated waves by the cylinder is simulated, and the particle kinematics of the diffracted flow field are calculated and reported. Again, numerical results showing the accuracy and convergence of the extended model are presented.

Bacterial Modulation of Plant Ethylene Levels

PubMed Central

Gamalero, Elisa; Glick, Bernard R.

2015-01-01

A focus on the mechanisms by which ACC deaminase-containing bacteria facilitate plant growth.Bacteria that produce the enzyme 1-aminocyclopropane-1-carboxylate (ACC) deaminase, when present either on the surface of plant roots (rhizospheric) or within plant tissues (endophytic), play an active role in modulating ethylene levels in plants. This enzyme activity facilitates plant growth especially in the presence of various environmental stresses. Thus, plant growth-promoting bacteria that express ACC deaminase activity protect plants from growth inhibition by flooding and anoxia, drought, high salt, the presence of fungal and bacterial pathogens, nematodes, and the presence of metals and organic contaminants. Bacteria that express ACC deaminase activity also decrease the rate of flower wilting, promote the rooting of cuttings, and facilitate the nodulation of legumes. Here, the mechanisms behind bacterial ACC deaminase facilitation of plant growth and development are discussed, and numerous examples of the use of bacteria with this activity are summarized. PMID:25897004

Development of a locally mass flux conservative computer code for calculating 3-D viscous flow in turbomachines

NASA Technical Reports Server (NTRS)

Walitt, L.

1982-01-01

The VANS successive approximation numerical method was extended to the computation of three dimensional, viscous, transonic flows in turbomachines. A cross-sectional computer code, which conserves mass flux at each point of the cross-sectional surface of computation was developed. In the VANS numerical method, the cross-sectional computation follows a blade-to-blade calculation. Numerical calculations were made for an axial annular turbine cascade and a transonic, centrifugal impeller with splitter vanes. The subsonic turbine cascade computation was generated in blade-to-blade surface to evaluate the accuracy of the blade-to-blade mode of marching. Calculated blade pressures at the hub, mid, and tip radii of the cascade agreed with corresponding measurements. The transonic impeller computation was conducted to test the newly developed locally mass flux conservative cross-sectional computer code. Both blade-to-blade and cross sectional modes of calculation were implemented for this problem. A triplet point shock structure was computed in the inducer region of the impeller. In addition, time-averaged shroud static pressures generally agreed with measured shroud pressures. It is concluded that the blade-to-blade computation produces a useful engineering flow field in regions of subsonic relative flow; and cross-sectional computation, with a locally mass flux conservative continuity equation, is required to compute the shock waves in regions of supersonic relative flow.

Numerical solution of Boltzmann tranport equation for TEA CO 2 laser having nitrogen-lean gas mixtures to predict laser characteristics and gas lifetime

NASA Astrophysics Data System (ADS)

Kumar, Manoj; Khare, Jai; Nath, A. K.

2007-02-01

Selective laser isotope separation by TEA CO 2 laser often needs short tail-free pulses. Using laser mixtures having very little nitrogen almost tail free laser pulses can be generated. The laser pulse characteristics and its gas lifetime is an important issue for long-term laser operation. Boltzmann transport equation is therefore solved numerically for TEA CO 2 laser gas mixtures having very little nitrogen to predict electron energy distribution function (EEDF). The distribution function is used to calculate various excitation and dissociation rate of CO 2 to predict laser pulse characteristics and laser gas lifetime, respectively. Laser rate equations have been solved with the calculated excitation rates for numerically evaluated discharge current and voltage profiles to calculate laser pulse shape. The calculated laser pulse shape and duration are in good agreement with the measured laser characteristics. The gas lifetime is estimated by integrating the equation governing the dissociation of CO 2. An experimental study of gas lifetime was carried out using quadrapole mass analyzer for such mixtures to estimate the O 2 being produced due to dissociation of CO 2 in the pulse discharge. The theoretically calculated O 2 concentration in the laser gas mixture matches with experimentally observed value. In the present TEA CO 2 laser system, for stable discharge the O 2 concentration should be below 0.2%.

Application of laser speckle to randomized numerical linear algebra

NASA Astrophysics Data System (ADS)

Valley, George C.; Shaw, Thomas J.; Stapleton, Andrew D.; Scofield, Adam C.; Sefler, George A.; Johannson, Leif

2018-02-01

We propose and simulate integrated optical devices for accelerating numerical linear algebra (NLA) calculations. Data is modulated on chirped optical pulses and these propagate through a multimode waveguide where speckle provides the random projections needed for NLA dimensionality reduction.

Muon Creation in Supernova Matter Facilitates Neutrino-Driven Explosions.

PubMed

Bollig, R; Janka, H-T; Lohs, A; Martínez-Pinedo, G; Horowitz, C J; Melson, T

2017-12-15

Muons can be created in nascent neutron stars (NSs) due to the high electron chemical potentials and the high temperatures. Because of their relatively lower abundance compared to electrons, their role has so far been ignored in numerical simulations of stellar core collapse and NS formation. However, the appearance of muons softens the NS equation of state, triggers faster NS contraction, and thus leads to higher luminosities and mean energies of the emitted neutrinos. This strengthens the postshock heating by neutrinos and can facilitate explosions by the neutrino-driven mechanism.

Grid refinement in Cartesian coordinates for groundwater flow models using the divergence theorem and Taylor's series.

PubMed

Mansour, M M; Spink, A E F

2013-01-01

Grid refinement is introduced in a numerical groundwater model to increase the accuracy of the solution over local areas without compromising the run time of the model. Numerical methods developed for grid refinement suffered certain drawbacks, for example, deficiencies in the implemented interpolation technique; the non-reciprocity in head calculations or flow calculations; lack of accuracy resulting from high truncation errors, and numerical problems resulting from the construction of elongated meshes. A refinement scheme based on the divergence theorem and Taylor's expansions is presented in this article. This scheme is based on the work of De Marsily (1986) but includes more terms of the Taylor's series to improve the numerical solution. In this scheme, flow reciprocity is maintained and high order of refinement was achievable. The new numerical method is applied to simulate groundwater flows in homogeneous and heterogeneous confined aquifers. It produced results with acceptable degrees of accuracy. This method shows the potential for its application to solving groundwater heads over nested meshes with irregular shapes. © 2012, British Geological Survey © NERC 2012. Ground Water © 2012, National GroundWater Association.

Numerical Investigations of Moisture Distribution in a Selected Anisotropic Soil Medium

NASA Astrophysics Data System (ADS)

Iwanek, M.

2018-01-01

The moisture of soil profile changes both in time and space and depends on many factors. Changes of the quantity of water in soil can be determined on the basis of in situ measurements, but numerical methods are increasingly used for this purpose. The quality of the results obtained using pertinent software packages depends on appropriate description and parameterization of soil medium. Thus, the issue of providing for the soil anisotropy phenomenon gains a big importance. Although anisotropy can be taken into account in many numerical models, isotopic soil is often assumed in the research process. However, this assumption can be a reason for incorrect results in the simulations of water changes in soil medium. In this article, results of numerical simulations of moisture distribution in the selected soil profile were presented. The calculations were conducted assuming isotropic and anisotropic conditions. Empirical verification of the results obtained in the numerical investigations indicated statistical essential discrepancies for the both analyzed conditions. However, better fitting measured and calculated moisture values was obtained for the case of providing for anisotropy in the simulation model.

Overaccommodation in a Singapore Eldercare Facility

ERIC Educational Resources Information Center

Cavallaro, Francesco; Seilhamer, Mark Fifer; Chee, Yi Tian Felicia; Ng, Bee Chin

2016-01-01

Numerous studies have shown that some speech accommodation in interactions with the elderly can aid communication. "Over"accommodaters, however, employing features such as high pitch, exaggerated prosody, and child-like forms of address, often demean, infantilise, and patronise elderly interlocutors rather than facilitate comprehension.…

76 FR 16796 - Pediatric Anesthesia Safety Initiative (PASI)

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-25

... children. However, the planning and performance of the numerous studies needed to address the... in children. FDA seeks under PASI to encourage and facilitate scientific collaboration among multiple... clinical studies to answer unknown questions regarding the effects of anesthetics and sedatives in the...

Calculation of electromagnetic force in electromagnetic forming process of metal sheet

NASA Astrophysics Data System (ADS)

Xu, Da; Liu, Xuesong; Fang, Kun; Fang, Hongyuan

2010-06-01

Electromagnetic forming (EMF) is a forming process that relies on the inductive electromagnetic force to deform metallic workpiece at high speed. Calculation of the electromagnetic force is essential to understand the EMF process. However, accurate calculation requires complex numerical solution, in which the coupling between the electromagnetic process and the deformation of workpiece needs be considered. In this paper, an appropriate formula has been developed to calculate the electromagnetic force in metal work-piece in the sheet EMF process. The effects of the geometric size of coil, the material properties, and the parameters of discharge circuit on electromagnetic force are taken into consideration. Through the formula, the electromagnetic force at different time and in different positions of the workpiece can be predicted. The calculated electromagnetic force and magnetic field are in good agreement with the numerical and experimental results. The accurate prediction of the electromagnetic force provides an insight into the physical process of the EMF and a powerful tool to design optimum EMF systems.

Numeric calculation of celestial bodies with spreadsheet analysis

NASA Astrophysics Data System (ADS)

Koch, Alexander

2016-04-01

The motion of the planets and moons in our solar system can easily be calculated for any time by the Kepler laws of planetary motion. The Kepler laws are a special case of the gravitational law of Newton, especially if you consider more than two celestial bodies. Therefore it is more basic to calculate the motion by using the gravitational law. But the problem is, that by gravitational law it is not possible to calculate the state of motion with only one step of calculation. The motion has to be numerical calculated for many time intervalls. For this reason, spreadsheet analysis is helpful for students. Skills in programmes like Excel, Calc or Gnumeric are important in professional life and can easily be learnt by students. These programmes can help to calculate the complex motions with many intervalls. The more intervalls are used, the more exact are the calculated orbits. The sutdents will first get a quick course in Excel. After that they calculate with instructions the 2-D-coordinates of the orbits of Moon and Mars. Step by step the students are coding the formulae for calculating physical parameters like coordinates, force, acceleration and velocity. The project is limited to 4 weeks or 8 lessons. So the calcualtion will only include the calculation of one body around the central mass like Earth or Sun. The three-body problem can only be shortly discussed at the end of the project.

Analysis of HIV using a high resolution melting (HRM) diversity assay: automation of HRM data analysis enhances the utility of the assay for analysis of HIV incidence.

PubMed

Cousins, Matthew M; Swan, David; Magaret, Craig A; Hoover, Donald R; Eshleman, Susan H

2012-01-01

HIV diversity may be a useful biomarker for discriminating between recent and non-recent HIV infection. The high resolution melting (HRM) diversity assay was developed to quantify HIV diversity in viral populations without sequencing. In this assay, HIV diversity is expressed as a single numeric HRM score that represents the width of a melting peak. HRM scores are highly associated with diversity measures obtained with next generation sequencing. In this report, a software package, the HRM Diversity Assay Analysis Tool (DivMelt), was developed to automate calculation of HRM scores from melting curve data. DivMelt uses computational algorithms to calculate HRM scores by identifying the start (T1) and end (T2) melting temperatures for a DNA sample and subtracting them (T2 - T1 =  HRM score). DivMelt contains many user-supplied analysis parameters to allow analyses to be tailored to different contexts. DivMelt analysis options were optimized to discriminate between recent and non-recent HIV infection and to maximize HRM score reproducibility. HRM scores calculated using DivMelt were compared to HRM scores obtained using a manual method that is based on visual inspection of DNA melting curves. HRM scores generated with DivMelt agreed with manually generated HRM scores obtained from the same DNA melting data. Optimal parameters for discriminating between recent and non-recent HIV infection were identified. DivMelt provided greater discrimination between recent and non-recent HIV infection than the manual method. DivMelt provides a rapid, accurate method of determining HRM scores from melting curve data, facilitating use of the HRM diversity assay for large-scale studies.

Analysis of HIV Using a High Resolution Melting (HRM) Diversity Assay: Automation of HRM Data Analysis Enhances the Utility of the Assay for Analysis of HIV Incidence

PubMed Central

Cousins, Matthew M.; Swan, David; Magaret, Craig A.; Hoover, Donald R.; Eshleman, Susan H.

2012-01-01

Background HIV diversity may be a useful biomarker for discriminating between recent and non-recent HIV infection. The high resolution melting (HRM) diversity assay was developed to quantify HIV diversity in viral populations without sequencing. In this assay, HIV diversity is expressed as a single numeric HRM score that represents the width of a melting peak. HRM scores are highly associated with diversity measures obtained with next generation sequencing. In this report, a software package, the HRM Diversity Assay Analysis Tool (DivMelt), was developed to automate calculation of HRM scores from melting curve data. Methods DivMelt uses computational algorithms to calculate HRM scores by identifying the start (T1) and end (T2) melting temperatures for a DNA sample and subtracting them (T2–T1 = HRM score). DivMelt contains many user-supplied analysis parameters to allow analyses to be tailored to different contexts. DivMelt analysis options were optimized to discriminate between recent and non-recent HIV infection and to maximize HRM score reproducibility. HRM scores calculated using DivMelt were compared to HRM scores obtained using a manual method that is based on visual inspection of DNA melting curves. Results HRM scores generated with DivMelt agreed with manually generated HRM scores obtained from the same DNA melting data. Optimal parameters for discriminating between recent and non-recent HIV infection were identified. DivMelt provided greater discrimination between recent and non-recent HIV infection than the manual method. Conclusion DivMelt provides a rapid, accurate method of determining HRM scores from melting curve data, facilitating use of the HRM diversity assay for large-scale studies. PMID:23240016

Mathematical modelling of risk reduction in reinsurance

NASA Astrophysics Data System (ADS)

Balashov, R. B.; Kryanev, A. V.; Sliva, D. E.

2017-01-01

The paper presents a mathematical model of efficient portfolio formation in the reinsurance markets. The presented approach provides the optimal ratio between the expected value of return and the risk of yield values below a certain level. The uncertainty in the return values is conditioned by use of expert evaluations and preliminary calculations, which result in expected return values and the corresponding risk levels. The proposed method allows for implementation of computationally simple schemes and algorithms for numerical calculation of the numerical structure of the efficient portfolios of reinsurance contracts of a given insurance company.

