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Sample records for accurate numerical models

  1. Fast and Accurate Prediction of Numerical Relativity Waveforms from Binary Black Hole Coalescences Using Surrogate Models

    NASA Astrophysics Data System (ADS)

    Blackman, Jonathan; Field, Scott E.; Galley, Chad R.; Szilágyi, Béla; Scheel, Mark A.; Tiglio, Manuel; Hemberger, Daniel A.

    2015-09-01

    Simulating a binary black hole coalescence by solving Einstein's equations is computationally expensive, requiring days to months of supercomputing time. Using reduced order modeling techniques, we construct an accurate surrogate model, which is evaluated in a millisecond to a second, for numerical relativity (NR) waveforms from nonspinning binary black hole coalescences with mass ratios in [1, 10] and durations corresponding to about 15 orbits before merger. We assess the model's uncertainty and show that our modeling strategy predicts NR waveforms not used for the surrogate's training with errors nearly as small as the numerical error of the NR code. Our model includes all spherical-harmonic -2Yℓm waveform modes resolved by the NR code up to ℓ=8 . We compare our surrogate model to effective one body waveforms from 50 M⊙ to 300 M⊙ for advanced LIGO detectors and find that the surrogate is always more faithful (by at least an order of magnitude in most cases).

  2. Final Report for "Accurate Numerical Models of the Secondary Electron Yield from Grazing-incidence Collisions".

    SciTech Connect

    Seth A Veitzer

    2008-10-21

    Effects of stray electrons are a main factor limiting performance of many accelerators. Because heavy-ion fusion (HIF) accelerators will operate in regimes of higher current and with walls much closer to the beam than accelerators operating today, stray electrons might have a large, detrimental effect on the performance of an HIF accelerator. A primary source of stray electrons is electrons generated when halo ions strike the beam pipe walls. There is some research on these types of secondary electrons for the HIF community to draw upon, but this work is missing one crucial ingredient: the effect of grazing incidence. The overall goal of this project was to develop the numerical tools necessary to accurately model the effect of grazing incidence on the behavior of halo ions in a HIF accelerator, and further, to provide accurate models of heavy ion stopping powers with applications to ICF, WDM, and HEDP experiments.

  3. Fast and Accurate Prediction of Numerical Relativity Waveforms from Binary Black Hole Coalescences Using Surrogate Models.

    PubMed

    Blackman, Jonathan; Field, Scott E; Galley, Chad R; Szilágyi, Béla; Scheel, Mark A; Tiglio, Manuel; Hemberger, Daniel A

    2015-09-18

    Simulating a binary black hole coalescence by solving Einstein's equations is computationally expensive, requiring days to months of supercomputing time. Using reduced order modeling techniques, we construct an accurate surrogate model, which is evaluated in a millisecond to a second, for numerical relativity (NR) waveforms from nonspinning binary black hole coalescences with mass ratios in [1, 10] and durations corresponding to about 15 orbits before merger. We assess the model's uncertainty and show that our modeling strategy predicts NR waveforms not used for the surrogate's training with errors nearly as small as the numerical error of the NR code. Our model includes all spherical-harmonic _{-2}Y_{ℓm} waveform modes resolved by the NR code up to ℓ=8. We compare our surrogate model to effective one body waveforms from 50M_{⊙} to 300M_{⊙} for advanced LIGO detectors and find that the surrogate is always more faithful (by at least an order of magnitude in most cases). PMID:26430979

  4. Physical and Numerical Model Studies of Cross-flow Turbines Towards Accurate Parameterization in Array Simulations

    NASA Astrophysics Data System (ADS)

    Wosnik, M.; Bachant, P.

    2014-12-01

    Cross-flow turbines, often referred to as vertical-axis turbines, show potential for success in marine hydrokinetic (MHK) and wind energy applications, ranging from small- to utility-scale installations in tidal/ocean currents and offshore wind. As turbine designs mature, the research focus is shifting from individual devices to the optimization of turbine arrays. It would be expensive and time-consuming to conduct physical model studies of large arrays at large model scales (to achieve sufficiently high Reynolds numbers), and hence numerical techniques are generally better suited to explore the array design parameter space. However, since the computing power available today is not sufficient to conduct simulations of the flow in and around large arrays of turbines with fully resolved turbine geometries (e.g., grid resolution into the viscous sublayer on turbine blades), the turbines' interaction with the energy resource (water current or wind) needs to be parameterized, or modeled. Models used today--a common model is the actuator disk concept--are not able to predict the unique wake structure generated by cross-flow turbines. This wake structure has been shown to create "constructive" interference in some cases, improving turbine performance in array configurations, in contrast with axial-flow, or horizontal axis devices. Towards a more accurate parameterization of cross-flow turbines, an extensive experimental study was carried out using a high-resolution turbine test bed with wake measurement capability in a large cross-section tow tank. The experimental results were then "interpolated" using high-fidelity Navier--Stokes simulations, to gain insight into the turbine's near-wake. The study was designed to achieve sufficiently high Reynolds numbers for the results to be Reynolds number independent with respect to turbine performance and wake statistics, such that they can be reliably extrapolated to full scale and used for model validation. The end product of

  5. Numerical Computation of a Continuous-thrust State Transition Matrix Incorporating Accurate Hardware and Ephemeris Models

    NASA Technical Reports Server (NTRS)

    Ellison, Donald; Conway, Bruce; Englander, Jacob

    2015-01-01

    A significant body of work exists showing that providing a nonlinear programming (NLP) solver with expressions for the problem constraint gradient substantially increases the speed of program execution and can also improve the robustness of convergence, especially for local optimizers. Calculation of these derivatives is often accomplished through the computation of spacecraft's state transition matrix (STM). If the two-body gravitational model is employed as is often done in the context of preliminary design, closed form expressions for these derivatives may be provided. If a high fidelity dynamics model, that might include perturbing forces such as the gravitational effect from multiple third bodies and solar radiation pressure is used then these STM's must be computed numerically. We present a method for the power hardward model and a full ephemeris model. An adaptive-step embedded eight order Dormand-Prince numerical integrator is discussed and a method for the computation of the time of flight derivatives in this framework is presented. The use of these numerically calculated derivatieves offer a substantial improvement over finite differencing in the context of a global optimizer. Specifically the inclusion of these STM's into the low thrust missiondesign tool chain in use at NASA Goddard Spaceflight Center allows for an increased preliminary mission design cadence.

  6. Towards more accurate numerical modeling of impedance based high frequency harmonic vibration

    NASA Astrophysics Data System (ADS)

    Lim, Yee Yan; Kiong Soh, Chee

    2014-03-01

    The application of smart materials in various fields of engineering has recently become increasingly popular. For instance, the high frequency based electromechanical impedance (EMI) technique employing smart piezoelectric materials is found to be versatile in structural health monitoring (SHM). Thus far, considerable efforts have been made to study and improve the technique. Various theoretical models of the EMI technique have been proposed in an attempt to better understand its behavior. So far, the three-dimensional (3D) coupled field finite element (FE) model has proved to be the most accurate. However, large discrepancies between the results of the FE model and experimental tests, especially in terms of the slope and magnitude of the admittance signatures, continue to exist and are yet to be resolved. This paper presents a series of parametric studies using the 3D coupled field finite element method (FEM) on all properties of materials involved in the lead zirconate titanate (PZT) structure interaction of the EMI technique, to investigate their effect on the admittance signatures acquired. FE model updating is then performed by adjusting the parameters to match the experimental results. One of the main reasons for the lower accuracy, especially in terms of magnitude and slope, of previous FE models is the difficulty in determining the damping related coefficients and the stiffness of the bonding layer. In this study, using the hysteretic damping model in place of Rayleigh damping, which is used by most researchers in this field, and updated bonding stiffness, an improved and more accurate FE model is achieved. The results of this paper are expected to be useful for future study of the subject area in terms of research and application, such as modeling, design and optimization.

  7. An accurate numerical solution to the Saint-Venant-Hirano model for mixed-sediment morphodynamics in rivers

    NASA Astrophysics Data System (ADS)

    Stecca, Guglielmo; Siviglia, Annunziato; Blom, Astrid

    2016-07-01

    We present an accurate numerical approximation to the Saint-Venant-Hirano model for mixed-sediment morphodynamics in one space dimension. Our solution procedure originates from the fully-unsteady matrix-vector formulation developed in [54]. The principal part of the problem is solved by an explicit Finite Volume upwind method of the path-conservative type, by which all the variables are updated simultaneously in a coupled fashion. The solution to the principal part is embedded into a splitting procedure for the treatment of frictional source terms. The numerical scheme is extended to second-order accuracy and includes a bookkeeping procedure for handling the evolution of size stratification in the substrate. We develop a concept of balancedness for the vertical mass flux between the substrate and active layer under bed degradation, which prevents the occurrence of non-physical oscillations in the grainsize distribution of the substrate. We suitably modify the numerical scheme to respect this principle. We finally verify the accuracy in our solution to the equations, and its ability to reproduce one-dimensional morphodynamics due to streamwise and vertical sorting, using three test cases. In detail, (i) we empirically assess the balancedness of vertical mass fluxes under degradation; (ii) we study the convergence to the analytical linearised solution for the propagation of infinitesimal-amplitude waves [54], which is here employed for the first time to assess a mixed-sediment model; (iii) we reproduce Ribberink's E8-E9 flume experiment [46].

  8. Accurate numerical solutions of conservative nonlinear oscillators

    NASA Astrophysics Data System (ADS)

    Khan, Najeeb Alam; Nasir Uddin, Khan; Nadeem Alam, Khan

    2014-12-01

    The objective of this paper is to present an investigation to analyze the vibration of a conservative nonlinear oscillator in the form u" + lambda u + u^(2n-1) + (1 + epsilon^2 u^(4m))^(1/2) = 0 for any arbitrary power of n and m. This method converts the differential equation to sets of algebraic equations and solve numerically. We have presented for three different cases: a higher order Duffing equation, an equation with irrational restoring force and a plasma physics equation. It is also found that the method is valid for any arbitrary order of n and m. Comparisons have been made with the results found in the literature the method gives accurate results.

  9. Accurate multiscale finite element method for numerical simulation of two-phase flow in fractured media using discrete-fracture model

    NASA Astrophysics Data System (ADS)

    Zhang, Na; Yao, Jun; Huang, Zhaoqin; Wang, Yueying

    2013-06-01

    Numerical simulation in naturally fractured media is challenging because of the coexistence of porous media and fractures on multiple scales that need to be coupled. We present a new approach to reservoir simulation that gives accurate resolution of both large-scale and fine-scale flow patterns. Multiscale methods are suitable for this type of modeling, because it enables capturing the large scale behavior of the solution without solving all the small features. Dual-porosity models in view of their strength and simplicity can be mainly used for sugar-cube representation of fractured media. In such a representation, the transfer function between the fracture and the matrix block can be readily calculated for water-wet media. For a mixed-wet system, the evaluation of the transfer function becomes complicated due to the effect of gravity. In this work, we use a multiscale finite element method (MsFEM) for two-phase flow in fractured media using the discrete-fracture model. By combining MsFEM with the discrete-fracture model, we aim towards a numerical scheme that facilitates fractured reservoir simulation without upscaling. MsFEM uses a standard Darcy model to approximate the pressure and saturation on a coarse grid, whereas fine scale effects are captured through basis functions constructed by solving local flow problems using the discrete-fracture model. The accuracy and the robustness of MsFEM are shown through several examples. In the first example, we consider several small fractures in a matrix and then compare the results solved by the finite element method. Then, we use the MsFEM in more complex models. The results indicate that the MsFEM is a promising path toward direct simulation of highly resolution geomodels.

  10. Accurate complex scaling of three dimensional numerical potentials

    SciTech Connect

    Cerioni, Alessandro; Genovese, Luigi; Duchemin, Ivan; Deutsch, Thierry

    2013-05-28

    The complex scaling method, which consists in continuing spatial coordinates into the complex plane, is a well-established method that allows to compute resonant eigenfunctions of the time-independent Schroedinger operator. Whenever it is desirable to apply the complex scaling to investigate resonances in physical systems defined on numerical discrete grids, the most direct approach relies on the application of a similarity transformation to the original, unscaled Hamiltonian. We show that such an approach can be conveniently implemented in the Daubechies wavelet basis set, featuring a very promising level of generality, high accuracy, and no need for artificial convergence parameters. Complex scaling of three dimensional numerical potentials can be efficiently and accurately performed. By carrying out an illustrative resonant state computation in the case of a one-dimensional model potential, we then show that our wavelet-based approach may disclose new exciting opportunities in the field of computational non-Hermitian quantum mechanics.

  11. Higher order accurate partial implicitization: An unconditionally stable fourth-order-accurate explicit numerical technique

    NASA Technical Reports Server (NTRS)

    Graves, R. A., Jr.

    1975-01-01

    The previously obtained second-order-accurate partial implicitization numerical technique used in the solution of fluid dynamic problems was modified with little complication to achieve fourth-order accuracy. The Von Neumann stability analysis demonstrated the unconditional linear stability of the technique. The order of the truncation error was deduced from the Taylor series expansions of the linearized difference equations and was verified by numerical solutions to Burger's equation. For comparison, results were also obtained for Burger's equation using a second-order-accurate partial-implicitization scheme, as well as the fourth-order scheme of Kreiss.

  12. Fast and Accurate Learning When Making Discrete Numerical Estimates.

    PubMed

    Sanborn, Adam N; Beierholm, Ulrik R

    2016-04-01

    Many everyday estimation tasks have an inherently discrete nature, whether the task is counting objects (e.g., a number of paint buckets) or estimating discretized continuous variables (e.g., the number of paint buckets needed to paint a room). While Bayesian inference is often used for modeling estimates made along continuous scales, discrete numerical estimates have not received as much attention, despite their common everyday occurrence. Using two tasks, a numerosity task and an area estimation task, we invoke Bayesian decision theory to characterize how people learn discrete numerical distributions and make numerical estimates. Across three experiments with novel stimulus distributions we found that participants fell between two common decision functions for converting their uncertain representation into a response: drawing a sample from their posterior distribution and taking the maximum of their posterior distribution. While this was consistent with the decision function found in previous work using continuous estimation tasks, surprisingly the prior distributions learned by participants in our experiments were much more adaptive: When making continuous estimates, participants have required thousands of trials to learn bimodal priors, but in our tasks participants learned discrete bimodal and even discrete quadrimodal priors within a few hundred trials. This makes discrete numerical estimation tasks good testbeds for investigating how people learn and make estimates. PMID:27070155

  13. Fast and Accurate Learning When Making Discrete Numerical Estimates

    PubMed Central

    Sanborn, Adam N.; Beierholm, Ulrik R.

    2016-01-01

    Many everyday estimation tasks have an inherently discrete nature, whether the task is counting objects (e.g., a number of paint buckets) or estimating discretized continuous variables (e.g., the number of paint buckets needed to paint a room). While Bayesian inference is often used for modeling estimates made along continuous scales, discrete numerical estimates have not received as much attention, despite their common everyday occurrence. Using two tasks, a numerosity task and an area estimation task, we invoke Bayesian decision theory to characterize how people learn discrete numerical distributions and make numerical estimates. Across three experiments with novel stimulus distributions we found that participants fell between two common decision functions for converting their uncertain representation into a response: drawing a sample from their posterior distribution and taking the maximum of their posterior distribution. While this was consistent with the decision function found in previous work using continuous estimation tasks, surprisingly the prior distributions learned by participants in our experiments were much more adaptive: When making continuous estimates, participants have required thousands of trials to learn bimodal priors, but in our tasks participants learned discrete bimodal and even discrete quadrimodal priors within a few hundred trials. This makes discrete numerical estimation tasks good testbeds for investigating how people learn and make estimates. PMID:27070155

  14. Anatomically accurate individual face modeling.

    PubMed

    Zhang, Yu; Prakash, Edmond C; Sung, Eric

    2003-01-01

    This paper presents a new 3D face model of a specific person constructed from the anatomical perspective. By exploiting the laser range data, a 3D facial mesh precisely representing the skin geometry is reconstructed. Based on the geometric facial mesh, we develop a deformable multi-layer skin model. It takes into account the nonlinear stress-strain relationship and dynamically simulates the non-homogenous behavior of the real skin. The face model also incorporates a set of anatomically-motivated facial muscle actuators and underlying skull structure. Lagrangian mechanics governs the facial motion dynamics, dictating the dynamic deformation of facial skin in response to the muscle contraction. PMID:15455936

  15. Accurate mask model for advanced nodes

    NASA Astrophysics Data System (ADS)

    Zine El Abidine, Nacer; Sundermann, Frank; Yesilada, Emek; Ndiaye, El Hadji Omar; Mishra, Kushlendra; Paninjath, Sankaranarayanan; Bork, Ingo; Buck, Peter; Toublan, Olivier; Schanen, Isabelle

    2014-07-01

    Standard OPC models consist of a physical optical model and an empirical resist model. The resist model compensates the optical model imprecision on top of modeling resist development. The optical model imprecision may result from mask topography effects and real mask information including mask ebeam writing and mask process contributions. For advanced technology nodes, significant progress has been made to model mask topography to improve optical model accuracy. However, mask information is difficult to decorrelate from standard OPC model. Our goal is to establish an accurate mask model through a dedicated calibration exercise. In this paper, we present a flow to calibrate an accurate mask enabling its implementation. The study covers the different effects that should be embedded in the mask model as well as the experiment required to model them.