Physical barriers formed from gelling liquids: 1. numerical design of laboratory and field experiments

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

Finsterle, S.; Moridis, G.J.; Pruess, K.

1994-01-01

The emplacement of liquids under controlled viscosity conditions is investigated by means of numerical simulations. Design calculations are performed for a laboratory experiment on a decimeter scale, and a field experiment on a meter scale. The purpose of the laboratory experiment is to study the behavior of multiple gout plumes when injected in a porous medium. The calculations for the field trial aim at designing a grout injection test from a vertical well in order to create a grout plume of a significant extent in the subsurface.

Steady state operation simulation of the Francis-99 turbine by means of advanced turbulence models

NASA Astrophysics Data System (ADS)

Gavrilov, A.; Dekterev, A.; Minakov, A.; Platonov, D.; Sentyabov, A.

2017-01-01

The paper presents numerical simulation of the flow in hydraulic turbine based on the experimental data of the II Francis-99 workshop. The calculation domain includes the wicket gate, runner and draft tube with rotating reference frame for the runner zone. Different turbulence models such as k-ω SST, ζ-f and RSM were considered. The calculations were performed by means of in-house CFD code SigmaFlow. The numerical simulation for part load, high load and best efficiency operation points were performed.

Steady viscous flow past a circular cylinder

NASA Technical Reports Server (NTRS)

Fornberg, B.

1984-01-01

Viscous flow past a circular cylinder becomes unstable around Reynolds number Re = 40. With a numerical technique based on Newton's method and made possible by the use of a supercomputer, steady (but unstable) solutions have been calculated up to Re = 400. It is found that the wake continues to grow in length approximately linearly with Re. However, in conflict with available asymptotic predictions, the width starts to increase very rapidly around Re = 300. All numerical calculations have been performed on the CDC CYBER 205 at the CDC Service Center in Arden Hills, Minnesota.

Verification of a three-dimensional viscous flow analysis for a single stage compressor

NASA Astrophysics Data System (ADS)

Matsuoka, Akinori; Hashimoto, Keisuke; Nozaki, Osamu; Kikuchi, Kazuo; Fukuda, Masahiro; Tamura, Atsuhiro

1992-12-01

A transonic flowfield around rotor blades of a highly loaded single stage axial compressor was numerically analyzed by a three dimensional compressible Navier-Stokes equation code using Chakravarthy and Osher type total variation diminishing (TVD) scheme. A stage analysis which calculates both flowfields around inlet guide vane (IGV) and rotor blades simultaneously was carried out. Comparing with design values and experimental data, computed results show slight difference quantitatively. But the numerical calculation simulates well the pressure rise characteristics of the compressor and its flow pattern including strong shock surface.

Calculation of the bending of electromechanical aircraft element made of the carbon fiber

NASA Astrophysics Data System (ADS)

Danilova-Volkovskaya, Galina; Chepurnenko, Anton; Begak, Aleksandr; Savchenko, Andrey

2017-10-01

We consider a method of calculation of an orthotropic plate with variable thickness. The solution is performed numerically by the finite element method. The calculation is made for the springs of a hang glider made of carbon fiber. The comparison of the results with Sofistik software complex is given.

Numerical calculation of the Fresnel transform.

PubMed

Kelly, Damien P

2014-04-01

In this paper, we address the problem of calculating Fresnel diffraction integrals using a finite number of uniformly spaced samples. General and simple sampling rules of thumb are derived that allow the user to calculate the distribution for any propagation distance. It is shown how these rules can be extended to fast-Fourier-transform-based algorithms to increase calculation efficiency. A comparison with other theoretical approaches is made.

Model for Correlating Real-Time Survey Results to Contaminant Concentrations - 12183

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

Walker, Stuart A.

2012-07-01

The U.S. Environmental Protection Agency (EPA) Superfund program is developing a new Counts Per Minute (CPM) calculator to correlate real-time survey results, which are often expressed as counts per minute, to contaminant concentrations that are more typically provided in risk assessments or for cleanup levels, usually expressed in pCi/g or pCi/m{sup 2}. Currently there is no EPA guidance for Superfund sites on correlating count per minute field survey readings back to risk, dose, or other ARAR based concentrations. The CPM calculator is a web-based model that estimates a gamma detector response for a given level of contamination. The intent ofmore » the CPM calculator is to facilitate more real-time measurements within a Superfund response framework. The draft of the CPM calculator is still undergoing internal EPA review. This will be followed by external peer review. It is expected that the CPM calculator will at least be in peer review by the time of WM2012 and possibly finalized at that time. The CPM calculator should facilitate greater use of real-time measurement at Superfund sites. The CPM calculator may also standardize the process of converting lab data to real time measurements. It will thus lessen the amount of lab sampling that is needed for site characterization and confirmation surveys, but it will not remove the need for sampling. (authors)« less

Two approaches for the gravitational self-force in black hole spacetime: Comparison of numerical results

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

Sago, Norichika; Barack, Leor; Detweiler, Steven

2008-12-15

Recently, two independent calculations have been presented of finite-mass ('self-force') effects on the orbit of a point mass around a Schwarzschild black hole. While both computations are based on the standard mode-sum method, they differ in several technical aspects, which makes comparison between their results difficult--but also interesting. Barack and Sago [Phys. Rev. D 75, 064021 (2007)] invoke the notion of a self-accelerated motion in a background spacetime, and perform a direct calculation of the local self-force in the Lorenz gauge (using numerical evolution of the perturbation equations in the time domain); Detweiler [Phys. Rev. D 77, 124026 (2008)] describesmore » the motion in terms a geodesic orbit of a (smooth) perturbed spacetime, and calculates the metric perturbation in the Regge-Wheeler gauge (using frequency-domain numerical analysis). Here we establish a formal correspondence between the two analyses, and demonstrate the consistency of their numerical results. Specifically, we compare the value of the conservative O({mu}) shift in u{sup t} (where {mu} is the particle's mass and u{sup t} is the Schwarzschild t component of the particle's four-velocity), suitably mapped between the two orbital descriptions and adjusted for gauge. We find that the two analyses yield the same value for this shift within mere fractional differences of {approx}10{sup -5}-10{sup -7} (depending on the orbital radius)--comparable with the estimated numerical error.« less

Numerical calculation of the entanglement entropy for scalar field in dilaton spacetimes

NASA Astrophysics Data System (ADS)

Huang, Shifeng; Fang, Xiongjun; Jing, Jiliang

2018-06-01

Using coupled harmonic oscillators model, we numerical analyze the entanglement entropy of massless scalar field in Gafinkle-Horowitz-Strominger (GHS) dilaton spacetime and Gibbons-Maeda (GM) dilaton spacetime. By numerical fitting, we find that the entanglement entropy of the dilaton black holes receive contribution from dilaton charge and is proportional to the area of the event horizon. It is interesting to note that the results of numerical fitting are coincide with ones obtained by using brick wall method and Euclidean path integral approach.

Numerical Algorithm for Delta of Asian Option

PubMed Central

Zhang, Boxiang; Yu, Yang; Wang, Weiguo

2015-01-01

We study the numerical solution of the Greeks of Asian options. In particular, we derive a close form solution of Δ of Asian geometric option and use this analytical form as a control to numerically calculate Δ of Asian arithmetic option, which is known to have no explicit close form solution. We implement our proposed numerical method and compare the standard error with other classical variance reduction methods. Our method provides an efficient solution to the hedging strategy with Asian options. PMID:26266271

Numerical calculations of two dimensional, unsteady transonic flows with circulation

NASA Technical Reports Server (NTRS)

Beam, R. M.; Warming, R. F.

1974-01-01

The feasibility of obtaining two-dimensional, unsteady transonic aerodynamic data by numerically integrating the Euler equations is investigated. An explicit, third-order-accurate, noncentered, finite-difference scheme is used to compute unsteady flows about airfoils. Solutions for lifting and nonlifting airfoils are presented and compared with subsonic linear theory. The applicability and efficiency of the numerical indicial function method are outlined. Numerically computed subsonic and transonic oscillatory aerodynamic coefficients are presented and compared with those obtained from subsonic linear theory and transonic wind-tunnel data.

Analysis of ultrasonically rotating droplet using moving particle semi-implicit and distributed point source methods

NASA Astrophysics Data System (ADS)

Wada, Yuji; Yuge, Kohei; Tanaka, Hiroki; Nakamura, Kentaro

2016-07-01

Numerical analysis of the rotation of an ultrasonically levitated droplet with a free surface boundary is discussed. The ultrasonically levitated droplet is often reported to rotate owing to the surface tangential component of acoustic radiation force. To observe the torque from an acoustic wave and clarify the mechanism underlying the phenomena, it is effective to take advantage of numerical simulation using the distributed point source method (DPSM) and moving particle semi-implicit (MPS) method, both of which do not require a calculation grid or mesh. In this paper, the numerical treatment of the viscoacoustic torque, which emerges from the viscous boundary layer and governs the acoustical droplet rotation, is discussed. The Reynolds stress traction force is calculated from the DPSM result using the idea of effective normal particle velocity through the boundary layer and input to the MPS surface particles. A droplet levitated in an acoustic chamber is simulated using the proposed calculation method. The droplet is vertically supported by a plane standing wave from an ultrasonic driver and subjected to a rotating sound field excited by two acoustic sources on the side wall with different phases. The rotation of the droplet is successfully reproduced numerically and its acceleration is discussed and compared with those in the literature.

Numerical analysis of ion wind flow using space charge for optimal design

NASA Astrophysics Data System (ADS)

Ko, Han Seo; Shin, Dong Ho; Baek, Soo Hong

2014-11-01

Ion wind flow has been widly studied for its advantages of a micro fluidic device. However, it is very difficult to predict the performance of the ion wind flow for various conditions because of its complicated electrohydrodynamic phenomena. Thus, a reliable numerical modeling is required to design an otimal ion wind generator and calculate velocity of the ion wind for the proper performance. In this study, the numerical modeling of the ion wind has been modified and newly defined to calculate the veloctiy of the ion wind flow by combining three basic models such as electrostatics, electrodynamics and fluid dynamics. The model has included presence of initial space charges to calculate transfer energy between space charges and air gas molecules using a developed space charge correlation. The simulation has been performed for a geometry of a pin to parallel plate electrode. Finally, the results of the simulation have been compared with the experimental data for the ion wind velocity to confirm the accuracy of the modified numerical modeling and to obtain the optimal design of the ion wind generator. This work was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Korean government (MEST) (No. 2013R1A2A2A01068653).

Quasiclassical calculations of blackbody-radiation-induced depopulation rates and effective lifetimes of Rydberg nS, nP, and nD alkali-metal atoms with n{<=}80

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

Beterov, I. I.; Ryabtsev, I. I.; Tretyakov, D. B.

2009-05-15

Rates of depopulation by blackbody radiation (BBR) and effective lifetimes of alkali-metal nS, nP, and nD Rydberg states have been calculated in a wide range of principal quantum numbers n{<=}80 at the ambient temperatures of 77, 300, and 600 K. Quasiclassical formulas were used to calculate the radial matrix elements of the dipole transitions from Rydberg states. Good agreement of our numerical results with the available theoretical and experimental data has been found. We have also obtained simple analytical formulas for estimates of effective lifetimes and BBR-induced depopulation rates, which well agree with the numerical data.

Transverse spin correlations of the random transverse-field Ising model

NASA Astrophysics Data System (ADS)

Iglói, Ferenc; Kovács, István A.

2018-03-01

The critical behavior of the random transverse-field Ising model in finite-dimensional lattices is governed by infinite disorder fixed points, several properties of which have already been calculated by the use of the strong disorder renormalization-group (SDRG) method. Here we extend these studies and calculate the connected transverse-spin correlation function by a numerical implementation of the SDRG method in d =1 ,2 , and 3 dimensions. At the critical point an algebraic decay of the form ˜r-ηt is found, with a decay exponent being approximately ηt≈2 +2 d . In d =1 the results are related to dimer-dimer correlations in the random antiferromagnetic X X chain and have been tested by numerical calculations using free-fermionic techniques.

Two-Photon Transitions in Hydrogen-Like Atoms

NASA Astrophysics Data System (ADS)

Martinis, Mladen; Stojić, Marko

Different methods for evaluating two-photon transition amplitudes in hydrogen-like atoms are compared with the improved method of direct summation. Three separate contributions to the two-photon transition probabilities in hydrogen-like atoms are calculated. The first one coming from the summation over discrete intermediate states is performed up to nc(max) = 35. The second contribution from the integration over the continuum states is performed numerically. The third contribution coming from the summation from nc(max) to infinity is calculated in an approximate way using the mean level energy for this region. It is found that the choice of nc(max) controls the numerical error in the calculations and can be used to increase the accuracy of the results much more efficiently than in other methods.

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition. 2; Inclusion of Exchange

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2004-01-01

The development of a practical method of accurately calculating the full scattering amplitude, without making a partial wave decomposition is continued. The method is developed in the context of electron-hydrogen scattering, and here exchange is dealt with by considering e-H scattering in the static exchange approximation. The Schroedinger equation in this approximation can be simplified to a set of coupled integro-differential equations. The equations are solved numerically for the full scattering wave function. The scattering amplitude can most accurately be calculated from an integral expression for the amplitude; that integral can be formally simplified, and then evaluated using the numerically determined wave function. The results are essentially identical to converged partial wave results.

Analysis and calculation of macrosegregation in a casting ingot, exhibits C and E

NASA Technical Reports Server (NTRS)

Poirier, D. R.; Maples, A. L.

1984-01-01

A computer model which describes the solidification of a binary metal alloy in an insulated rectangular mold with a temperature gradient is presented. A numerical technique, applicable to a broad class of moving boundary problems, was implemented therein. The solidification model described is used to calculate the macrosegregation within the solidified casting by coupling the equations for liquid flow in the solid/liquid or mushy zone with the energy equation for heat flow throughout the ingot and thermal convection in the bulk liquid portion. The rate of development of the solid can be automatically calculated by the model. Numerical analysis of such solidification parameters as enthalpy and boundary layer flow is displayed. On-line user interface and software documentation are presented.

Numerical study of fluid motion in bioreactor with two mixers

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

Zheleva, I., E-mail: izheleva@uni-ruse.bg; Lecheva, A., E-mail: alecheva@uni-ruse.bg

2015-10-28

Numerical study of hydrodynamic laminar behavior of a viscous fluid in bioreactor with multiple mixers is provided in the present paper. The reactor is equipped with two disk impellers. The fluid motion is studied in stream function-vorticity formulation. The calculations are made by a computer program, written in MATLAB. The fluid structure is described and numerical results are graphically presented and commented.

A Numerical and Theoretical Study of Seismic Wave Diffraction in Complex Geologic Structure

DTIC Science & Technology

1989-04-14

element methods for analyzing linear and nonlinear seismic effects in the surficial geologies relevant to several Air Force missions. The second...exact solution evaluated here indicates that edge-diffracted seismic wave fields calculated by discrete numerical methods probably exhibits significant...study is to demonstrate and validate some discrete numerical methods essential for analyzing linear and nonlinear seismic effects in the surficial

Studies of aircraft differential maneuvering. Report 75-27: Calculating of differential-turning barrier surfaces. Report 75-26: A user's guide to the aircraft energy-turn and tandem-motion computer programs. Report 75-7: A user's guide to the aircraft energy-turn hodograph program. [numerical analysis of tactics and aircraft maneuvers of supersonic attack aircraft

NASA Technical Reports Server (NTRS)

Kelley, H. J.; Lefton, L.

1976-01-01

The numerical analysis of composite differential-turn trajectory pairs was studied for 'fast-evader' and 'neutral-evader' attitude dynamics idealization for attack aircraft. Transversality and generalized corner conditions are examined and the joining of trajectory segments discussed. A criterion is given for the screening of 'tandem-motion' trajectory segments. Main focus is upon the computation of barrier surfaces. Fortunately, from a computational viewpoint, the trajectory pairs defining these surfaces need not be calculated completely, the final subarc of multiple-subarc pairs not being required. Some calculations for pairs of example aircraft are presented. A computer program used to perform the calculations is included.

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework.

PubMed

Berger, Daniel; Logsdail, Andrew J; Oberhofer, Harald; Farrow, Matthew R; Catlow, C Richard A; Sherwood, Paul; Sokol, Alexey A; Blum, Volker; Reuter, Karsten

2014-07-14

We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding quantum and molecular mechanical (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential functionality into FHI-aims to describe cations at the QM/MM boundary through effective core potentials and therewith prevent spurious overpolarization of the electronic density. Based on numeric atomic orbital basis sets, FHI-aims offers particularly efficient access to exact exchange and second order perturbation theory, rendering the established QM/MM setup an ideal tool for hybrid and double-hybrid level density functional theory calculations of solid systems. We illustrate this capability by calculating the reduction potential of Fe in the Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for (photo-)catalytic water oxidation at TiO2(110).

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework

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

Berger, Daniel, E-mail: daniel.berger@ch.tum.de; Oberhofer, Harald; Reuter, Karsten

2014-07-14

We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding quantum and molecular mechanical (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential functionality into FHI-aims to describe cations at the QM/MM boundary through effective core potentials and therewith prevent spurious overpolarization of the electronic density. Based on numeric atomic orbital basis sets, FHI-aims offers particularly efficient access to exact exchange and second order perturbation theory, rendering the established QM/MM setup an ideal tool for hybrid and double-hybrid level density functional theory calculations of solid systems. We illustrate this capabilitymore » by calculating the reduction potential of Fe in the Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for (photo-)catalytic water oxidation at TiO{sub 2}(110)« less

Simplified Numerical Description of SPT Operations

NASA Technical Reports Server (NTRS)

Manzella, David H.

1995-01-01

A simplified numerical model of the plasma discharge within the SPT-100 stationary plasma thruster was developed to aid in understanding thruster operation. A one dimensional description was used. Non-axial velocities were neglected except for the azimuthal electron velocity. A nominal operating condition of 4.5 mg/s of xenon anode flow was considered with 4.5 Amperes of discharge current, and a peak radial magnetic field strength of 130 Gauss. For these conditions, the calculated results indicated ionization fractions of 0.99 near the thruster exit with a potential drop across the discharge of approximately 250 Volts. Peak calculated electron temperatures were found to be sensitive to the choice of total ionization cross section for ionization of atomic xenon by electron bombardment and ranged from 51 eV to 60 eV. The calculated ionization fraction, potential drop, and electron number density agree favorably with previous experiments. Calculated electron temperatures are higher than previously measured.

Polyatomic molecular Dirac-Hartree-Fock calculations with Gaussian basis sets

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.; Faegri, Knut, Jr.; Taylor, Peter R.

1990-01-01

Numerical methods have been used successfully in atomic Dirac-Hartree-Fock (DHF) calculations for many years. Some DHF calculations using numerical methods have been done on diatomic molecules, but while these serve a useful purpose for calibration, the computational effort in extending this approach to polyatomic molecules is prohibitive. An alternative more in line with traditional quantum chemistry is to use an analytical basis set expansion of the wave function. This approach fell into disrepute in the early 1980's due to problems with variational collapse and intruder states, but has recently been put on firm theoretical foundations. In particular, the problems of variational collapse are well understood, and prescriptions for avoiding the most serious failures have been developed. Consequently, it is now possible to develop reliable molecular programs using basis set methods. This paper describes such a program and reports results of test calculations to demonstrate the convergence and stability of the method.

Numerical approach for unstructured quantum key distribution

PubMed Central

Coles, Patrick J.; Metodiev, Eric M.; Lütkenhaus, Norbert

2016-01-01

Quantum key distribution (QKD) allows for communication with security guaranteed by quantum theory. The main theoretical problem in QKD is to calculate the secret key rate for a given protocol. Analytical formulas are known for protocols with symmetries, since symmetry simplifies the analysis. However, experimental imperfections break symmetries, hence the effect of imperfections on key rates is difficult to estimate. Furthermore, it is an interesting question whether (intentionally) asymmetric protocols could outperform symmetric ones. Here we develop a robust numerical approach for calculating the key rate for arbitrary discrete-variable QKD protocols. Ultimately this will allow researchers to study ‘unstructured' protocols, that is, those that lack symmetry. Our approach relies on transforming the key rate calculation to the dual optimization problem, which markedly reduces the number of parameters and hence the calculation time. We illustrate our method by investigating some unstructured protocols for which the key rate was previously unknown. PMID:27198739

A GPU-based calculation using the three-dimensional FDTD method for electromagnetic field analysis.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2010-01-01

Numerical simulations with the numerical human model using the finite-difference time domain (FDTD) method have recently been performed frequently in a number of fields in biomedical engineering. However, the FDTD calculation runs too slowly. We focus, therefore, on general purpose programming on the graphics processing unit (GPGPU). The three-dimensional FDTD method was implemented on the GPU using Compute Unified Device Architecture (CUDA). In this study, we used the NVIDIA Tesla C1060 as a GPGPU board. The performance of the GPU is evaluated in comparison with the performance of a conventional CPU and a vector supercomputer. The results indicate that three-dimensional FDTD calculations using a GPU can significantly reduce run time in comparison with that using a conventional CPU, even a native GPU implementation of the three-dimensional FDTD method, while the GPU/CPU speed ratio varies with the calculation domain and thread block size.

A novel method for calculating relative free energy of similar molecules in two environments

NASA Astrophysics Data System (ADS)

Farhi, Asaf; Singh, Bipin

2017-03-01

Calculating relative free energies is a topic of substantial interest and has many applications including solvation and binding free energies, which are used in computational drug discovery. However, there remain the challenges of accuracy, simple implementation, robustness and efficiency, which prevent the calculations from being automated and limit their use. Here we present an exact and complete decoupling analysis in which the partition functions of the compared systems decompose into the partition functions of the common and different subsystems. This decoupling analysis is applicable to submolecules with coupled degrees of freedom such as the methyl group and to any potential function (including the typical dihedral potentials), enabling to remove less terms in the transformation which results in a more efficient calculation. Then we show mathematically, in the context of partition function decoupling, that the two compared systems can be simulated separately, eliminating the need to design a composite system. We demonstrate the decoupling analysis and the separate transformations in a relative free energy calculation using MD simulations for a general force field and compare to another calculation and to experimental results. We present a unified soft-core technique that ensures the monotonicity of the numerically integrated function (analytical proof) which is important for the selection of intermediates. We show mathematically that in this soft-core technique the numerically integrated function can be non-steep only when we transform the systems separately, which can simplify the numerical integration. Finally, we show that when the systems have rugged energy landscape they can be equilibrated without introducing another sampling dimension which can also enable to use the simulation results for other free energy calculations.

An improved model for the calculation of CO2 solubility in aqueous solutions containing Na+, K+, Ca2+, Mg2+, Cl-, and SO42-

USGS Publications Warehouse

Duan, Zhenhao; Sun, R.; Zhu, Chen; Chou, I.-Ming

2006-01-01

An improved model is presented for the calculation of the solubility of carbon dioxide in aqueous solutions containing Na+, K+, Ca2+, Mg2+, Cl-, and SO42- in a wide temperature-pressure-ionic strength range (from 273 to 533 K, from 0 to 2000 bar, and from 0 to 4.5 molality of salts) with experimental accuracy. The improvements over the previous model [Duan, Z. and Sun, R., 2003. An improved model calculating CO2 solubility in pure water and aqueous NaCl solutions from 273 to 533K and from 0 to 2000 bar. Chemical Geology, 193: 257-271] include: (1) By developing a non-iterative equation to replace the original equation of state in the calculation of CO 2 fugacity coefficients, the new model is at least twenty times computationally faster and can be easily adapted to numerical reaction-flow simulator for such applications as CO2 sequestration and (2) By fitting to the new solubility data, the new model improved the accuracy below 288 K from 6% to about 3% of uncertainty but still retains the high accuracy of the original model above 288 K. We comprehensively evaluate all experimental CO2 solubility data. Compared with these data, this model not only reproduces all the reliable data used for the parameterization but also predicts the data that were not used in the parameterization. In order to facilitate the application to CO2 sequestration, we also predicted CO2 solubility in seawater at two-phase coexistence (vapor-liquid or liquid-liquid) and at three-phase coexistence (CO2 hydrate-liquid water-vapor CO2 [or liquid CO2]). The improved model is programmed and can be downloaded from the website http://www.geochem-model.org/programs.htm. ?? 2005 Elsevier B.V. All rights reserved.

Numerical simulation of artificial hip joint motion based on human age factor

NASA Astrophysics Data System (ADS)

Ramdhani, Safarudin; Saputra, Eko; Jamari, J.

2018-05-01

Artificial hip joint is a prosthesis (synthetic body part) which usually consists of two or more components. Replacement of the hip joint due to the occurrence of arthritis, ordinarily patients aged or older. Numerical simulation models are used to observe the range of motion in the artificial hip joint, the range of motion of joints used as the basis of human age. Finite- element analysis (FEA) is used to calculate stress von mises in motion and observes a probability of prosthetic impingement. FEA uses a three-dimensional nonlinear model and considers the position variation of acetabular liner cups. The result of numerical simulation shows that FEA method can be used to analyze the performance calculation of the artificial hip joint at this time more accurate than conventional method.

RIO: a new computational framework for accurate initial data of binary black holes

NASA Astrophysics Data System (ADS)

Barreto, W.; Clemente, P. C. M.; de Oliveira, H. P.; Rodriguez-Mueller, B.

2018-06-01

We present a computational framework ( Rio) in the ADM 3+1 approach for numerical relativity. This work enables us to carry out high resolution calculations for initial data of two arbitrary black holes. We use the transverse conformal treatment, the Bowen-York and the puncture methods. For the numerical solution of the Hamiltonian constraint we use the domain decomposition and the spectral decomposition of Galerkin-Collocation. The nonlinear numerical code solves the set of equations for the spectral modes using the standard Newton-Raphson method, LU decomposition and Gaussian quadratures. We show the convergence of the Rio code. This code allows for easy deployment of large calculations. We show how the spin of one of the black holes is manifest in the conformal factor.

Study on magnetic circuit of moving magnet linear compressor

NASA Astrophysics Data System (ADS)

Xia, Ming; Chen, Xiaoping; Chen, Jun

2015-05-01

The moving magnet linear compressors are very popular in the tactical miniature stirling cryocoolers. The magnetic circuit of LFC3600 moving magnet linear compressor, manufactured by Kunming institute of Physics, was studied in this study. Three methods of the analysis theory, numerical calculation and experiment study were applied in the analysis process. The calculated formula of magnetic reluctance and magnetomotive force were given in theoretical analysis model. The magnetic flux density and magnetic flux line were analyzed in numerical analysis model. A testing method was designed to test the magnetic flux density of the linear compressor. When the piston of the motor was in the equilibrium position, the value of the magnetic flux density was at the maximum of 0.27T. The results were almost equal to the ones from numerical analysis.

Anharmonic, dimensionality and size effects in phonon transport

NASA Astrophysics Data System (ADS)

Thomas, Iorwerth O.; Srivastava, G. P.

2017-12-01

We have developed and employed a numerically efficient semi- ab initio theory, based on density-functional and relaxation-time schemes, to examine anharmonic, dimensionality and size effects in phonon transport in three- and two-dimensional solids of different crystal symmetries. Our method uses third- and fourth-order terms in crystal Hamiltonian expressed in terms of a temperature-dependent Grüneisen’s constant. All input to numerical calculations are generated from phonon calculations based on the density-functional perturbation theory. It is found that four-phonon processes make important and measurable contribution to lattice thermal resistivity above the Debye temperature. From our numerical results for bulk Si, bulk Ge, bulk MoS2 and monolayer MoS2 we find that the sample length dependence of phonon conductivity is significantly stronger in low-dimensional solids.

DEVELOPMENT AND EVALUATION OF AN INTEGRATED MODEL TO FACILITATE RISK-BASED CORRECTIVE ACTION AT SUPERFUND SITES

EPA Science Inventory

We developed a numerical model to predict chemical concentrations in indoor environments resulting from soil vapor intrusion and volatilization from groundwater. The model, which integrates new and existing algorithms for chemical fate and transport, was originally...

Hypnosis as a Tool in Parapsychological Research.