  16. Toward Scientific Numerical Modeling

    NASA Technical Reports Server (NTRS)

    Kleb, Bil

    2007-01-01

    Ultimately, scientific numerical models need quantified output uncertainties so that modeling can evolve to better match reality. Documenting model input uncertainties and verifying that numerical models are translated into code correctly, however, are necessary first steps toward that goal. Without known input parameter uncertainties, model sensitivities are all one can determine, and without code verification, output uncertainties are simply not reliable. To address these two shortcomings, two proposals are offered: (1) an unobtrusive mechanism to document input parameter uncertainties in situ and (2) an adaptation of the Scientific Method to numerical model development and deployment. Because these two steps require changes in the computational simulation community to bear fruit, they are presented in terms of the Beckhard-Harris-Gleicher change model.

  17. The development of accurate and efficient methods of numerical quadrature

    NASA Technical Reports Server (NTRS)

    Feagin, T.

    1973-01-01

    Some new methods for performing numerical quadrature of an integrable function over a finite interval are described. Each method provides a sequence of approximations of increasing order to the value of the integral. Each approximation makes use of all previously computed values of the integrand. The points at which new values of the integrand are computed are selected in such a way that the order of the approximation is maximized. The methods are compared with the quadrature methods of Clenshaw and Curtis, Gauss, Patterson, and Romberg using several examples.

  18. Accurate numerical solution of compressible, linear stability equations

    NASA Technical Reports Server (NTRS)

    Malik, M. R.; Chuang, S.; Hussaini, M. Y.

    1982-01-01

    The present investigation is concerned with a fourth order accurate finite difference method and its application to the study of the temporal and spatial stability of the three-dimensional compressible boundary layer flow on a swept wing. This method belongs to the class of compact two-point difference schemes discussed by White (1974) and Keller (1974). The method was apparently first used for solving the two-dimensional boundary layer equations. Attention is given to the governing equations, the solution technique, and the search for eigenvalues. A general purpose subroutine is employed for solving a block tridiagonal system of equations. The computer time can be reduced significantly by exploiting the special structure of two matrices.

  19. Pre-Modeling Ensures Accurate Solid Models

    ERIC Educational Resources Information Center

    Gow, George

    2010-01-01

    Successful solid modeling requires a well-organized design tree. The design tree is a list of all the object's features and the sequential order in which they are modeled. The solid-modeling process is faster and less prone to modeling errors when the design tree is a simple and geometrically logical definition of the modeled object. Few high…

  20. New model accurately predicts reformate composition

    SciTech Connect

    Ancheyta-Juarez, J.; Aguilar-Rodriguez, E. )

    1994-01-31

    Although naphtha reforming is a well-known process, the evolution of catalyst formulation, as well as new trends in gasoline specifications, have led to rapid evolution of the process, including: reactor design, regeneration mode, and operating conditions. Mathematical modeling of the reforming process is an increasingly important tool. It is fundamental to the proper design of new reactors and revamp of existing ones. Modeling can be used to optimize operating conditions, analyze the effects of process variables, and enhance unit performance. Instituto Mexicano del Petroleo has developed a model of the catalytic reforming process that accurately predicts reformate composition at the higher-severity conditions at which new reformers are being designed. The new AA model is more accurate than previous proposals because it takes into account the effects of temperature and pressure on the rate constants of each chemical reaction.

  1. Recommendations for Achieving Accurate Numerical Simulation of Tip Clearance Flows in Transonic Compressor Rotors

    NASA Technical Reports Server (NTRS)

    VanZante, Dale E.; Strazisar, Anthony J.; Wood, Jerry R,; Hathaway, Michael D.; Okiishi, Theodore H.

    2000-01-01

    The tip clearance flows of transonic compressor rotors are important because they have a significant impact on rotor and stage performance. While numerical simulations of these flows are quite sophisticated. they are seldom verified through rigorous comparisons of numerical and measured data because these kinds of measurements are rare in the detail necessary to be useful in high-speed machines. In this paper we compare measured tip clearance flow details (e.g. trajectory and radial extent) with corresponding data obtained from a numerical simulation. Recommendations for achieving accurate numerical simulation of tip clearance flows are presented based on this comparison. Laser Doppler Velocimeter (LDV) measurements acquired in a transonic compressor rotor, NASA Rotor 35, are used. The tip clearance flow field of this transonic rotor was simulated using a Navier-Stokes turbomachinery solver that incorporates an advanced k-epsilon turbulence model derived for flows that are not in local equilibrium. Comparison between measured and simulated results indicates that simulation accuracy is primarily dependent upon the ability of the numerical code to resolve important details of a wall-bounded shear layer formed by the relative motion between the over-tip leakage flow and the shroud wall. A simple method is presented for determining the strength of this shear layer.

  2. Accurate modeling of parallel scientific computations

    NASA Technical Reports Server (NTRS)

    Nicol, David M.; Townsend, James C.

    1988-01-01

    Scientific codes are usually parallelized by partitioning a grid among processors. To achieve top performance it is necessary to partition the grid so as to balance workload and minimize communication/synchronization costs. This problem is particularly acute when the grid is irregular, changes over the course of the computation, and is not known until load time. Critical mapping and remapping decisions rest on the ability to accurately predict performance, given a description of a grid and its partition. This paper discusses one approach to this problem, and illustrates its use on a one-dimensional fluids code. The models constructed are shown to be accurate, and are used to find optimal remapping schedules.

  3. The importance of accurate atmospheric modeling

    NASA Astrophysics Data System (ADS)

    Payne, Dylan; Schroeder, John; Liang, Pang

    2014-11-01

    This paper will focus on the effect of atmospheric conditions on EO sensor performance using computer models. We have shown the importance of accurately modeling atmospheric effects for predicting the performance of an EO sensor. A simple example will demonstrated how real conditions for several sites in China will significantly impact on image correction, hyperspectral imaging, and remote sensing. The current state-of-the-art model for computing atmospheric transmission and radiance is, MODTRAN® 5, developed by the US Air Force Research Laboratory and Spectral Science, Inc. Research by the US Air Force, Navy and Army resulted in the public release of LOWTRAN 2 in the early 1970's. Subsequent releases of LOWTRAN and MODTRAN® have continued until the present. Please verify that (1) all pages are present, (2) all figures are correct, (3) all fonts and special characters are correct, and (4) all text and figures fit within the red margin lines shown on this review document. Complete formatting information is available at http://SPIE.org/manuscripts Return to the Manage Active Submissions page at http://spie.org/submissions/tasks.aspx and approve or disapprove this submission. Your manuscript will not be published without this approval. Please contact author_help@spie.org with any questions or concerns. The paper will demonstrate the importance of using validated models and local measured meteorological, atmospheric and aerosol conditions to accurately simulate the atmospheric transmission and radiance. Frequently default conditions are used which can produce errors of as much as 75% in these values. This can have significant impact on remote sensing applications.

  4. Numerical system utilising a Monte Carlo calculation method for accurate dose assessment in radiation accidents.

    PubMed

    Takahashi, F; Endo, A

    2007-01-01

    A system utilising radiation transport codes has been developed to derive accurate dose distributions in a human body for radiological accidents. A suitable model is quite essential for a numerical analysis. Therefore, two tools were developed to setup a 'problem-dependent' input file, defining a radiation source and an exposed person to simulate the radiation transport in an accident with the Monte Carlo calculation codes-MCNP and MCNPX. Necessary resources are defined by a dialogue method with a generally used personal computer for both the tools. The tools prepare human body and source models described in the input file format of the employed Monte Carlo codes. The tools were validated for dose assessment in comparison with a past criticality accident and a hypothesized exposure. PMID:17510203

  5. Recommendations for accurate numerical blood flow simulations of stented intracranial aneurysms.

    PubMed

    Janiga, Gábor; Berg, Philipp; Beuing, Oliver; Neugebauer, Mathias; Gasteiger, Rocco; Preim, Bernhard; Rose, Georg; Skalej, Martin; Thévenin, Dominique

    2013-06-01

    The number of scientific publications dealing with stented intracranial aneurysms is rapidly increasing. Powerful computational facilities are now available; an accurate computational modeling of hemodynamics in patient-specific configurations is, however, still being sought. Furthermore, there is still no general agreement on the quantities that should be computed and on the most adequate analysis for intervention support. In this article, the accurate representation of patient geometry is first discussed, involving successive improvements. Concerning the second step, the mesh required for the numerical simulation is especially challenging when deploying a stent with very fine wire structures. Third, the description of the fluid properties is a major challenge. Finally, a founded quantitative analysis of the simulation results is obviously needed to support interventional decisions. In the present work, an attempt has been made to review the most important steps for a high-quality computational fluid dynamics computation of virtually stented intracranial aneurysms. In consequence, this leads to concrete recommendations, whereby the obtained results are not discussed for their medical relevance but for the evaluation of their quality. This investigation might hopefully be helpful for further studies considering stent deployment in patient-specific geometries, in particular regarding the generation of the most appropriate computational model. PMID:23729530

  6. A novel numerical technique to obtain an accurate solution to the Thomas-Fermi equation

    NASA Astrophysics Data System (ADS)

    Parand, Kourosh; Yousefi, Hossein; Delkhosh, Mehdi; Ghaderi, Amin

    2016-07-01

    In this paper, a new algorithm based on the fractional order of rational Euler functions (FRE) is introduced to study the Thomas-Fermi (TF) model which is a nonlinear singular ordinary differential equation on a semi-infinite interval. This problem, using the quasilinearization method (QLM), converts to the sequence of linear ordinary differential equations to obtain the solution. For the first time, the rational Euler (RE) and the FRE have been made based on Euler polynomials. In addition, the equation will be solved on a semi-infinite domain without truncating it to a finite domain by taking FRE as basic functions for the collocation method. This method reduces the solution of this problem to the solution of a system of algebraic equations. We demonstrated that the new proposed algorithm is efficient for obtaining the value of y'(0) , y(x) and y'(x) . Comparison with some numerical and analytical solutions shows that the present solution is highly accurate.

  7. PolyPole-1: An accurate numerical algorithm for intra-granular fission gas release

    NASA Astrophysics Data System (ADS)

    Pizzocri, D.; Rabiti, C.; Luzzi, L.; Barani, T.; Van Uffelen, P.; Pastore, G.

    2016-09-01

    The transport of fission gas from within the fuel grains to the grain boundaries (intra-granular fission gas release) is a fundamental controlling mechanism of fission gas release and gaseous swelling in nuclear fuel. Hence, accurate numerical solution of the corresponding mathematical problem needs to be included in fission gas behaviour models used in fuel performance codes. Under the assumption of equilibrium between trapping and resolution, the process can be described mathematically by a single diffusion equation for the gas atom concentration in a grain. In this paper, we propose a new numerical algorithm (PolyPole-1) to efficiently solve the fission gas diffusion equation in time-varying conditions. The PolyPole-1 algorithm is based on the analytic modal solution of the diffusion equation for constant conditions, combined with polynomial corrective terms that embody the information on the deviation from constant conditions. The new algorithm is verified by comparing the results to a finite difference solution over a large number of randomly generated operation histories. Furthermore, comparison to state-of-the-art algorithms used in fuel performance codes demonstrates that the accuracy of PolyPole-1 is superior to other algorithms, with similar computational effort. Finally, the concept of PolyPole-1 may be extended to the solution of the general problem of intra-granular fission gas diffusion during non-equilibrium trapping and resolution, which will be the subject of future work.

  8. Numerical Simulation of the 2004 Indian Ocean Tsunami: Accurate Flooding and drying in Banda Aceh

    NASA Astrophysics Data System (ADS)

    Cui, Haiyang; Pietrzak, Julie; Stelling, Guus; Androsov, Alexey; Harig, Sven

    2010-05-01

    The Indian Ocean Tsunami on December 26, 2004 caused one of the largest tsunamis in recent times and led to widespread devastation and loss of life. One of the worst hit regions was Banda Aceh, which is the capital of the Aceh province, located in the northern part of Sumatra, 150km from the source of the earthquake. A German-Indonesian Tsunami Early Warning System (GITEWS) (www.gitews.de) is currently under active development. The work presented here is carried out within the GITEWS framework. One of the aims of this project is the development of accurate models with which to simulate the propagation, flooding and drying, and run-up of a tsunami. In this context, TsunAWI has been developed by the Alfred Wegener Institute; it is an explicit, () finite element model. However, the accurate numerical simulation of flooding and drying requires the conservation of mass and momentum. This is not possible in the current version of TsunAWi. The P1NC - P1element guarantees mass conservation in a global sense, yet as we show here it is important to guarantee mass conservation at the local level, that is within each individual cell. Here an unstructured grid, finite volume ocean model is presented. It is derived from the P1NC - P1 element, and is shown to be mass and momentum conserving. Then a number of simulations are presented, including dam break problems flooding over both a wet and a dry bed. Excellent agreement is found. Then we present simulations for Banda Aceh, and compare the results to on-site survey data, as well as to results from the original TsunAWI code.

  9. An Accurate Temperature Correction Model for Thermocouple Hygrometers 1

    PubMed Central

    Savage, Michael J.; Cass, Alfred; de Jager, James M.

    1982-01-01

    Numerous water relation studies have used thermocouple hygrometers routinely. However, the accurate temperature correction of hygrometer calibration curve slopes seems to have been largely neglected in both psychrometric and dewpoint techniques. In the case of thermocouple psychrometers, two temperature correction models are proposed, each based on measurement of the thermojunction radius and calculation of the theoretical voltage sensitivity to changes in water potential. The first model relies on calibration at a single temperature and the second at two temperatures. Both these models were more accurate than the temperature correction models currently in use for four psychrometers calibrated over a range of temperatures (15-38°C). The model based on calibration at two temperatures is superior to that based on only one calibration. The model proposed for dewpoint hygrometers is similar to that for psychrometers. It is based on the theoretical voltage sensitivity to changes in water potential. Comparison with empirical data from three dewpoint hygrometers calibrated at four different temperatures indicates that these instruments need only be calibrated at, e.g. 25°C, if the calibration slopes are corrected for temperature. PMID:16662241

  10. An accurate temperature correction model for thermocouple hygrometers.

    PubMed

    Savage, M J; Cass, A; de Jager, J M

    1982-02-01

    Numerous water relation studies have used thermocouple hygrometers routinely. However, the accurate temperature correction of hygrometer calibration curve slopes seems to have been largely neglected in both psychrometric and dewpoint techniques.In the case of thermocouple psychrometers, two temperature correction models are proposed, each based on measurement of the thermojunction radius and calculation of the theoretical voltage sensitivity to changes in water potential. The first model relies on calibration at a single temperature and the second at two temperatures. Both these models were more accurate than the temperature correction models currently in use for four psychrometers calibrated over a range of temperatures (15-38 degrees C). The model based on calibration at two temperatures is superior to that based on only one calibration.The model proposed for dewpoint hygrometers is similar to that for psychrometers. It is based on the theoretical voltage sensitivity to changes in water potential. Comparison with empirical data from three dewpoint hygrometers calibrated at four different temperatures indicates that these instruments need only be calibrated at, e.g. 25 degrees C, if the calibration slopes are corrected for temperature. PMID:16662241

  11. Anisotropic Turbulence Modeling for Accurate Rod Bundle Simulations

    SciTech Connect

    Baglietto, Emilio

    2006-07-01

    An improved anisotropic eddy viscosity model has been developed for accurate predictions of the thermal hydraulic performances of nuclear reactor fuel assemblies. The proposed model adopts a non-linear formulation of the stress-strain relationship in order to include the reproduction of the anisotropic phenomena, and in combination with an optimized low-Reynolds-number formulation based on Direct Numerical Simulation (DNS) to produce correct damping of the turbulent viscosity in the near wall region. This work underlines the importance of accurate anisotropic modeling to faithfully reproduce the scale of the turbulence driven secondary flows inside the bundle subchannels, by comparison with various isothermal and heated experimental cases. The very low scale secondary motion is responsible for the increased turbulence transport which produces a noticeable homogenization of the velocity distribution and consequently of the circumferential cladding temperature distribution, which is of main interest in bundle design. Various fully developed bare bundles test cases are shown for different geometrical and flow conditions, where the proposed model shows clearly improved predictions, in close agreement with experimental findings, for regular as well as distorted geometries. Finally the applicability of the model for practical bundle calculations is evaluated through its application in the high-Reynolds form on coarse grids, with excellent results. (author)

  12. Numerical Based Linear Model for Dipole Magnets

    SciTech Connect

    Li,Y.; Krinsky, S.; Rehak, M.

    2009-05-04

    In this paper, we discuss an algorithm for constructing a numerical linear optics model for dipole magnets from a 3D field map. The difference between the numerical model and K. Brown's analytic approach is investigated and clarified. It was found that the optics distortion due to the dipoles' fringe focusing must be properly taken into account to accurately determine the chromaticities. In NSLS-II, there are normal dipoles with 35-mm gap and dipoles for infrared sources with 90-mm gap. This linear model of the dipole magnets is applied to the NSLS-II lattice design to match optics parameters between the DBA cells having dipoles with different gaps.