ERIC Educational Resources Information Center

Casler, Lawrence

The existence of extrasensory perception (ESP) among volunteer college students was investigated in numerous studies, under hypnotic and non-hypnotic conditions. Study results indicate that: (1) some types of suggestions administered in a hypnotic context appear to facilitate extrasensory perception; (2) strong ESP suggestions administered without…

An Object-Oriented Finite Element Framework for Multiphysics Phase Field Simulations

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

Michael R Tonks; Derek R Gaston; Paul C Millett

2012-01-01

The phase field approach is a powerful and popular method for modeling microstructure evolution. In this work, advanced numerical tools are used to create a phase field framework that facilitates rapid model development. This framework, called MARMOT, is based on Idaho National Laboratory's finite element Multiphysics Object-Oriented Simulation Environment. In MARMOT, the system of phase field partial differential equations (PDEs) are solved simultaneously with PDEs describing additional physics, such as solid mechanics and heat conduction, using the Jacobian-Free Newton Krylov Method. An object-oriented architecture is created by taking advantage of commonalities in phase fields models to facilitate development of newmore » models with very little written code. In addition, MARMOT provides access to mesh and time step adaptivity, reducing the cost for performing simulations with large disparities in both spatial and temporal scales. In this work, phase separation simulations are used to show the numerical performance of MARMOT. Deformation-induced grain growth and void growth simulations are included to demonstrate the muliphysics capability.« less

Calculating utilization rates for rubber tired grapple skidders in the Southern United States

Treesearch

Jason D. Thompson

2001-01-01

Utilization rate is an important factor in calculating machine rates for forest harvesting machines. Machine rates allow an evaluation of harvesting system costs and facilitate comparisons between different systems and machines. There are many factors that affect utilization rate. These include mechanical delays, non-mechanical delays, operational lost time, and...

Implementing a GPU-based numerical algorithm for modelling dynamics of a high-speed train

NASA Astrophysics Data System (ADS)

Sytov, E. S.; Bratus, A. S.; Yurchenko, D.

2018-04-01

This paper discusses the initiative of implementing a GPU-based numerical algorithm for studying various phenomena associated with dynamics of a high-speed railway transport. The proposed numerical algorithm for calculating a critical speed of the bogie is based on the first Lyapunov number. Numerical algorithm is validated by analytical results, derived for a simple model. A dynamic model of a carriage connected to a new dual-wheelset flexible bogie is studied for linear and dry friction damping. Numerical results obtained by CPU, MPU and GPU approaches are compared and appropriateness of these methods is discussed.

The Golden Ratio: A Golden Opportunity to Investigate Multiple Representations of a Problem.

ERIC Educational Resources Information Center

Dickey, Edwin M.

1993-01-01

This article explores the multiple representations (verbal, algebraic, graphical, and numerical) that can be used to study the golden ratio. Emphasis is placed on using technology (both calculators and computers) to investigate the algebraic, graphical, and numerical representations. (JAF)

Application of multi-grid method on the simulation of incremental forging processes

NASA Astrophysics Data System (ADS)

Ramadan, Mohamad; Khaled, Mahmoud; Fourment, Lionel

2016-10-01

Numerical simulation becomes essential in manufacturing large part by incremental forging processes. It is a splendid tool allowing to show physical phenomena however behind the scenes, an expensive bill should be paid, that is the computational time. That is why many techniques are developed to decrease the computational time of numerical simulation. Multi-Grid method is a numerical procedure that permits to reduce computational time of numerical calculation by performing the resolution of the system of equations on several mesh of decreasing size which allows to smooth faster the low frequency of the solution as well as its high frequency. In this paper a Multi-Grid method is applied to cogging process in the software Forge 3. The study is carried out using increasing number of degrees of freedom. The results shows that calculation time is divide by two for a mesh of 39,000 nodes. The method is promising especially if coupled with Multi-Mesh method.

To construct a stable and tunable optical trap in the focal region of a high numerical aperture lens

NASA Astrophysics Data System (ADS)

Kandasamy, Gokulakrishnan; Ponnan, Suresh; Sivasubramonia Pillai, T. V.; Balasundaram, Rajesh K.

2014-05-01

Based on the diffraction theory, the focusing properties of a radially polarized quadratic Bessel-Gaussian beam (QBG) with on-axis radial phase variance wavefront are investigated theoretically in the focal region of a high numerical aperture (NA) objective lens. The phase wavefront C and pupil beam parameter μ of QBG are the functions of the radial coordinate. The detailed numerical calculation of the focusing property of a QBG beam is presented. The numerical calculation shows that the beam parameter μ and phase parameter C have greater effect on the total electric field intensity distribution. It is observed that under the condition of different μ, evolution principle of focal pattern differs very remarkably on increasing C. Also, some different focal shapes may appear, including rhombic shape, quadrangular shape, two-spherical crust focus shape, two-peak shape, one dark hollow focus, two dark hollow focuses pattern, and triangle dark hollow focus, which find wide optical applications such as optical trapping and nanopatterning.

On the calculation of the complex wavenumber of plane waves in rigid-walled low-Mach-number turbulent pipe flows

NASA Astrophysics Data System (ADS)

Weng, Chenyang; Boij, Susann; Hanifi, Ardeshir

2015-10-01

A numerical method for calculating the wavenumbers of axisymmetric plane waves in rigid-walled low-Mach-number turbulent flows is proposed, which is based on solving the linearized Navier-Stokes equations with an eddy-viscosity model. In addition, theoretical models for the wavenumbers are reviewed, and the main effects (the viscothermal effects, the mean flow convection and refraction effects, the turbulent absorption, and the moderate compressibility effects) which may influence the sound propagation are discussed. Compared to the theoretical models, the proposed numerical method has the advantage of potentially including more effects in the computed wavenumbers. The numerical results of the wavenumbers are compared with the reviewed theoretical models, as well as experimental data from the literature. It shows that the proposed numerical method can give satisfactory prediction of both the real part (phase shift) and the imaginary part (attenuation) of the measured wavenumbers, especially when the refraction effects or the turbulent absorption effects become important.

Numerical investigation of cryogen re-gasification in a plate heat exchanger

NASA Astrophysics Data System (ADS)

Malecha, Ziemowit; Płuszka, Paweł; Brenk, Arkadiusz

2017-12-01

The efficient re-gasification of cryogen is a crucial process in many cryogenic installations. It is especially important in the case of LNG evaporators used in stationary and mobile applications (e.g. marine and land transport). Other gases, like nitrogen or argon can be obtained at highest purity after re-gasification from their liquid states. Plate heat exchangers (PHE) are characterized by a high efficiency. Application of PHE for liquid gas vaporization processes can be beneficial. PHE design and optimization can be significantly supported by numerical modelling. Such calculations are very challenging due to very high computational demands and complexity related to phase change modelling. In the present work, a simplified mathematical model of a two phase flow with phase change was introduced. To ensure fast calculations a simplified two-dimensional (2D) numerical model of a real PHE was developed. It was validated with experimental measurements and finally used for LNG re-gasification modelling. The proposed numerical model showed to be orders of magnitude faster than its full 3D original.

Experimental verification of numerical calculations of railway passenger seats

NASA Astrophysics Data System (ADS)

Ligaj, B.; Wirwicki, M.; Karolewska, K.; Jasińska, A.

2018-04-01

The construction of railway seats is based on industry regulations and the requirements of end users, i.e. passengers. The two main documents in this context are the UIC 566 (3rd Edition, dated 7 January 1994) and the EN 12663-1: 2010+A1:2014. The study was to carry out static load tests of passenger seat frames. The paper presents the construction of the test bench and the results of experimental and numerical studies of passenger seat rail frames. The test bench consists of a frame, a transverse beam, two electric cylinders with a force value of 6 kN, and a strain gauge amplifier. It has a modular structure that allows for its expansion depending on the structure of the seats. Comparing experimental results with numerical results for points A and B allowed to determine the existing differences. It follows from it that higher stress values are obtained by numerical calculations in the range of 0.2 MPa to 35.9 MPa.

Design study of beam position monitors for measuring second-order moments of charged particle beams

NASA Astrophysics Data System (ADS)

Yanagida, Kenichi; Suzuki, Shinsuke; Hanaki, Hirofumi

2012-01-01

This paper presents a theoretical investigation on the multipole moments of charged particle beams in two-dimensional polar coordinates. The theoretical description of multipole moments is based on a single-particle system that is expanded to a multiparticle system by superposition, i.e., summing over all single-particle results. This paper also presents an analysis and design method for a beam position monitor (BPM) that detects higher-order (multipole) moments of a charged particle beam. To calculate the electric fields, a numerical analysis based on the finite difference method was created and carried out. Validity of the numerical analysis was proven by comparing the numerical with the analytical results for a BPM with circular cross section. Six-electrode BPMs with circular and elliptical cross sections were designed for the SPring-8 linac. The results of the numerical calculations show that the second-order moment can be detected for beam sizes ≧420μm (circular) and ≧550μm (elliptical).

Tsunami probability in the Caribbean Region

USGS Publications Warehouse

Parsons, T.; Geist, E.L.

2008-01-01

We calculated tsunami runup probability (in excess of 0.5 m) at coastal sites throughout the Caribbean region. We applied a Poissonian probability model because of the variety of uncorrelated tsunami sources in the region. Coastlines were discretized into 20 km by 20 km cells, and the mean tsunami runup rate was determined for each cell. The remarkable ???500-year empirical record compiled by O'Loughlin and Lander (2003) was used to calculate an empirical tsunami probability map, the first of three constructed for this study. However, it is unclear whether the 500-year record is complete, so we conducted a seismic moment-balance exercise using a finite-element model of the Caribbean-North American plate boundaries and the earthquake catalog, and found that moment could be balanced if the seismic coupling coefficient is c = 0.32. Modeled moment release was therefore used to generate synthetic earthquake sequences to calculate 50 tsunami runup scenarios for 500-year periods. We made a second probability map from numerically-calculated runup rates in each cell. Differences between the first two probability maps based on empirical and numerical-modeled rates suggest that each captured different aspects of tsunami generation; the empirical model may be deficient in primary plate-boundary events, whereas numerical model rates lack backarc fault and landslide sources. We thus prepared a third probability map using Bayesian likelihood functions derived from the empirical and numerical rate models and their attendant uncertainty to weight a range of rates at each 20 km by 20 km coastal cell. Our best-estimate map gives a range of 30-year runup probability from 0 - 30% regionally. ?? irkhaueser 2008.

Numerical investigation on the batch characteristics of liquid encapsulated vertical Bridgman crystal growth

NASA Astrophysics Data System (ADS)

Lan, C. W.; Ting, C. C.

1995-04-01

Since the liquid encapsulated vertical Bridgman (LEVB) crystal growth is a batch process, it is time dependent in nature. A numerical simulation is conducted to study the unsteady features of the process, including the dynamic evolution of heat flow, growth rate, and interface morphology during crystal growth. The numerical model, which is governed by time-dependent equations for momentum and energy transport, and the conditions for evolution of melt/crystal and melt/encapsulant interfaces, is approximated by a body-fitted coordinate finite-volume method. The resulting differential/algebraic equations are then solved by the ILU (0) preconditioned DASPK code. Sample calculations are mainly conducted for GaAs. Dynamic effects of some process parameters, such as the growth speed, the ambient temperature profile, and ampoule design, are illustrated through calculated results. Due to the heat of fusion release and time-dependent end effects, in some cases a near steady-state operation is not possible. The control of growth front by modifying the ambient temperature profile is also demonstrated. Calculations are also performed for a 4.8 cm diameter InP crystal. The calculated melt/seed interface shape is compared with the measured one from Matsumoto et al. [J. Crystal Growth 132 (1993) 348] and they are in good agreement.

Causal impulse response for circular sources in viscous media

PubMed Central

Kelly, James F.; McGough, Robert J.

2008-01-01

The causal impulse response of the velocity potential for the Stokes wave equation is derived for calculations of transient velocity potential fields generated by circular pistons in viscous media. The causal Green’s function is numerically verified using the material impulse response function approach. The causal, lossy impulse response for a baffled circular piston is then calculated within the near field and the far field regions using expressions previously derived for the fast near field method. Transient velocity potential fields in viscous media are computed with the causal, lossy impulse response and compared to results obtained with the lossless impulse response. The numerical error in the computed velocity potential field is quantitatively analyzed for a range of viscous relaxation times and piston radii. Results show that the largest errors are generated in locations near the piston face and for large relaxation times, and errors are relatively small otherwise. Unlike previous frequency-domain methods that require numerical inverse Fourier transforms for the evaluation of the lossy impulse response, the present approach calculates the lossy impulse response directly in the time domain. The results indicate that this causal impulse response is ideal for time-domain calculations that simultaneously account for diffraction and quadratic frequency-dependent attenuation in viscous media. PMID:18397018

Experiences of practice facilitators working on the Improved Delivery of Cardiovascular Care project: Retrospective case study.

PubMed

Liddy, Clare; Rowan, Margo; Valiquette-Tessier, Sophie-Claire; Drosinis, Paul; Crowe, Lois; Hogg, William

2018-01-01

To examine the barriers to and facilitators of practice facilitation experienced by participants in the Improving Delivery of Cardiovascular Care (IDOCC) project. Case studies of practice facilitators' narrative reports. Eastern Ontario. Primary care practices that participated in the IDOCC project. Cases were identified by calculating sum scores in order to determine practices' performance relative to their peers. Two case exemplars were selected that scored within ± 1 SD of the total mean score, and a qualitative analysis of practice facilitators' narrative reports was conducted using a 5-factor implementation framework to identify barriers and facilitators. Narratives were divided into 3 phases: planning, implementation, and sustainability. Barriers and facilitators fluctuated over the intervention's 3 phases. Site A reported more barriers (n = 47) than facilitators (n = 38), while site B reported a roughly equal number of barriers (n = 144) and facilitators (n = 136). In both sites, the most common barriers involved organizational and provider factors and the most common facilitators were associated with innovation and structural factors. Both practices encountered various barriers and facilitators throughout the IDOCC's 3 phases. The case studies reveal the complex interactions of these factors over time, and provide insight into the implementation of practice facilitation programs. Copyright© the College of Family Physicians of Canada.