  13. Numerical modeling of Hall thruster

    SciTech Connect

    Chable, S.; Rogier, F.

    2005-05-16

    A stationary plasma thruster is numerically studied using different levels. An one dimensional modeling is first analyzed and compared with experimental results. A simplified model of oscillations thruster is proposed and used to control the amplitude of oscillations. A two dimensional numerical method is discussed and applied to the computation of the flow in the exhaust.

  14. Orbital Advection by Interpolation: A Fast and Accurate Numerical Scheme for Super-Fast MHD Flows

    SciTech Connect

    Johnson, B M; Guan, X; Gammie, F

    2008-04-11

    In numerical models of thin astrophysical disks that use an Eulerian scheme, gas orbits supersonically through a fixed grid. As a result the timestep is sharply limited by the Courant condition. Also, because the mean flow speed with respect to the grid varies with position, the truncation error varies systematically with position. For hydrodynamic (unmagnetized) disks an algorithm called FARGO has been developed that advects the gas along its mean orbit using a separate interpolation substep. This relaxes the constraint imposed by the Courant condition, which now depends only on the peculiar velocity of the gas, and results in a truncation error that is more nearly independent of position. This paper describes a FARGO-like algorithm suitable for evolving magnetized disks. Our method is second order accurate on a smooth flow and preserves {del} {center_dot} B = 0 to machine precision. The main restriction is that B must be discretized on a staggered mesh. We give a detailed description of an implementation of the code and demonstrate that it produces the expected results on linear and nonlinear problems. We also point out how the scheme might be generalized to make the integration of other supersonic/super-fast flows more efficient. Although our scheme reduces the variation of truncation error with position, it does not eliminate it. We show that the residual position dependence leads to characteristic radial variations in the density over long integrations.

  15. Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations.

    PubMed

    Meek, Garrett A; Levine, Benjamin G

    2014-07-01

    Spikes in the time-derivative coupling (TDC) near surface crossings make the accurate integration of the time-dependent Schrödinger equation in nonadiabatic molecular dynamics simulations a challenge. To address this issue, we present an approximation to the TDC based on a norm-preserving interpolation (NPI) of the adiabatic electronic wave functions within each time step. We apply NPI and two other schemes for computing the TDC in numerical simulations of the Landau-Zener model, comparing the simulated transfer probabilities to the exact solution. Though NPI does not require the analytical calculation of nonadiabatic coupling matrix elements, it consistently yields unsigned population transfer probability errors of ∼0.001, whereas analytical calculation of the TDC yields errors of 0.0-1.0 depending on the time step, the offset of the maximum in the TDC from the beginning of the time step, and the coupling strength. The approximation of Hammes-Schiffer and Tully yields errors intermediate between NPI and the analytical scheme. PMID:26279558

  16. Accurate Critical Stress Intensity Factor Griffith Crack Theory Measurements by Numerical Techniques

    PubMed Central

    Petersen, Richard C.

    2014-01-01

    Critical stress intensity factor (KIc) has been an approximation for fracture toughness using only load-cell measurements. However, artificial man-made cracks several orders of magnitude longer and wider than natural flaws have required a correction factor term (Y) that can be up to about 3 times the recorded experimental value [1-3]. In fact, over 30 years ago a National Academy of Sciences advisory board stated that empirical KIc testing was of serious concern and further requested that an accurate bulk fracture toughness method be found [4]. Now that fracture toughness can be calculated accurately by numerical integration from the load/deflection curve as resilience, work of fracture (WOF) and strain energy release (SIc) [5, 6], KIc appears to be unnecessary. However, the large body of previous KIc experimental test results found in the literature offer the opportunity for continued meta analysis with other more practical and accurate fracture toughness results using energy methods and numerical integration. Therefore, KIc is derived from the classical Griffith Crack Theory [6] to include SIc as a more accurate term for strain energy release rate (𝒢Ic), along with crack surface energy (γ), crack length (a), modulus (E), applied stress (σ), Y, crack-tip plastic zone defect region (rp) and yield strength (σys) that can all be determined from load and deflection data. Polymer matrix discontinuous quartz fiber-reinforced composites to accentuate toughness differences were prepared for flexural mechanical testing comprising of 3 mm fibers at different volume percentages from 0-54.0 vol% and at 28.2 vol% with different fiber lengths from 0.0-6.0 mm. Results provided a new correction factor and regression analyses between several numerical integration fracture toughness test methods to support KIc results. Further, bulk KIc accurate experimental values are compared with empirical test results found in literature. Also, several fracture toughness mechanisms

  17. Numerically Controlled Machining Of Wind-Tunnel Models

    NASA Technical Reports Server (NTRS)

    Kovtun, John B.

    1990-01-01

    New procedure for dynamic models and parts for wind-tunnel tests or radio-controlled flight tests constructed. Involves use of single-phase numerical control (NC) technique to produce highly-accurate, symmetrical models in less time.

  18. Accurate astronomical atmospheric dispersion models in ZEMAX

    NASA Astrophysics Data System (ADS)

    Spanò, P.

    2014-07-01

    ZEMAX provides a standard built-in atmospheric model to simulate atmospheric refraction and dispersion. This model has been compared with other ones to assess its intrinsic accuracy, critical for very demanding application like ADCs for AO-assisted extremely large telescopes. A revised simple model, based on updated published data of the air refractivity, is proposed by using the "Gradient 5" surface of Zemax. At large zenith angles (65 deg), discrepancies up to 100 mas in the differential refraction are expected near the UV atmospheric transmission cutoff. When high-accuracy modeling is required, the latter model should be preferred.

  19. A parallel high-order accurate finite element nonlinear Stokes ice sheet model and benchmark experiments

    SciTech Connect

    Leng, Wei; Ju, Lili; Gunzburger, Max; Price, Stephen; Ringler, Todd

    2012-01-01

    The numerical modeling of glacier and ice sheet evolution is a subject of growing interest, in part because of the potential for models to inform estimates of global sea level change. This paper focuses on the development of a numerical model that determines the velocity and pressure fields within an ice sheet. Our numerical model features a high-fidelity mathematical model involving the nonlinear Stokes system and combinations of no-sliding and sliding basal boundary conditions, high-order accurate finite element discretizations based on variable resolution grids, and highly scalable parallel solution strategies, all of which contribute to a numerical model that can achieve accurate velocity and pressure approximations in a highly efficient manner. We demonstrate the accuracy and efficiency of our model by analytical solution tests, established ice sheet benchmark experiments, and comparisons with other well-established ice sheet models.

  20. Accurate spectral modeling for infrared radiation

    NASA Technical Reports Server (NTRS)

    Tiwari, S. N.; Gupta, S. K.

    1977-01-01

    Direct line-by-line integration and quasi-random band model techniques are employed to calculate the spectral transmittance and total band absorptance of 4.7 micron CO, 4.3 micron CO2, 15 micron CO2, and 5.35 micron NO bands. Results are obtained for different pressures, temperatures, and path lengths. These are compared with available theoretical and experimental investigations. For each gas, extensive tabulations of results are presented for comparative purposes. In almost all cases, line-by-line results are found to be in excellent agreement with the experimental values. The range of validity of other models and correlations are discussed.

  1. Accurate theoretical chemistry with coupled pair models.

    PubMed

    Neese, Frank; Hansen, Andreas; Wennmohs, Frank; Grimme, Stefan

    2009-05-19

    Quantum chemistry has found its way into the everyday work of many experimental chemists. Calculations can predict the outcome of chemical reactions, afford insight into reaction mechanisms, and be used to interpret structure and bonding in molecules. Thus, contemporary theory offers tremendous opportunities in experimental chemical research. However, even with present-day computers and algorithms, we cannot solve the many particle Schrodinger equation exactly; inevitably some error is introduced in approximating the solutions of this equation. Thus, the accuracy of quantum chemical calculations is of critical importance. The affordable accuracy depends on molecular size and particularly on the total number of atoms: for orientation, ethanol has 9 atoms, aspirin 21 atoms, morphine 40 atoms, sildenafil 63 atoms, paclitaxel 113 atoms, insulin nearly 800 atoms, and quaternary hemoglobin almost 12,000 atoms. Currently, molecules with up to approximately 10 atoms can be very accurately studied by coupled cluster (CC) theory, approximately 100 atoms with second-order Møller-Plesset perturbation theory (MP2), approximately 1000 atoms with density functional theory (DFT), and beyond that number with semiempirical quantum chemistry and force-field methods. The overwhelming majority of present-day calculations in the 100-atom range use DFT. Although these methods have been very successful in quantum chemistry, they do not offer a well-defined hierarchy of calculations that allows one to systematically converge to the correct answer. Recently a number of rather spectacular failures of DFT methods have been found-even for seemingly simple systems such as hydrocarbons, fueling renewed interest in wave function-based methods that incorporate the relevant physics of electron correlation in a more systematic way. Thus, it would be highly desirable to fill the gap between 10 and 100 atoms with highly correlated ab initio methods. We have found that one of the earliest (and now

  2. Numerical Modelling of Ground Penetrating Radar Antennas

    NASA Astrophysics Data System (ADS)

    Giannakis, Iraklis; Giannopoulos, Antonios; Pajewski, Lara

    2014-05-01

    Numerical methods are needed in order to solve Maxwell's equations in complicated and realistic problems. Over the years a number of numerical methods have been developed to do so. Amongst them the most popular are the finite element, finite difference implicit techniques, frequency domain solution of Helmontz equation, the method of moments, transmission line matrix method. However, the finite-difference time-domain method (FDTD) is considered to be one of the most attractive choice basically because of its simplicity, speed and accuracy. FDTD first introduced in 1966 by Kane Yee. Since then, FDTD has been established and developed to be a very rigorous and well defined numerical method for solving Maxwell's equations. The order characteristics, accuracy and limitations are rigorously and mathematically defined. This makes FDTD reliable and easy to use. Numerical modelling of Ground Penetrating Radar (GPR) is a very useful tool which can be used in order to give us insight into the scattering mechanisms and can also be used as an alternative approach to aid data interpretation. Numerical modelling has been used in a wide range of GPR applications including archeology, geophysics, forensic, landmine detection etc. In engineering, some applications of numerical modelling include the estimation of the effectiveness of GPR to detect voids in bridges, to detect metal bars in concrete, to estimate shielding effectiveness etc. The main challenges in numerical modelling of GPR for engineering applications are A) the implementation of the dielectric properties of the media (soils, concrete etc.) in a realistic way, B) the implementation of the geometry of the media (soils inhomogeneities, rough surface, vegetation, concrete features like fractures and rock fragments etc.) and C) the detailed modelling of the antenna units. The main focus of this work (which is part of the COST Action TU1208) is the accurate and realistic implementation of GPR antenna units into the FDTD

  3. Numerical models of galactic dynamos

    NASA Astrophysics Data System (ADS)

    Elstner, Detlef

    The state of the art for dynamo models in spiral galaxies is reviewed. The comparison of numerical models with special properties of observed magnetic fields yields constraints for the turbulent diffusivity and the α-effect. The derivation of the turbulence parameters from the vertical structure of the interstellar medium gives quite reasonable values for modelling the regular magnetic fields in galaxies with an α2Ω-dynamo. Considering the differences of the turbulence between spiral arms and interarm regions, the observed interarm magnetic fields are recovered in the numerical models due to the special properties of the α2Ω-dynamo.

  4. Efficient and accurate numerical methods for the Klein-Gordon-Schroedinger equations

    SciTech Connect

    Bao, Weizhu . E-mail: bao@math.nus.edu.sg; Yang, Li . E-mail: yangli@nus.edu.sg

    2007-08-10

    In this paper, we present efficient, unconditionally stable and accurate numerical methods for approximations of the Klein-Gordon-Schroedinger (KGS) equations with/without damping terms. The key features of our methods are based on: (i) the application of a time-splitting spectral discretization for a Schroedinger-type equation in KGS (ii) the utilization of Fourier pseudospectral discretization for spatial derivatives in the Klein-Gordon equation in KGS (iii) the adoption of solving the ordinary differential equations (ODEs) in phase space analytically under appropriate chosen transmission conditions between different time intervals or applying Crank-Nicolson/leap-frog for linear/nonlinear terms for time derivatives. The numerical methods are either explicit or implicit but can be solved explicitly, unconditionally stable, and of spectral accuracy in space and second-order accuracy in time. Moreover, they are time reversible and time transverse invariant when there is no damping terms in KGS, conserve (or keep the same decay rate of) the wave energy as that in KGS without (or with a linear) damping term, keep the same dynamics of the mean value of the meson field, and give exact results for the plane-wave solution. Extensive numerical tests are presented to confirm the above properties of our numerical methods for KGS. Finally, the methods are applied to study solitary-wave collisions in one dimension (1D), as well as dynamics of a 2D problem in KGS.

  5. Towards Accurate Molecular Modeling of Plastic Bonded Explosives

    NASA Astrophysics Data System (ADS)

    Chantawansri, T. L.; Andzelm, J.; Taylor, D.; Byrd, E.; Rice, B.

    2010-03-01

    There is substantial interest in identifying the controlling factors that influence the susceptibility of polymer bonded explosives (PBXs) to accidental initiation. Numerous Molecular Dynamics (MD) simulations of PBXs using the COMPASS force field have been reported in recent years, where the validity of the force field in modeling the solid EM fill has been judged solely on its ability to reproduce lattice parameters, which is an insufficient metric. Performance of the COMPASS force field in modeling EMs and the polymeric binder has been assessed by calculating structural, thermal, and mechanical properties, where only fair agreement with experimental data is obtained. We performed MD simulations using the COMPASS force field for the polymer binder hydroxyl-terminated polybutadiene and five EMs: cyclotrimethylenetrinitramine, 1,3,5,7-tetranitro-1,3,5,7-tetra-azacyclo-octane, 2,4,6,8,10,12-hexantirohexaazazisowurzitane, 2,4,6-trinitro-1,3,5-benzenetriamine, and pentaerythritol tetranitate. Predicted EM crystallographic and molecular structural parameters, as well as calculated properties for the binder will be compared with experimental results for different simulation conditions. We also present novel simulation protocols, which improve agreement between experimental and computation results thus leading to the accurate modeling of PBXs.

  6. Numerical Modelling of Gelating Aerosols

    SciTech Connect

    Babovsky, Hans

    2008-09-01

    The numerical simulation of the gel phase transition of an aerosol system is an interesting and demanding task. Here, we follow an approach first discussed in [6, 8] which turns out as a useful numerical tool. We investigate several improvements and generalizations. In the center of interest are coagulation diffusion systems, where the aerosol dynamics is supplemented with diffusive spreading in physical space. This leads to a variety of scenarios (depending on the coagulation kernel and the diffusion model) for the spatial evolution of the gelation area.

  7. Numerical modeling of nonintrusive inspection systems

    SciTech Connect

    Hall, J.; Morgan, J.; Sale, K.

    1992-12-01

    A wide variety of nonintrusive inspection systems have been proposed in the past several years for the detection of hidden contraband in airline luggage and shipping containers. The majority of these proposed techniques depend on the interaction of radiation with matter to produce a signature specific to the contraband of interest, whether drugs or explosives. In the authors` role as diagnostic specialists in the Underground Test Program over the past forty years, L-Division of the Lawrence Livermore National Laboratory has developed a technique expertise in the combined numerical and experimental modeling of these types of system. Based on their experience, they are convinced that detailed numerical modeling provides a much more accurate estimate of the actual performance of complex experiments than simple analytical modeling. Furthermore, the construction of detailed numerical prototypes allows experimenters to explore the entire region of parameter space available to them before committing their ideas to hardware. This sort of systematic analysis has often led to improved experimental designs and reductions in fielding costs. L-Division has developed an extensive suite of computer codes to model proposed experiments and possible background interactions. These codes allow one to simulate complex radiation sources, model 3-dimensional system geometries with {open_quotes}real world{close_quotes} complexity, specify detailed elemental distributions, and predict the response of almost any type of detector. In this work several examples are presented illustrating the use of these codes in modeling experimental systems at LLNL and their potential usefulness in evaluating nonintrusive inspection systems is discussed.

  8. Earthquake Rupture Dynamics using Adaptive Mesh Refinement and High-Order Accurate Numerical Methods

    NASA Astrophysics Data System (ADS)

    Kozdon, J. E.; Wilcox, L.

    2013-12-01

    Our goal is to develop scalable and adaptive (spatial and temporal) numerical methods for coupled, multiphysics problems using high-order accurate numerical methods. To do so, we are developing an opensource, parallel library known as bfam (available at http://bfam.in). The first application to be developed on top of bfam is an earthquake rupture dynamics solver using high-order discontinuous Galerkin methods and summation-by-parts finite difference methods. In earthquake rupture dynamics, wave propagation in the Earth's crust is coupled to frictional sliding on fault interfaces. This coupling is two-way, required the simultaneous simulation of both processes. The use of laboratory-measured friction parameters requires near-fault resolution that is 4-5 orders of magnitude higher than that needed to resolve the frequencies of interest in the volume. This, along with earlier simulations using a low-order, finite volume based adaptive mesh refinement framework, suggest that adaptive mesh refinement is ideally suited for this problem. The use of high-order methods is motivated by the high level of resolution required off the fault in earlier the low-order finite volume simulations; we believe this need for resolution is a result of the excessive numerical dissipation of low-order methods. In bfam spatial adaptivity is handled using the p4est library and temporal adaptivity will be accomplished through local time stepping. In this presentation we will present the guiding principles behind the library as well as verification of code against the Southern California Earthquake Center dynamic rupture code validation test problems.