A possible explanation for foreland thrust propagation

NASA Astrophysics Data System (ADS)

Panian, John; Pilant, Walter

1990-06-01

A common feature of thin-skinned fold and thrust belts is the sequential nature of foreland directed thrust systems. As a rule, younger thrusts develop in the footwalls of older thrusts, the whole sequence propagating towards the foreland in the transport direction. As each new younger thrust develops, the entire sequence is thickened; particularly in the frontal region. The compressive toe region can be likened to an advancing wave; as the mountainous thrust belt advanced the down-surface slope stresses drive thrusts ahead of it much like a surfboard rider. In an attempt to investigate the stresses in the frontal regions of thrustsheets, a numerical method has been devised from the algorithm given by McTigue and Mei [1981]. The algorithm yields a quickly computed approximate solution of the gravity- and tectonic-induced stresses of a two-dimensional homogeneous elastic half-space with an arbitrarily shaped free surface of small slope. A comparison of the numerical method with analytical examples shows excellent agreement. The numerical method was devised because it greatly facilitates the stress calculations and frees one from using the restrictive, simple topographic profiles necessary to obtain an analytical solution. The numerical version of the McTigue and Mei algorithm shows that there is a region of increased maximum resolved shear stress, τ, directly beneath the toe of the overthrust sheet. Utilizing the Mohr-Coulomb failure criterion, predicted fault lines are computed. It is shown that they flatten and become horizontal in some portions of this zone of increased τ. Thrust sheets are known to advance upon weak decollement zones. If there is a coincidence of increased τ, a weak rock layer, and a potential fault line parallel to this weak layer, we have in place all the elements necessary to initiate a new thrusting event. That is, this combination acts as a nucleating center to initiate a new thrusting event. Therefore, thrusts develop in sequence towards the foreland as a consequence of the stress concentrating abilities of the toe of the thrust sheet. The gravity- and tectonic-induced stresses due to the surface topography (usually ignored in previous analyses) of an advancing thrust sheet play a key role in the nature of shallow foreland thrust propagation.

Effect of fire-induced damage on the uniaxial strength characteristics of solid timber: A numerical study

NASA Astrophysics Data System (ADS)

Hopkin, D. J.; El-Rimawi, J.; Lennon, T.; Silberschmidt, V. V.

2011-07-01

The advent of the structural Eurocodes has allowed civil engineers to be more creative in the design of structures exposed to fire. Rather than rely upon regulatory guidance and prescriptive methods engineers are now able to use such codes to design buildings on the basis of credible design fires rather than accepted unrealistic standard-fire time-temperature curves. Through this process safer and more efficient structural designs are achievable. The key development in enabling performance-based fire design is the emergence of validated numerical models capable of predicting the mechanical response of a whole building or sub-assemblies at elevated temperature. In such a way, efficiency savings have been achieved in the design of steel, concrete and composite structures. However, at present, due to a combination of limited fundamental research and restrictions in the UK National Annex to the timber Eurocode, the design of fire-exposed timber structures using numerical modelling techniques is not generally undertaken. The 'fire design' of timber structures is covered in Eurocode 5 part 1.2 (EN 1995-1-2). In this code there is an advanced calculation annex (Annex B) intended to facilitate the implementation of numerical models in the design of fire-exposed timber structures. The properties contained in the code can, at present, only be applied to standard-fire exposure conditions. This is due to existing limitations related to the available thermal properties which are only valid for standard fire exposure. In an attempt to overcome this barrier the authors have proposed a 'modified conductivity model' (MCM) for determining the temperature of timber structural elements during the heating phase of non-standard fires. This is briefly outlined in this paper. In addition, in a further study, the MCM has been implemented in a coupled thermo-mechanical analysis of uniaxially loaded timber elements exposed to non-standard fires. The finite element package DIANA was adopted with plane-strain elements assuming two-dimensional heat flow. The resulting predictions of failure time for given levels of load are discussed and compared with the simplified 'effective cross section' method presented in EN 1995-1-2.

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2014 CFR

2014-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2013 CFR

2013-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2011 CFR

2011-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2010 CFR

2010-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2012 CFR

2012-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

Evidence for an allosteric mechanism of substrate release from membrane-transporter accessory binding proteins.

PubMed

Marinelli, Fabrizio; Kuhlmann, Sonja I; Grell, Ernst; Kunte, Hans-Jörg; Ziegler, Christine; Faraldo-Gómez, José D

2011-12-06

Numerous membrane importers rely on accessory water-soluble proteins to capture their substrates. These substrate-binding proteins (SBP) have a strong affinity for their ligands; yet, substrate release onto the low-affinity membrane transporter must occur for uptake to proceed. It is generally accepted that release is facilitated by the association of SBP and transporter, upon which the SBP adopts a conformation similar to the unliganded state, whose affinity is sufficiently reduced. Despite the appeal of this mechanism, however, direct supporting evidence is lacking. Here, we use experimental and theoretical methods to demonstrate that an allosteric mechanism of enhanced substrate release is indeed plausible. First, we report the atomic-resolution structure of apo TeaA, the SBP of the Na(+)-coupled ectoine TRAP transporter TeaBC from Halomonas elongata DSM2581(T), and compare it with the substrate-bound structure previously reported. Conformational free-energy landscape calculations based upon molecular dynamics simulations are then used to dissect the mechanism that couples ectoine binding to structural change in TeaA. These insights allow us to design a triple mutation that biases TeaA toward apo-like conformations without directly perturbing the binding cleft, thus mimicking the influence of the membrane transporter. Calorimetric measurements demonstrate that the ectoine affinity of the conformationally biased triple mutant is 100-fold weaker than that of the wild type. By contrast, a control mutant predicted to be conformationally unbiased displays wild-type affinity. This work thus demonstrates that substrate release from SBPs onto their membrane transporters can be facilitated by the latter through a mechanism of allosteric modulation of the former.

PlanetPack: A radial-velocity time-series analysis tool facilitating exoplanets detection, characterization, and dynamical simulations

NASA Astrophysics Data System (ADS)

Baluev, Roman V.

2013-08-01

We present PlanetPack, a new software tool that we developed to facilitate and standardize the advanced analysis of radial velocity (RV) data for the goal of exoplanets detection, characterization, and basic dynamical N-body simulations. PlanetPack is a command-line interpreter, that can run either in an interactive mode or in a batch mode of automatic script interpretation. Its major abilities include: (i) advanced RV curve fitting with the proper maximum-likelihood treatment of unknown RV jitter; (ii) user-friendly multi-Keplerian as well as Newtonian N-body RV fits; (iii) use of more efficient maximum-likelihood periodograms that involve the full multi-planet fitting (sometimes called as “residual” or “recursive” periodograms); (iv) easily calculatable parametric 2D likelihood function level contours, reflecting the asymptotic confidence regions; (v) fitting under some useful functional constraints is user-friendly; (vi) basic tasks of short- and long-term planetary dynamical simulation using a fast Everhart-type integrator based on Gauss-Legendre spacings; (vii) fitting the data with red noise (auto-correlated errors); (viii) various analytical and numerical methods for the tasks of determining the statistical significance. It is planned that further functionality may be added to PlanetPack in the future. During the development of this software, a lot of effort was made to improve the calculational speed, especially for CPU-demanding tasks. PlanetPack was written in pure C++ (standard of 1998/2003), and is expected to be compilable and useable on a wide range of platforms.

Using a cellular model to explore human-facilitated spread of risk of EAB in Minnesota

Treesearch

Anantha Prasad; Louis Iverson; Matthew Peters; Steve Matthews

2011-01-01

The Emerald Ash Borer has made inroads to Minnesota in the past two years, killing ash trees. We use our spatially explicit cell based model called EAB-SHIFT to calculate the risk of infestation owing to flight characteristics and short distance movement of the insect (insect flight model, IFM), and the human facilitated agents like roads, campgrounds etc. (insect ride...

Numerical studies on sizing/ rating of plate fin heat exchangers for a modified Claude cycle based helium liquefier/ refrigerator

NASA Astrophysics Data System (ADS)

Goyal, M.; Chakravarty, A.; Atrey, M. D.

2017-02-01

Performance of modern helium refrigeration/ liquefaction systems depends significantly on the effectiveness of heat exchangers. Generally, compact plate fin heat exchangers (PFHE) having very high effectiveness (>0.95) are used in such systems. Apart from basic fluid film resistances, various secondary parameters influence the sizing/ rating of these heat exchangers. In the present paper, sizing calculations are performed, using in-house developed numerical models/ codes, for a set of high effectiveness PFHE for a modified Claude cycle based helium liquefier/ refrigerator operating in the refrigeration mode without liquid nitrogen (LN2) pre-cooling. The combined effects of secondary parameters like axial heat conduction through the heat exchanger metal matrix, parasitic heat in-leak from surroundings and variation in the fluid/ metal properties are taken care of in the sizing calculation. Numerical studies are carried out to predict the off-design performance of the PFHEs in the refrigeration mode with LN2 pre-cooling. Iterative process cycle calculations are also carried out to obtain the inlet/ exit state points of the heat exchangers.

Application of numerical method in calculating the internal rate of return of joint venture investment using diminishing musyarakah model

NASA Astrophysics Data System (ADS)

Ruslan, Siti Zaharah Mohd; Jaffar, Maheran Mohd

2017-05-01

Islamic banking in Malaysia offers variety of products based on Islamic principles. One of the concepts is a diminishing musyarakah. The concept of diminishing musyarakah helps Muslims to avoid transaction which are based on riba. The diminishing musyarakah can be defined as an agreement between capital provider and entrepreneurs that enable entrepreneurs to buy equity in instalments where profits and losses are shared based on agreed ratio. The objective of this paper is to determine the internal rate of return (IRR) for a diminishing musyarakah model by applying a numerical method. There are several numerical methods in calculating the IRR such as by using an interpolation method and a trial and error method by using Microsoft Office Excel. In this paper we use a bisection method and secant method as an alternative way in calculating the IRR. It was found that the diminishing musyarakah model can be adapted in managing the performance of joint venture investments. Therefore, this paper will encourage more companies to use the concept of joint venture in managing their investments performance.

Modeling and characterization of as-welded microstructure of solid solution strengthened Ni-Cr-Fe alloys resistant to ductility-dip cracking part I: Numerical modeling

NASA Astrophysics Data System (ADS)

Unfried-Silgado, Jimy; Ramirez, Antonio J.

2014-03-01

This work aims the numerical modeling and characterization of as-welded microstructure of Ni-Cr-Fe alloys with additions of Nb, Mo and Hf as a key to understand their proven resistance to ductility-dip cracking. Part I deals with as-welded structure modeling, using experimental alloying ranges and Calphad methodology. Model calculates kinetic phase transformations and partitioning of elements during weld solidification using a cooling rate of 100 K.s-1, considering their consequences on solidification mode for each alloy. Calculated structures were compared with experimental observations on as-welded structures, exhibiting good agreement. Numerical calculations estimate an increase by three times of mass fraction of primary carbides precipitation, a substantial reduction of mass fraction of M23C6 precipitates and topologically closed packed phases (TCP), a homogeneously intradendritic distribution, and a slight increase of interdendritic Molybdenum distribution in these alloys. Incidences of metallurgical characteristics of modeled as-welded structures on desirable characteristics of Ni-based alloys resistant to DDC are discussed here.

Numerical simulation of pore pressure changes in levee under flood conditions

NASA Astrophysics Data System (ADS)

Stanisz, Jacek; Borecka, Aleksandra; Pilecki, Zenon; Kaczmarczyk, Robert

2017-11-01

The article discusses the potential for using numerical simulation to assess the development of deformation and pore pressure changes in a levee as a result of the increase and decrease of the flood wave. The simulation made in FLAC 2D did not take into account the filter-erosion deformation associated with seepage in the levee. The simulations were carried out for a field experimental storage consisting of two combined levees, which was constructed with the help of homogeneous cohesive materials with different filtration coefficients. Calculated and measured pore pressure changes were analysed at 4 monitoring points. The water level was increased to 4 m in 96 hours and decreased in 120 hours. The characteristics of the calculated and measured pore pressure changes over time were similar. The maximum values of the calculated and measured pore pressure were almost identical. The only differences were the greater delay of the experimental levee response to changes in water level increase compared to the response of the numerical model. These differences were probably related to filtering-erosion effects during seepage in the levee.

Large calculation of the flow over a hypersonic vehicle using a GPU

NASA Astrophysics Data System (ADS)

Elsen, Erich; LeGresley, Patrick; Darve, Eric

2008-12-01

Graphics processing units are capable of impressive computing performance up to 518 Gflops peak performance. Various groups have been using these processors for general purpose computing; most efforts have focussed on demonstrating relatively basic calculations, e.g. numerical linear algebra, or physical simulations for visualization purposes with limited accuracy. This paper describes the simulation of a hypersonic vehicle configuration with detailed geometry and accurate boundary conditions using the compressible Euler equations. To the authors' knowledge, this is the most sophisticated calculation of this kind in terms of complexity of the geometry, the physical model, the numerical methods employed, and the accuracy of the solution. The Navier-Stokes Stanford University Solver (NSSUS) was used for this purpose. NSSUS is a multi-block structured code with a provably stable and accurate numerical discretization which uses a vertex-based finite-difference method. A multi-grid scheme is used to accelerate the solution of the system. Based on a comparison of the Intel Core 2 Duo and NVIDIA 8800GTX, speed-ups of over 40× were demonstrated for simple test geometries and 20× for complex geometries.

Application of numerical simulation on optimum design of two-dimensional sedimentation tanks in the wastewater treatment plant.

PubMed

Zeng, Guang-Ming; Zhang, Shuo-Fu; Qin, Xiao-Sheng; Huang, Guo-He; Li, Jian-Bing

2003-05-01

The paper establishes the relationship between the settling efficiency and the sizes of the sedimentation tank through the process of numerical simulation, which is taken as one of the constraints to set up a simple optimum designing model of sedimentation tank. The feasibility and advantages of this model based on numerical calculation are verified through the application of practical case.

A simple thermodynamic approach to predict responses from polymer-coated quartz crystal microbalance sensors exposed to organic vapors.