  9. Numerical modeling of vertical cavity semiconductor lasers

    SciTech Connect

    Chow, W.W.; Hadley, G.R.

    1996-08-01

    A vertical cavity surface emitting laser (VCSEL) is a diode laser whose optical cavity is formed by growing or depositing DBR mirror stacks that sandwich an active gain region. The resulting short cavity supports lasing into a single longitudinal mode normal to the wafer, making these devices ideal for a multitude of applications, ranging from high-speed communication to high-power sources (from 2D arrays). This report describes the development of a numerical VCSEL model, whose goal is to both further their understanding of these complex devices and provide a tool for accurate design and data analysis.

  10. Material Models for Accurate Simulation of Sheet Metal Forming and Springback

    NASA Astrophysics Data System (ADS)

    Yoshida, Fusahito

    2010-06-01

    For anisotropic sheet metals, modeling of anisotropy and the Bauschinger effect is discussed in the framework of Yoshida-Uemori kinematic hardening model incorporating with anisotropic yield functions. The performances of the models in predicting yield loci, cyclic stress-strain responses on several types of steel and aluminum sheets are demonstrated by comparing the numerical simulation results with the corresponding experimental observations. From some examples of FE simulation of sheet metal forming and springback, it is concluded that modeling of both the anisotropy and the Bauschinger effect is essential for the accurate numerical simulation.

  11. Comprehensive numerical modelling of tokamaks

    SciTech Connect

    Cohen, R.H.; Cohen, B.I.; Dubois, P.F.

    1991-01-03

    We outline a plan for the development of a comprehensive numerical model of tokamaks. The model would consist of a suite of independent, communicating packages describing the various aspects of tokamak performance (core and edge transport coefficients and profiles, heating, fueling, magnetic configuration, etc.) as well as extensive diagnostics. These codes, which may run on different computers, would be flexibly linked by a user-friendly shell which would allow run-time specification of packages and generation of pre- and post-processing functions, including workstation-based visualization of output. One package in particular, the calculation of core transport coefficients via gyrokinetic particle simulation, will become practical on the scale required for comprehensive modelling only with the advent of teraFLOP computers. Incremental effort at LLNL would be focused on gyrokinetic simulation and development of the shell.

  12. Numerical models of complex diapirs

    NASA Astrophysics Data System (ADS)

    Podladchikov, Yu.; Talbot, C.; Poliakov, A. N. B.

    1993-12-01

    Numerically modelled diapirs that rise into overburdens with viscous rheology produce a large variety of shapes. This work uses the finite-element method to study the development of diapirs that rise towards a surface on which a diapir-induced topography creeps flat or disperses ("erodes") at different rates. Slow erosion leads to diapirs with "mushroom" shapes, moderate erosion rate to "wine glass" diapirs and fast erosion to "beer glass"- and "column"-shaped diapirs. The introduction of a low-viscosity layer at the top of the overburden causes diapirs to develop into structures resembling a "Napoleon hat". These spread lateral sheets.

  13. Numerical methods used in fusion science numerical modeling

    NASA Astrophysics Data System (ADS)

    Yagi, M.

    2015-04-01

    The dynamics of burning plasma is very complicated physics, which is dominated by multi-scale and multi-physics phenomena. To understand such phenomena, numerical simulations are indispensable. Fundamentals of numerical methods used in fusion science numerical modeling are briefly discussed in this paper. In addition, the parallelization technique such as open multi processing (OpenMP) and message passing interface (MPI) parallel programing are introduced and the loop-level parallelization is shown as an example.

  14. Differential-equation-based representation of truncation errors for accurate numerical simulation

    NASA Astrophysics Data System (ADS)

    MacKinnon, Robert J.; Johnson, Richard W.

    1991-09-01

    High-order compact finite difference schemes for 2D convection-diffusion-type differential equations with constant and variable convection coefficients are derived. The governing equations are employed to represent leading truncation terms, including cross-derivatives, making the overall O(h super 4) schemes conform to a 3 x 3 stencil. It is shown that the two-dimensional constant coefficient scheme collapses to the optimal scheme for the one-dimensional case wherein the finite difference equation yields nodally exact results. The two-dimensional schemes are tested against standard model problems, including a Navier-Stokes application. Results show that the two schemes are generally more accurate, on comparable grids, than O(h super 2) centered differencing and commonly used O(h) and O(h super 3) upwinding schemes.

  15. Numerical Modeling of Ocean Circulation

    NASA Astrophysics Data System (ADS)

    Miller, Robert N.

    2007-01-01

    The modelling of ocean circulation is important not only for its own sake, but also in terms of the prediction of weather patterns and the effects of climate change. This book introduces the basic computational techniques necessary for all models of the ocean and atmosphere, and the conditions they must satisfy. It describes the workings of ocean models, the problems that must be solved in their construction, and how to evaluate computational results. Major emphasis is placed on examining ocean models critically, and determining what they do well and what they do poorly. Numerical analysis is introduced as needed, and exercises are included to illustrate major points. Developed from notes for a course taught in physical oceanography at the College of Oceanic and Atmospheric Sciences at Oregon State University, this book is ideal for graduate students of oceanography, geophysics, climatology and atmospheric science, and researchers in oceanography and atmospheric science. Features examples and critical examination of ocean modelling and results Demonstrates the strengths and weaknesses of different approaches Includes exercises to illustrate major points and supplement mathematical and physical details

  16. Water wave model with accurate dispersion and vertical vorticity

    NASA Astrophysics Data System (ADS)

    Bokhove, Onno

    2010-05-01

    Cotter and Bokhove (Journal of Engineering Mathematics 2010) derived a variational water wave model with accurate dispersion and vertical vorticity. In one limit, it leads to Luke's variational principle for potential flow water waves. In the another limit it leads to the depth-averaged shallow water equations including vertical vorticity. Presently, focus will be put on the Hamiltonian formulation of the variational model and its boundary conditions.

  17. TOPICA: an accurate and efficient numerical tool for analysis and design of ICRF antennas

    NASA Astrophysics Data System (ADS)

    Lancellotti, V.; Milanesio, D.; Maggiora, R.; Vecchi, G.; Kyrytsya, V.

    2006-07-01

    The demand for a predictive tool to help in designing ion-cyclotron radio frequency (ICRF) antenna systems for today's fusion experiments has driven the development of codes such as ICANT, RANT3D, and the early development of TOPICA (TOrino Polytechnic Ion Cyclotron Antenna) code. This paper describes the substantive evolution of TOPICA formulation and implementation that presently allow it to handle the actual geometry of ICRF antennas (with curved, solid straps, a general-shape housing, Faraday screen, etc) as well as an accurate plasma description, accounting for density and temperature profiles and finite Larmor radius effects. The antenna is assumed to be housed in a recess-like enclosure. Both goals have been attained by formally separating the problem into two parts: the vacuum region around the antenna and the plasma region inside the toroidal chamber. Field continuity and boundary conditions allow formulating of a set of two coupled integral equations for the unknown equivalent (current) sources; then the equations are reduced to a linear system by a method of moments solution scheme employing 2D finite elements defined over a 3D non-planar surface triangular-cell mesh. In the vacuum region calculations are done in the spatial (configuration) domain, whereas in the plasma region a spectral (wavenumber) representation of fields and currents is adopted, thus permitting a description of the plasma by a surface impedance matrix. Owing to this approach, any plasma model can be used in principle, and at present the FELICE code has been employed. The natural outcomes of TOPICA are the induced currents on the conductors (antenna, housing, etc) and the electric field in front of the plasma, whence the antenna circuit parameters (impedance/scattering matrices), the radiated power and the fields (at locations other than the chamber aperture) are then obtained. An accurate model of the feeding coaxial lines is also included. The theoretical model and its TOPICA

  18. An Accurate and Dynamic Computer Graphics Muscle Model

    NASA Technical Reports Server (NTRS)

    Levine, David Asher

    1997-01-01

    A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.

  19. Modeling Biodegradation and Reactive Transport: Analytical and Numerical Models

    SciTech Connect

    Sun, Y; Glascoe, L

    2005-06-09

    The computational modeling of the biodegradation of contaminated groundwater systems accounting for biochemical reactions coupled to contaminant transport is a valuable tool for both the field engineer/planner with limited computational resources and the expert computational researcher less constrained by time and computer power. There exists several analytical and numerical computer models that have been and are being developed to cover the practical needs put forth by users to fulfill this spectrum of computational demands. Generally, analytical models provide rapid and convenient screening tools running on very limited computational power, while numerical models can provide more detailed information with consequent requirements of greater computational time and effort. While these analytical and numerical computer models can provide accurate and adequate information to produce defensible remediation strategies, decisions based on inadequate modeling output or on over-analysis can have costly and risky consequences. In this chapter we consider both analytical and numerical modeling approaches to biodegradation and reactive transport. Both approaches are discussed and analyzed in terms of achieving bioremediation goals, recognizing that there is always a tradeoff between computational cost and the resolution of simulated systems.