PubMed

Palmas, P; Klingenfus, J; Vedeau, B; Girard, E; Montmeat, P; Hairault, L; Pradier, C M; Méthivier, C

2013-10-15

As of lately, the demand for developing artificial sensors with improved capabilities for the detection of explosives, toxics or drugs has increased. Ideally, sensor devices should provide high sensitivity and give a response that is specific to a given target molecule without being influenced by possible interfering molecules in the atmosphere. These properties strongly depend on the structure of the chemical compound used as a sensitive material. It is thus crucial to select the right compound and this step would be facilitated with the aid of predictive tools. The present investigations have been focused on a family of functionalized polysiloxane polymers deposited on a QCM device, producing only weak interactions compatible with reversible sensors. The quartz frequency variation at equilibrium has been linked to the partition coefficient that was evaluated using a thermodynamic description of the adsorption process. We have shown that the relative responses of two polymers can be directly determined from the Gibbs free enthalpy of mixing as determined from NMR measurements performed on neat liquid mixtures. An equivalence of this term-including both enthalpy and entropy contributions-to the energy interaction term calculated using Hansen solubility coefficients, has been demonstrated previously. These results constitute a basis for the development of a numerical program for calculating equilibrium sensor responses. For small molecules, the adsorption kinetics can be easily accounted for by a Fick diffusion coefficient estimated from the Van der Waals volume. Copyright © 2013 Elsevier B.V. All rights reserved.

Indirect dark matter signatures in the cosmic dark ages. II. Ionization, heating, and photon production from arbitrary energy injections

NASA Astrophysics Data System (ADS)

Slatyer, Tracy R.

2016-01-01

Any injection of electromagnetically interacting particles during the cosmic dark ages will lead to increased ionization, heating, production of Lyman-α photons and distortions to the energy spectrum of the cosmic microwave background, with potentially observable consequences. In this paper we describe numerical results for the low-energy electrons and photons produced by the cooling of particles injected at energies from keV to multi-TeV scales, at arbitrary injection redshifts (but focusing on the post-recombination epoch). We use these data, combined with existing calculations modeling the cooling of these low-energy particles, to estimate the resulting contributions to ionization, excitation and heating of the gas, and production of low-energy photons below the threshold for excitation and ionization. We compute corrected deposition-efficiency curves for annihilating dark matter, and demonstrate how to compute equivalent curves for arbitrary energy-injection histories. These calculations provide the necessary inputs for the limits on dark matter annihilation presented in the accompanying paper I, but also have potential applications in the context of dark matter decay or deexcitation, decay of other metastable species, or similar energy injections from new physics. We make our full results publicly available at http://nebel.rc.fas.harvard.edu/epsilon, to facilitate further independent studies. In particular, we provide the full low-energy electron and photon spectra, to allow matching onto more detailed codes that describe the cooling of such particles at low energies.

An Object-Oriented Computer Code for Aircraft Engine Weight Estimation

NASA Technical Reports Server (NTRS)

Tong, Michael T.; Naylor, Bret A.

2009-01-01

Reliable engine-weight estimation at the conceptual design stage is critical to the development of new aircraft engines. It helps to identify the best engine concept amongst several candidates. At NASA Glenn Research Center (GRC), the Weight Analysis of Turbine Engines (WATE) computer code, originally developed by Boeing Aircraft, has been used to estimate the engine weight of various conceptual engine designs. The code, written in FORTRAN, was originally developed for NASA in 1979. Since then, substantial improvements have been made to the code to improve the weight calculations for most of the engine components. Most recently, to improve the maintainability and extensibility of WATE, the FORTRAN code has been converted into an object-oriented version. The conversion was done within the NASA's NPSS (Numerical Propulsion System Simulation) framework. This enables WATE to interact seamlessly with the thermodynamic cycle model which provides component flow data such as airflows, temperatures, and pressures, etc., that are required for sizing the components and weight calculations. The tighter integration between the NPSS and WATE would greatly enhance system-level analysis and optimization capabilities. It also would facilitate the enhancement of the WATE code for next-generation aircraft and space propulsion systems. In this paper, the architecture of the object-oriented WATE code (or WATE++) is described. Both the FORTRAN and object-oriented versions of the code are employed to compute the dimensions and weight of a 300-passenger aircraft engine (GE90 class). Both versions of the code produce essentially identical results as should be the case.

Evaluation of Tsunami Run-Up on Coastal Areas at Regional Scale

NASA Astrophysics Data System (ADS)

González, M.; Aniel-Quiroga, Í.; Gutiérrez, O.

2017-12-01

Tsunami hazard assessment is tackled by means of numerical simulations, giving as a result, the areas flooded by tsunami wave inland. To get this, some input data is required, i.e., the high resolution topobathymetry of the study area, the earthquake focal mechanism parameters, etc. The computational cost of these kinds of simulations are still excessive. An important restriction for the elaboration of large scale maps at National or regional scale is the reconstruction of high resolution topobathymetry on the coastal zone. An alternative and traditional method consists of the application of empirical-analytical formulations to calculate run-up at several coastal profiles (i.e. Synolakis, 1987), combined with numerical simulations offshore without including coastal inundation. In this case, the numerical simulations are faster but some limitations are added as the coastal bathymetric profiles are very simply idealized. In this work, we present a complementary methodology based on a hybrid numerical model, formed by 2 models that were coupled ad hoc for this work: a non-linear shallow water equations model (NLSWE) for the offshore part of the propagation and a Volume of Fluid model (VOF) for the areas near the coast and inland, applying each numerical scheme where they better reproduce the tsunami wave. The run-up of a tsunami scenario is obtained by applying the coupled model to an ad-hoc numerical flume. To design this methodology, hundreds of worldwide topobathymetric profiles have been parameterized, using 5 parameters (2 depths and 3 slopes). In addition, tsunami waves have been also parameterized by their height and period. As an application of the numerical flume methodology, the coastal parameterized profiles and tsunami waves have been combined to build a populated database of run-up calculations. The combination was tackled by means of numerical simulations in the numerical flume The result is a tsunami run-up database that considers real profiles shape, realistic tsunami waves, and optimized numerical simulations. This database allows the calculation of the run-up of any new tsunami wave by interpolation on the database, in a short period of time, based on the tsunami wave characteristics provided as an output of the NLSWE model along the coast at a large scale domain (regional or National scale).

A Novel Cylindrical Representation for Characterizing Intrinsic Properties of Protein Sequences.

PubMed

Yu, Jia-Feng; Dou, Xiang-Hua; Wang, Hong-Bo; Sun, Xiao; Zhao, Hui-Ying; Wang, Ji-Hua

2015-06-22

The composition and sequence order of amino acid residues are the two most important characteristics to describe a protein sequence. Graphical representations facilitate visualization of biological sequences and produce biologically useful numerical descriptors. In this paper, we propose a novel cylindrical representation by placing the 20 amino acid residue types in a circle and sequence positions along the z axis. This representation allows visualization of the composition and sequence order of amino acids at the same time. Ten numerical descriptors and one weighted numerical descriptor have been developed to quantitatively describe intrinsic properties of protein sequences on the basis of the cylindrical model. Their applications to similarity/dissimilarity analysis of nine ND5 proteins indicated that these numerical descriptors are more effective than several classical numerical matrices. Thus, the cylindrical representation obtained here provides a new useful tool for visualizing and charactering protein sequences. An online server is available at http://biophy.dzu.edu.cn:8080/CNumD/input.jsp .

Video Game Structural Characteristics: A New Psychological Taxonomy

ERIC Educational Resources Information Center

King, Daniel; Delfabbro, Paul; Griffiths, Mark

2010-01-01

Excessive video game playing behaviour may be influenced by a variety of factors including the structural characteristics of video games. Structural characteristics refer to those features inherent within the video game itself that may facilitate initiation, development and maintenance of video game playing over time. Numerous structural…

Preventing Alcohol-Related Problems on Campus: Vandalism.

ERIC Educational Resources Information Center

Epstein, Joel; Finn, Peter

This bulletin provides suggestions for the components of a comprehensive approach to reducing student vandalism on college and university campuses. Numerous facets of the problem are addressed, including: the association of binge drinking with vandalism and school policies that tolerate or even facilitate binge drinking; a school's drinking…

Regulating and facilitating: the role of emotional intelligence in maintaining and using positive affect for creativity.

PubMed

Parke, Michael R; Seo, Myeong-Gu; Sherf, Elad N

2015-05-01

Although past research has identified the effects of emotional intelligence on numerous employee outcomes, the relationship between emotional intelligence and creativity has not been well established. We draw upon affective information processing theory to explain how two facets of emotional intelligence-emotion regulation and emotion facilitation-shape employee creativity. Specifically, we propose that emotion regulation ability enables employees to maintain higher positive affect (PA) when faced with unique knowledge processing requirements, while emotion facilitation ability enables employees to use their PA to enhance their creativity. We find support for our hypotheses using a multimethod (ability test, experience sampling, survey) and multisource (archival, self-reported, supervisor-reported) research design of early career managers across a wide range of jobs. (c) 2015 APA, all rights reserved.

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

Yanai, Takeshi; Fann, George I.; Beylkin, Gregory

Using the fully numerical method for time-dependent Hartree–Fock and density functional theory (TD-HF/DFT) with the Tamm–Dancoff (TD) approximation we use a multiresolution analysis (MRA) approach to present our findings. From a reformulation with effective use of the density matrix operator, we obtain a general form of the HF/DFT linear response equation in the first quantization formalism. It can be readily rewritten as an integral equation with the bound-state Helmholtz (BSH) kernel for the Green's function. The MRA implementation of the resultant equation permits excited state calculations without virtual orbitals. Moreover, the integral equation is efficiently and adaptively solved using amore » numerical multiresolution solver with multiwavelet bases. Our implementation of the TD-HF/DFT methods is applied for calculating the excitation energies of H 2, Be, N 2, H 2O, and C 2H 4 molecules. The numerical errors of the calculated excitation energies converge in proportion to the residuals of the equation in the molecular orbitals and response functions. The energies of the excited states at a variety of length scales ranging from short-range valence excitations to long-range Rydberg-type ones are consistently accurate. It is shown that the multiresolution calculations yield the correct exponential asymptotic tails for the response functions, whereas those computed with Gaussian basis functions are too diffuse or decay too rapidly. Finally, we introduce a simple asymptotic correction to the local spin-density approximation (LSDA) so that in the TDDFT calculations, the excited states are correctly bound.« less

Use of HIT for adverse event reporting in nursing homes: barriers and facilitators.

PubMed

Wagner, Laura M; Castle, Nicholas G; Handler, Steven M

2013-01-01

Approximately 8 million adverse events occur annually in nursing homes (NHs). The focus of this research is to determine barriers and health information technology (HIT)-related facilitators to adverse event reporting among U.S. NHs. Surveys were returned by 399 nursing home administrators using a mailed survey approach. Respondents were asked to report on their adverse event reporting processes focusing on barriers and role of HIT facilitators. About 15% of NHs had computerized entry by the nurse on the unit and almost 18% used no computer technology to track, monitor, or maintain adverse event data. One-third of nursing directors conducted data analysis "by-hand." NHs without HIT were more likely to not be accredited (p = 0.04) and not part of a chain/corporation (p = 0.03). Two of the top three barriers focused on fears of reporting as a barrier. This study found numerous barriers and few HIT-related facilitators to assist with adverse event reporting. Improvements in facilitating adverse event reporting through the use of HIT approaches may be warranted. Copyright © 2013 Mosby, Inc. All rights reserved.

Numerical Green's functions in optical potential calculations for positron scattering from argon and neon

NASA Technical Reports Server (NTRS)

Bartschat, K.; Mceachran, R. P.; Stauffer, A. D.

1990-01-01

An optical potential method was applied to the calculation of positron scattering from the noble gases in order to determine the effect of open excitation channels on the shape of differential scattering cross sections.

Calculation of a coaxial microwave torch

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

Gritsinin, S. I.; Kossyi, I. A.; Kulumbaev, E. B.

2006-10-15

Parameters of an equilibrium microwave discharge in an atmospheric-pressure argon flow in a coaxial waveguide with a truncated inner electrode are calculated numerically by using a self-consistent two-dimensional MHD model. The results obtained agree satisfactorily with the experimental data.

Vibrationally averaged post Born-Oppenheimer isotopic dipole moment calculations approaching spectroscopic accuracy.

PubMed

Arapiraca, A F C; Jonsson, Dan; Mohallem, J R

2011-12-28

We report an upgrade of the Dalton code to include post Born-Oppenheimer nuclear mass corrections in the calculations of (ro-)vibrational averages of molecular properties. These corrections are necessary to achieve an accuracy of 10(-4) debye in the calculations of isotopic dipole moments. Calculations on the self-consistent field level present this accuracy, while numerical instabilities compromise correlated calculations. Applications to HD, ethane, and ethylene isotopologues are implemented, all of them approaching the experimental values.

Conjugate-gradient optimization method for orbital-free density functional calculations.

PubMed

Jiang, Hong; Yang, Weitao

2004-08-01

Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical methodology. In this paper, we developed a conjugate-gradient method for the numerical solution of spin-dependent extended Thomas-Fermi equation by incorporating techniques previously used in Kohn-Sham calculations. The key ingredient of the method is an approximate line-search scheme and a collective treatment of two spin densities in the case of spin-dependent extended Thomas-Fermi problem. Test calculations for a quartic two-dimensional quantum dot system and a three-dimensional sodium cluster Na216 with a local pseudopotential demonstrate that the method is accurate and efficient. (c) 2004 American Institute of Physics.

Implementation of different turbulence model to find proper model to estimate aerodynamic properties of airfoils

NASA Astrophysics Data System (ADS)

Sogukpinar, Haci; Bozkurt, Ismail

2018-02-01

In this paper, aerodynamic calculations of NACA 4 series airfoil of 0012 are performed by using Finite-Volume Method and obtained results are compared with experimental data to correlate the numerical accuracy of CFD approximation. Then other airfoils are simulated with k-ɛ, k-w Spalart-Allmaras and SST model. The governing equations are the Reynolds-Averaged-Navier-Stokes (RANS) equations. The performance of different airfoils (NACA 0008, 0009, 0010, 0012, 0015, 0018, 0021, 0024) at different angle of attack are investigated and compared with most used turbulence models for industrial applications. According to the results of the comparison of numerical calculations and experimental data, k-w and SST models are considered to be closest to experimental results for the calculation of the lift coefficient.

[Magnetic field numerical calculation and analysis for magnetic coupling of centrifugal blood pump for extracorporeal circulation].

PubMed

Hu, Zhaoyan; Lu, Lijun; Zhang, Tianyi; Chen, Zhenglong; Zhang, Tao

2013-12-01

This paper mainly studies the driving system of centrifugal blood pump for extracorporeal circulation, with the core being disc magnetic coupling. Structure parameters of disc magnetic coupling are related to the ability of transferring magnetic torque. Therefore, it is necessary to carry out disc magnetic coupling permanent magnet pole number (n), air gap length (L(g)), permanent magnet thickness (L(m)), permanent magnet body inside diameter (R(i)) and outside diameter (R(o)), etc. thoroughly. This paper adopts the three-dimensional static magnetic field edge element method of Ansys for numerical calculation, and analyses the relations of magnetic coupling each parameter to transmission magnetic torque. It provides a good theory basis and calculation method for further optimization of the disc magnetic coupling.

Numerical method for N electrons bound to a polar quantum dot with a Coulomb impurity

NASA Astrophysics Data System (ADS)

Yau, J. K.; Lee, C. M.

2003-03-01

A numerical method is proposed to calculate the Frohlich Hamiltonian containing N electrons bound to polar quantum dot with a Coulomb impurity without transformation to the coordination frame of the center of mass and by direct diagonalization. As an example to demonstrate the formalism of this method, the low-lying spectra of three interacting electrons bound to an on-center Coulomb impurity, both for accepter and donor, are calculated and analyzed in a polar quantum dot under a perpendicular magnetic field. Taking polaron effect into account, the physical meaning of the phonon-induced terms, both self-square terms and cross terms of the Hamiltonian are discussed. The calculation can also be applied to systems containing particles with opposite charges, such as excitons.

Rapid calculation method for Frenkel-type two-exciton states in one to three dimensions

NASA Astrophysics Data System (ADS)

Ajiki, Hiroshi

2014-07-01

Biexciton and two-exciton dissociated states of Frenkel-type excitons are well described by a tight-binding model with a nearest-neighbor approximation. Such two-exciton states in a finite-size lattice are usually calculated by numerical diagonalization of the Hamiltonian, which requires an increasing amount of computational time and memory as the lattice size increases. I develop here a rapid, memory-saving method to calculate the energies and wave functions of two-exciton states by employing a bisection method. In addition, an attractive interaction between two excitons in the tight-binding model can be obtained directly so that the biexciton energy agrees with the observed energy, without the need for the trial-and-error procedure implemented in the numerical diagonalization method.

Bubble-facilitated VOC transport: Laboratory experiments and numerical modelling

NASA Astrophysics Data System (ADS)

Mumford, K. G.; Soucy, N. C.

2017-12-01

Most conceptual and numerical models of vapor intrusion assume that the transport of volatile organic compounds (VOCs) from the source to near the building foundation is a diffusion-limited processes. However, the transport of VOCs by mobilized gas bubbles through the saturated zone could lead to increased rates of transport and advection through the unsaturated zone, thereby increasing mass flux and risks associated with vapor intrusion. This mobilized gas could be biogenic (methanogenic) but could also result from the partitioning of VOC to trapped atmospheric gases in light non-aqueous phase liquid (LNAPL) smear zones. The potential for bubble-facilitated VOC transport to increase mass flux was investigated in a series of 1D and 2D laboratory experiments. Pentane source zones were emplaced in sand using sequential drainage and imbibition steps to mimic a water table fluctuation and trap air alongside LNAPL residual. This source was placed below an uncontaminated, water saturated sand (occlusion zone) and a gravel-sized (glass beads) unsaturated zone. Water was pumped laterally through the source zone and occlusion zone to deliver the dissolved gases (air) that are required for the expansion of trapped gas bubbles. Images from 2D flow cell experiments were used to demonstrate fluid rearrangement in the source zone and gas expansion to the occlusion zone, and 1D column experiments were used to measure gas-phase pentane mass flux. This flux was found to be 1-2 orders of magnitude greater than that measured in diffusion-dominated control columns, and showed intermittent behavior consistent with bubble transport by repeated expansion, mobilization, coalescence and trapping. Numerical simulation results under a variety of conditions using an approach that couples macroscopic invasion percolation with mass transfer (MIP-MT) between the aqueous and gas phases will also be presented. The results of this study demonstrate the potential for bubble-facilitated transport to increase transport rates linked to vapor intrusion, and will serve as a basis for further development of conceptual and numerical models to investigate the conditions under which this mechanism may play an important role.

Numerical modeling of the destruction of steel plates with a gradient substrate

NASA Astrophysics Data System (ADS)

Orlov, M. Yu.; Glazyrin, V. P.; Orlov, Yu. N.

2017-10-01

The paper presents the results of numerical simulation of the shock loading process of steel barriers with a gradient substrate. In an elastic plastic axisymmetric statement, a shock is simulated along the normal in the range of initial velocities up to 300 m / s. A range of initial velocities was revealed, in which the presence of a substrate "saved" the obstacle from spallation. New tasks were announced to deepen scientific knowledge about the behavior of unidirectional gradient barriers at impact. The results of calculations are obtained in the form of graphs, calculated configurations of the "impact - barrier" and tables.

Spacecraft Charging Calculations: NASCAP-2K and SEE Spacecraft Charging Handbook

NASA Technical Reports Server (NTRS)

Davis, V. A.; Neergaard, L. F.; Mandell, M. J.; Katz, I.; Gardner, B. M.; Hilton, J. M.; Minor, J.

2002-01-01

For fifteen years NASA and the Air Force Charging Analyzer Program for Geosynchronous Orbits (NASCAP/GEO) has been the workhorse of spacecraft charging calculations. Two new tools, the Space Environment and Effects (SEE) Spacecraft Charging Handbook (recently released), and Nascap-2K (under development), use improved numeric techniques and modern user interfaces to tackle the same problem. The SEE Spacecraft Charging Handbook provides first-order, lower-resolution solutions while Nascap-2K provides higher resolution results appropriate for detailed analysis. This paper illustrates how the improvements in the numeric techniques affect the results.

[Numerical simulation of flow fields through porous windbreak in shrubby zone].

PubMed

Wang, Yuan; Zhou, Junli; Xu, Zhong

2003-03-01

By treating the windbreak and shrub with the parameters in a equation, the flow fields through porous windbreak with and without shrub were calculated. The changes in relative wind velocity in horizontal direction, velocity profile and turbulent energy of the section were compared. It is concluded that shrub was very important in windbreak system, which could decrease the wind velocity in front of or some distance in the leeward of the windbreak. The calculated numerical results were compared with the data from wind-tunnel experiment where the influence of shrub on flow field was analyzed.

Analysis of vortex shedding by 2-D numerical simulation for a solid rocket motor and calculations of the nonstationary thrust

NASA Astrophysics Data System (ADS)

Lupoglazoff, N.; Vuillot, F.

Periodic vortex shedding (VS) has been studied by 2-D numerical simulation for the C1 test case in the framework of the ASSM program concerning the stability of the Ariane-5 P230 solid rocket motor. The Flandro method is found to be unsuitable for the type of configuration considered here. The acoustic frequency of VS is a function of the configuration. Calculations of nonstationary thrust indicate that there is no direct relationship between the pressure oscillation amplitudes and the thrust. Secondary injection is found to have a stabilizing effect.

Numerical modeling of interaction of the aircraft engine with concrete protective structures

NASA Astrophysics Data System (ADS)

Radchenko, P. A.; Batuev, S. P.; Radchenko, A. V.; Plevkov, V. S.

2018-01-01

The paper presents numerical modeling results considering interaction of Boeing 747 aircraft engine with nuclear power station protective shell. Protective shell has been given as a reinforced concrete structure with complex scheme of reinforcement. The engine has been simulated by cylinder projectile made from titanium alloy. The interaction velocity has comprised 180 m/s. The simulation is three-dimensional solved by finite element method using the author’s own software package EFES. Fracture and fragmentation of materials have been considered in calculations. Program software has been assessed to be used in calculation of multiple-contact objectives.

Efficient method for the calculation of mean extinction. II. Analyticity of the complex extinction efficiency of homogeneous spheroids and finite cylinders.

PubMed

Xing, Z F; Greenberg, J M

1994-08-20

The analyticity of the complex extinction efficiency is examined numerically in the size-parameter domain for homogeneous prolate and oblate spheroids and finite cylinders. The T-matrix code, which is the most efficient program available to date, is employed to calculate the individual particle-extinction efficiencies. Because of its computational limitations in the size-parameter range, a slightly modified Hilbert-transform algorithm is required to establish the analyticity numerically. The findings concerning analyticity that we reported for spheres (Astrophys. J. 399, 164-175, 1992) apply equally to these nonspherical particles.

Numerical modelling of a fibre reflection filter based on a metal–dielectric diffraction structure with an increased optical damage threshold

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

Terentyev, V S; Simonov, V A

2016-02-28

Numerical modelling demonstrates the possibility of fabricating an all-fibre multibeam two-mirror reflection interferometer based on a metal–dielectric diffraction structure in its front mirror. The calculations were performed using eigenmodes of a double-clad single-mode fibre. The calculation results indicate that, using a metallic layer in the structure of the front mirror of such an interferometer and a diffraction effect, one can reduce the Ohmic loss by a factor of several tens in comparison with a continuous thin metallic film. (laser crystals and braggg ratings)

Analysis of the impact of modification of cold crucible design on the efficiency of the cold crucible induction furnace

NASA Astrophysics Data System (ADS)

Przylucki, R.; Golak, S.; Bulinski, P.; Smolka, J.; Palacz, M.; Siwiec, G.; Lipart, J.; Blacha, L.

2018-05-01

The article includes numerical simulation results for two induction furnace with cold crucible (IFCC). Induction furnaces differ in cold crucible design, while the inductor geometry was preserved for both variants. Numerical simulations were conducted as three dimensional one, with coupled analysis of electromagnetic, thermal and fluid dynamics fields. During the experiment, six calculation variants, differ in amount of molten titanium (three different weights of titanium for each type of cold crucible) were considered. Main parameters controlled during the calculations were: electrical efficiency of the IFCC and the meniscus shape of liquid metal.

A numerical and experimental study of confined swirling jets

NASA Technical Reports Server (NTRS)

Nikjooy, M.; Mongia, H. C.; Samuelsen, G. S.; Mcdonell, V. G.

1989-01-01

A numerical and experimental study of a confined strong swirling flow is presented. Detailed velocity measurements are made using a two-component laser Doppler velocimeter (LDV) technique. Computations are performed using a differential second-moment (DSM) closure. The effect of inlet dissipation rate on calculated mean and turbulence fields is investigated. Various model constants are employed in the pressure-strain model to demonstrate their influences on the predicted results. Finally, comparison of the DSM calculations with the algebraic second-monent (ASM) closure results shows that the DSM is better suited for complex swirling flow analysis.

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

NASA Technical Reports Server (NTRS)

Nixon, D. D.

2001-01-01

Conventional construction of digital dynamic system simulations often involves collecting differential equations that model each subsystem, arran g them to a standard form, and obtaining their numerical gin solution as a single coupled, total-system simultaneous set. Simulation by numerical coupling of independent stand-alone subsimulations is a fundamentally different approach that is attractive because, among other things, the architecture naturally facilitates high fidelity, broad scope, and discipline independence. Recursive feedback is defined and discussed as a candidate approach to multidiscipline dynamic system simulation by numerical coupling of self-contained, single-discipline subsystem simulations. A satellite motion example containing three subsystems (orbit dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Distributed and centralized implementations of coupling have been considered. Numerical results are evaluated by direct comparison with a standard total-system, simultaneous-solution approach.

Numerical techniques for the solution of the compressible Navier-Stokes equations and implementation of turbulence models. [separated turbulent boundary layer flow problems

NASA Technical Reports Server (NTRS)

Baldwin, B. S.; Maccormack, R. W.; Deiwert, G. S.

1975-01-01

The time-splitting explicit numerical method of MacCormack is applied to separated turbulent boundary layer flow problems. Modifications of this basic method are developed to counter difficulties associated with complicated geometry and severe numerical resolution requirements of turbulence model equations. The accuracy of solutions is investigated by comparison with exact solutions for several simple cases. Procedures are developed for modifying the basic method to improve the accuracy. Numerical solutions of high-Reynolds-number separated flows over an airfoil and shock-separated flows over a flat plate are obtained. A simple mixing length model of turbulence is used for the transonic flow past an airfoil. A nonorthogonal mesh of arbitrary configuration facilitates the description of the flow field. For the simpler geometry associated with the flat plate, a rectangular mesh is used, and solutions are obtained based on a two-equation differential model of turbulence.

Cosmic-ray propagation with DRAGON2: I. numerical solver and astrophysical ingredients

NASA Astrophysics Data System (ADS)

Evoli, Carmelo; Gaggero, Daniele; Vittino, Andrea; Di Bernardo, Giuseppe; Di Mauro, Mattia; Ligorini, Arianna; Ullio, Piero; Grasso, Dario

2017-02-01

We present version 2 of the DRAGON code designed for computing realistic predictions of the CR densities in the Galaxy. The code numerically solves the interstellar CR transport equation (including inhomogeneous and anisotropic diffusion, either in space and momentum, advective transport and energy losses), under realistic conditions. The new version includes an updated numerical solver and several models for the astrophysical ingredients involved in the transport equation. Improvements in the accuracy of the numerical solution are proved against analytical solutions and in reference diffusion scenarios. The novel features implemented in the code allow to simulate the diverse scenarios proposed to reproduce the most recent measurements of local and diffuse CR fluxes, going beyond the limitations of the homogeneous galactic transport paradigm. To this end, several applications using DRAGON2 are presented as well. This new version facilitates the users to include their own physical models by means of a modular C++ structure.

The distance effect in numerical memory-updating tasks.

PubMed

Lendínez, Cristina; Pelegrina, Santiago; Lechuga, Teresa

2011-05-01

Two experiments examined the role of numerical distance in updating numerical information in working memory. In the first experiment, participants had to memorize a new number only when it was smaller than a previously memorized number. In the second experiment, updating was based on an external signal, which removed the need to perform any numerical comparison. In both experiments, distance between the memorized number and the new one was manipulated. The results showed that smaller distances between the new and the old information led to shorter updating times. This graded facilitation suggests that the process by which information is substituted in the focus of attention involves maintaining the shared features between the new and the old number activated and selecting other new features to be activated. Thus, the updating cost may be related to amount of new features to be activated in the focus of attention.

Striving for a good standard of maths for potential student nurses.

PubMed

Roberts, Sheila; Campbell, Anne

2017-01-12

This article explores some of the issues surrounding numerical competence for potential pre-registration children's nursing students, with examples of success and failure, at the University of Hertfordshire. With poor numerical ability causing concern in the UK, and the effect of low competence on patient safety when calculating drug dosages in healthcare, this article considers some of the literature surrounding numerical ability, confidence and anxiety, along with considering whether a 'C' grade at GCSE is a suitable marker for assessing numerical competence before starting a pre-registration nursing programme.

Numerical simulations of thermal conductivity in dissipative two-dimensional Yukawa systems.

PubMed

Khrustalyov, Yu V; Vaulina, O S

2012-04-01

Numerical data on the heat transfer constants in two-dimensional Yukawa systems were obtained. Numerical study of the thermal conductivity and diffusivity was carried out for the equilibrium systems with parameters close to conditions of laboratory experiments with dusty plasma. For calculations of heat transfer constants the Green-Kubo formulas were used. The influence of dissipation (friction) on the heat transfer processes in nonideal systems was investigated. The approximation of the coefficient of thermal conductivity is proposed. Comparison of the obtained results to the existing experimental and numerical data is discussed.

A short history of nomograms and tables used for thermal radiation calculations

NASA Astrophysics Data System (ADS)

Stewart, Seán. M.; Johnson, R. Barry

2016-09-01

The theoretical concept of a perfect thermal radiator, the blackbody, was first introduced by the German physicist Gustav Robert Kirchhoff in 1860. By the latter half of the nineteenth century it had become the object of intense theoretical and experimental investigation. While an attempt at trying to theoretically understand the behavior of radiation emitted from a blackbody was undertaken by many eminent physicists of the day, its solution was not found until 1900 when Max Planck put forward his now famous law for thermal radiation. Today, of course, understanding blackbody behavior is vitally important to many fields including infrared systems, illumination, pyrometry, spectroscopy, astronomy, thermal engineering, cryogenics, and meteorology. Mathematically, the form Planck's law takes is rather cumbersome meaning calculations made with it before the advent of modern computers were rather tedious, dramatically slowing the process of computation. Fortunately, during those early days of the twentieth century researchers quickly realized Planck's equation, and the various functions closely related to it, readily lend themselves to being given a graphical, mechanical, or numerically tabulated form for their evaluation. The first of these computational aids to appear were tables. These arose shortly after Planck introduced his equation, were produced in the greatest number, and remained unsurpassed in their level of accuracy compared to all other aids made. It was also not long before nomograms designed to aid thermal radiation calculations appeared. Essentially a printed chart and requiring nothing more than a straightedge to use, nomograms were cheap and extremely easy to use. Facilitating instant answers to a range of quantities relating to thermal radiation, a number were produced and the inventiveness displayed in some was quite remarkable. In this paper we consider the historical development of many of the nomograms and tables developed and used by generations of scientists and engineers before their sudden and irrevocable decline shortly after the arrival of affordable digital computers and hand-held electronic calculators during the mid-1970s. This work represents a continuation of our earlier work on a number of radiation slide rules developed and used for thermal radiation calculations, with all three of these computational aids being the subject of a forthcoming book.

European Credit Transfer and Accumulation System: An Alternative Way to Calculate the ECTS Grades

ERIC Educational Resources Information Center

Grosges, Thomas; Barchiesi, Dominique

2007-01-01

The European Credit Transfer and Accumulation System (ECTS) has been developed and instituted to facilitate student mobility and academic recognition. This paper presents, discusses, and illustrates the pertinence and the limitation of the current statistical distribution of the ECTS grades, and we propose an alternative way to calculate the ECTS…

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

NASA Technical Reports Server (NTRS)

Balasubramanian, R.

1975-01-01

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

[Numerical simulation of the effect of virtual stent release pose on the expansion results].

PubMed

Li, Jing; Peng, Kun; Cui, Xinyang; Fu, Wenyu; Qiao, Aike

2018-04-01

The current finite element analysis of vascular stent expansion does not take into account the effect of the stent release pose on the expansion results. In this study, stent and vessel model were established by Pro/E. Five kinds of finite element assembly models were constructed by ABAQUS, including 0 degree without eccentricity model, 3 degree without eccentricity model, 5 degree without eccentricity model, 0 degree axial eccentricity model and 0 degree radial eccentricity model. These models were divided into two groups of experiments for numerical simulation with respect to angle and eccentricity. The mechanical parameters such as foreshortening rate, radial recoil rate and dog boning rate were calculated. The influence of angle and eccentricity on the numerical simulation was obtained by comparative analysis. Calculation results showed that the residual stenosis rates were 38.3%, 38.4%, 38.4%, 35.7% and 38.2% respectively for the 5 models. The results indicate that the pose has less effect on the numerical simulation results so that it can be neglected when the accuracy of the result is not highly required, and the basic model as 0 degree without eccentricity model is feasible for numerical simulation.

Dual domain material point method for multiphase flows

NASA Astrophysics Data System (ADS)

Zhang, Duan

2017-11-01

Although the particle-in-cell method was first invented in the 60's for fluid computations, one of its later versions, the material point method, is mostly used for solid calculations. Recent development of the multi-velocity formulations for multiphase flows and fluid-structure interactions requires the Lagrangian capability of the method be combined with Eulerian calculations for fluids. Because of different numerical representations of the materials, additional numerical schemes are needed to ensure continuity of the materials. New applications of the method to compute fluid motions have revealed numerical difficulties in various versions of the method. To resolve these difficulties, the dual domain material point method is introduced and improved. Unlike other particle based methods, the material point method uses both Lagrangian particles and Eulerian mesh, therefore it avoids direct communication between particles. With this unique property and the Lagrangian capability of the method, it is shown that a multiscale numerical scheme can be efficiently built based on the dual domain material point method. In this talk, the theoretical foundation of the method will be introduced. Numerical examples will be shown. Work sponsored by the next generation code project of LANL.

An integral equation-based numerical solver for Taylor states in toroidal geometries

NASA Astrophysics Data System (ADS)

O'Neil, Michael; Cerfon, Antoine J.

2018-04-01

We present an algorithm for the numerical calculation of Taylor states in toroidal and toroidal-shell geometries using an analytical framework developed for the solution to the time-harmonic Maxwell equations. Taylor states are a special case of what are known as Beltrami fields, or linear force-free fields. The scheme of this work relies on the generalized Debye source representation of Maxwell fields and an integral representation of Beltrami fields which immediately yields a well-conditioned second-kind integral equation. This integral equation has a unique solution whenever the Beltrami parameter λ is not a member of a discrete, countable set of resonances which physically correspond to spontaneous symmetry breaking. Several numerical examples relevant to magnetohydrodynamic equilibria calculations are provided. Lastly, our approach easily generalizes to arbitrary geometries, both bounded and unbounded, and of varying genus.

Calculation of ionized fields in DC electrostatic precipitators in the presence of dust and electric wind

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

Cristina, S.; Feliziani, M.

1995-11-01

This paper describes a new procedure for the numerical computation of the electric field and current density distributions in a dc electrostatic precipitator in the presence of dust, taking into account the particle-size distribution. Poisson`s and continuity equations are numerically solved by supposing that the coronating conductors satisfy Kaptzov`s assumption on the emitter surfaces. Two iterative numerical procedures, both based on the finite element method (FEM), are implemented for evaluating, respectively, the unknown ionic charge density and the particle charge density distributions. The V-I characteristic and the precipitation efficiencies for the individual particle-size classes, calculated with reference to the pilotmore » precipitator installed by ENEL (Italian Electricity Board) at its Marghera (Venice) coal-fired power station, are found to be very close to those measured experimentally.« less

Surrogates for numerical simulations; optimization of eddy-promoter heat exchangers

NASA Technical Reports Server (NTRS)

Patera, Anthony T.; Patera, Anthony

1993-01-01

Although the advent of fast and inexpensive parallel computers has rendered numerous previously intractable calculations feasible, many numerical simulations remain too resource-intensive to be directly inserted in engineering optimization efforts. An attractive alternative to direct insertion considers models for computational systems: the expensive simulation is evoked only to construct and validate a simplified, input-output model; this simplified input-output model then serves as a simulation surrogate in subsequent engineering optimization studies. A simple 'Bayesian-validated' statistical framework for the construction, validation, and purposive application of static computer simulation surrogates is presented. As an example, dissipation-transport optimization of laminar-flow eddy-promoter heat exchangers are considered: parallel spectral element Navier-Stokes calculations serve to construct and validate surrogates for the flowrate and Nusselt number; these surrogates then represent the originating Navier-Stokes equations in the ensuing design process.

Time domain numerical calculations of unsteady vortical flows about a flat plate airfoil

NASA Technical Reports Server (NTRS)

Hariharan, S. I.; Yu, Ping; Scott, J. R.

1989-01-01

A time domain numerical scheme is developed to solve for the unsteady flow about a flat plate airfoil due to imposed upstream, small amplitude, transverse velocity perturbations. The governing equation for the resulting unsteady potential is a homogeneous, constant coefficient, convective wave equation. Accurate solution of the problem requires the development of approximate boundary conditions which correctly model the physics of the unsteady flow in the far field. A uniformly valid far field boundary condition is developed, and numerical results are presented using this condition. The stability of the scheme is discussed, and the stability restriction for the scheme is established as a function of the Mach number. Finally, comparisons are made with the frequency domain calculation by Scott and Atassi, and the relative strengths and weaknesses of each approach are assessed.

Navier-Stokes simulation of rotor-body flowfield in hover using overset grids

NASA Technical Reports Server (NTRS)

Srinivasan, G. R.; Ahmad, J. U.

1993-01-01

A free-wake Navier-Stokes numerical scheme and multiple Chimera overset grids have been utilized for calculating the quasi-steady hovering flowfield of a Boeing-360 rotor mounted on an axisymmetric whirl-tower. The entire geometry of this rotor-body configuration is gridded-up with eleven different overset grids. The composite grid has 1.3 million grid points for the entire flow domain. The numerical results, obtained using coarse grids and a rigid rotor assumption, show a thrust value that is within 5% of the experimental value at a flow condition of M(sub tip) = 0.63, Theta(sub c) = 8 deg, and Re = 2.5 x 10(exp 6). The numerical method thus demonstrates the feasibility of using a multi-block scheme for calculating the flowfields of complex configurations consisting of rotating and non-rotating components.

TeV Cosmic-Ray Anisotropy from the Magnetic Field at the Heliospheric Boundary

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

López-Barquero, V.; Xu, S.; Desiati, P.

We performed numerical calculations to test the suggestion by Desiati and Lazarian that the anisotropies of TeV cosmic rays may arise from their interactions with the heliosphere. For this purpose, we used a magnetic field model of the heliosphere and performed direct numerical calculations of particle trajectories. Unlike earlier papers testing the idea, we did not employ time-reversible techniques that are based on Liouville’s theorem. We showed numerically that for scattering by the heliosphere, the conditions of Liouville’s theorem are not satisfied, and the adiabatic approximation and time-reversibility of the particle trajectories are not valid. Our results indicate sensitivity tomore » the magnetic structure of the heliospheric magnetic field, and we expect that this will be useful for probing this structure in future research.« less

Two- and three-photon ionization of hydrogen and lithium

NASA Technical Reports Server (NTRS)

Chang, T. N.; Poe, R. T.

1977-01-01

We present the detailed result of a calculation on two- and three-photon ionization of hydrogen and lithium based on a recently proposed calculational method. Our calculation has demonstrated that this method is capable of retaining the numerical advantages enjoyed by most of the existing calculational methods and, at the same time, circumventing their limitations. In particular, we have concentrated our discussion on the relative contribution from the resonant and nonresonant intermediate states.

Using Written-Answer Questions To Complement Numerical Problems. Case Study: A Separation Processes Course.

ERIC Educational Resources Information Center

Iveson, Simon M.

2002-01-01

Describes the process and outcome of including in assignments and examinations some questions requiring written answers along with traditional questions requiring only numerical calculations. Lists questions used in a chemical engineering course on separation processes along with sample responses from students. Student feedback indicates a…

Numerical Processing Efficiency Improved in Experienced Mental Abacus Children

ERIC Educational Resources Information Center

Wang, Yunqi; Geng, Fengji; Hu, Yuzheng; Du, Fenglei; Chen, Feiyan

2013-01-01

Experienced mental abacus (MA) users are able to perform mental arithmetic calculations with unusual speed and accuracy. However, it remains unclear whether their extraordinary gains in mental arithmetic ability are accompanied by an improvement in numerical processing efficiency. To address this question, the present study, using a numerical…

Programmable Numerical Function Generators: Architectures and Synthesis Method

DTIC Science & Technology

2005-08-01

generates HDL (Hardware Descrip- tion Language) code from the design specification described by Scilab [14], a MATLAB-like numerical calculation soft...cad.com/Error-NFG/. [14] Scilab 3.0, INRIA-ENPC, France, http://scilabsoft.inria.fr/ [15] M. J. Schulte and J. E. Stine, “Approximating elementary functions

Improvements to embedded shock wave calculations for transonic flow-applications to wave drag and pressure rise predictions

NASA Technical Reports Server (NTRS)

Seebass, A. R.

1974-01-01

The numerical solution of a single, mixed, nonlinear equation with prescribed boundary data is discussed. A second order numerical procedure for solving the nonlinear equation and a shock fitting scheme was developed to treat the discontinuities that appear in the solution.

Numerical Modelling of Mechanical Properties of C-Pd Film by Homogenization Technique and Finite Element Method

NASA Astrophysics Data System (ADS)

Rymarczyk, Joanna; Kowalczyk, Piotr; Czerwosz, Elzbieta; Bielski, Włodzimierz

2011-09-01

The nanomechanical properties of nanostructural carbonaceous-palladium films are studied. The nanoindentation experiments are numerically using the Finite Element Method. The homogenization theory is applied to compute the properties of the composite material used as the input data for nanoindentation calculations.

Numerical solution for the velocity-derivative skewness of a low-Reynolds-number decaying Navier-Stokes flow

NASA Technical Reports Server (NTRS)

Deissler, Robert G.

1990-01-01

The variation of the velocity-derivative skewness of a Navier-Stokes flow as the Reynolds number goes toward zero is calculated numerically. The value of the skewness, which has been somewhat controversial, is shown to become small at low Reynolds numbers.