  20. Accurate FDTD modelling for dispersive media using rational function and particle swarm optimisation

    NASA Astrophysics Data System (ADS)

    Chung, Haejun; Ha, Sang-Gyu; Choi, Jaehoon; Jung, Kyung-Young

    2015-07-01

    This article presents an accurate finite-difference time domain (FDTD) dispersive modelling suitable for complex dispersive media. A quadratic complex rational function (QCRF) is used to characterise their dispersive relations. To obtain accurate coefficients of QCRF, in this work, we use an analytical approach and a particle swarm optimisation (PSO) simultaneously. In specific, an analytical approach is used to obtain the QCRF matrix-solving equation and PSO is applied to adjust a weighting function of this equation. Numerical examples are used to illustrate the validity of the proposed FDTD dispersion model.

  1. The use of experimental bending tests to more accurate numerical description of TBC damage process

    NASA Astrophysics Data System (ADS)

    Sadowski, T.; Golewski, P.

    2016-04-01

    Thermal barrier coatings (TBCs) have been extensively used in aircraft engines to protect critical engine parts such as blades and combustion chambers, which are exposed to high temperatures and corrosive environment. The blades of turbine engines are additionally exposed to high mechanical loads. These loads are created by the high rotational speed of the rotor (30 000 rot/min), causing the tensile and bending stresses. Therefore, experimental testing of coated samples is necessary in order to determine strength properties of TBCs. Beam samples with dimensions 50×10×2 mm were used in those studies. The TBC system consisted of 150 μm thick bond coat (NiCoCrAlY) and 300 μm thick top coat (YSZ) made by APS (air plasma spray) process. Samples were tested by three-point bending test with various loads. After bending tests, the samples were subjected to microscopic observation to determine the quantity of cracks and their depth. The above mentioned results were used to build numerical model and calibrate material data in Abaqus program. Brittle cracking damage model was applied for the TBC layer, which allows to remove elements after reaching criterion. Surface based cohesive behavior was used to model the delamination which may occur at the boundary between bond coat and top coat.

  2. A time-accurate adaptive grid method and the numerical simulation of a shock-vortex interaction

    NASA Technical Reports Server (NTRS)

    Bockelie, Michael J.; Eiseman, Peter R.

    1990-01-01

    A time accurate, general purpose, adaptive grid method is developed that is suitable for multidimensional steady and unsteady numerical simulations. The grid point movement is performed in a manner that generates smooth grids which resolve the severe solution gradients and the sharp transitions in the solution gradients. The temporal coupling of the adaptive grid and the PDE solver is performed with a grid prediction correction method that is simple to implement and ensures the time accuracy of the grid. Time accurate solutions of the 2-D Euler equations for an unsteady shock vortex interaction demonstrate the ability of the adaptive method to accurately adapt the grid to multiple solution features.

  3. Numerical modeling of explosions for nuclear monitoring

    NASA Astrophysics Data System (ADS)

    Stevens, J. L.

    2014-12-01

    Monitoring the Earth for underground nuclear explosions requires a detailed understanding of the explosion source. In this context, "source" refers to the source of seismic waves, and it is generated by the complex nonlinear near-source motion that accompanies the nuclear explosion. In particular, nuclear monitoring requires understanding the transition from the hydrodynamic to elastic regimes, and propagation of waveforms from the source to stations at distances of hundreds to thousands of kilometers. In the transition region, shear strength is critically important, as are changes in shear strength as the shock wave propagates. Numerical modeling using 1D spherically symmetric, 2D axisymmetric and full 3D calculations provides important insights into the seismic source and the waveforms it generates. Important considerations for numerical modeling include emplacement conditions (tamped or in a cavity), source type (chemical or nuclear), material models for strength and strength reduction, and geologic conditions including topography and tectonic stresses in the source region. In addition to calculating the near source ground motion, we propagate the near source solution to regional and teleseismic distances where the observations of seismic signals from nuclear explosions are made. The objectives of nuclear monitoring are detection of seismic events (earthquakes, quarry blasts and other sources in addition to nuclear explosions), accurate location of these events, discrimination of nuclear explosions from other types of sources, and estimation of nuclear explosion yield. Numerical modeling is particularly important for discrimination and yield estimation. Numerical modeling is used to understand unexpected anomalies that occur, such as the large surface waves generated by the three North Korean nuclear tests, which may have been caused by a difference in tectonic stress state between North Korea and other test sites. Another important issue that can be addressed

  4. Numerical Modeling of Nanoelectronic Devices

    NASA Technical Reports Server (NTRS)

    Klimeck, Gerhard; Oyafuso, Fabiano; Bowen, R. Chris; Boykin, Timothy

    2003-01-01

    Nanoelectronic Modeling 3-D (NEMO 3-D) is a computer program for numerical modeling of the electronic structure properties of a semiconductor device that is embodied in a crystal containing as many as 16 million atoms in an arbitrary configuration and that has overall dimensions of the order of tens of nanometers. The underlying mathematical model represents the quantummechanical behavior of the device resolved to the atomistic level of granularity. The system of electrons in the device is represented by a sparse Hamiltonian matrix that contains hundreds of millions of terms. NEMO 3-D solves the matrix equation on a Beowulf-class cluster computer, by use of a parallel-processing matrix vector multiplication algorithm coupled to a Lanczos and/or Rayleigh-Ritz algorithm that solves for eigenvalues. In a recent update of NEMO 3-D, a new strain treatment, parameterized for bulk material properties of GaAs and InAs, was developed for two tight-binding submodels. The utility of the NEMO 3-D was demonstrated in an atomistic analysis of the effects of disorder in alloys and, in particular, in bulk In(x)Ga(l-x)As and in In0.6Ga0.4As quantum dots.

  5. Numerical Poisson-Boltzmann Model for Continuum Membrane Systems.

    PubMed

    Botello-Smith, Wesley M; Liu, Xingping; Cai, Qin; Li, Zhilin; Zhao, Hongkai; Luo, Ray

    2013-01-01

    Membrane protein systems are important computational research topics due to their roles in rational drug design. In this study, we developed a continuum membrane model utilizing a level set formulation under the numerical Poisson-Boltzmann framework within the AMBER molecular mechanics suite for applications such as protein-ligand binding affinity and docking pose predictions. Two numerical solvers were adapted for periodic systems to alleviate possible edge effects. Validation on systems ranging from organic molecules to membrane proteins up to 200 residues, demonstrated good numerical properties. This lays foundations for sophisticated models with variable dielectric treatments and second-order accurate modeling of solvation interactions. PMID:23439886

  6. Local Debonding and Fiber Breakage in Composite Materials Modeled Accurately

    NASA Technical Reports Server (NTRS)

    Bednarcyk, Brett A.; Arnold, Steven M.

    2001-01-01

    A prerequisite for full utilization of composite materials in aerospace components is accurate design and life prediction tools that enable the assessment of component performance and reliability. Such tools assist both structural analysts, who design and optimize structures composed of composite materials, and materials scientists who design and optimize the composite materials themselves. NASA Glenn Research Center's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) software package (http://www.grc.nasa.gov/WWW/LPB/mac) addresses this need for composite design and life prediction tools by providing a widely applicable and accurate approach to modeling composite materials. Furthermore, MAC/GMC serves as a platform for incorporating new local models and capabilities that are under development at NASA, thus enabling these new capabilities to progress rapidly to a stage in which they can be employed by the code's end users.

  7. More-Accurate Model of Flows in Rocket Injectors

    NASA Technical Reports Server (NTRS)

    Hosangadi, Ashvin; Chenoweth, James; Brinckman, Kevin; Dash, Sanford

    2011-01-01

    An improved computational model for simulating flows in liquid-propellant injectors in rocket engines has been developed. Models like this one are needed for predicting fluxes of heat in, and performances of, the engines. An important part of predicting performance is predicting fluctuations of temperature, fluctuations of concentrations of chemical species, and effects of turbulence on diffusion of heat and chemical species. Customarily, diffusion effects are represented by parameters known in the art as the Prandtl and Schmidt numbers. Prior formulations include ad hoc assumptions of constant values of these parameters, but these assumptions and, hence, the formulations, are inaccurate for complex flows. In the improved model, these parameters are neither constant nor specified in advance: instead, they are variables obtained as part of the solution. Consequently, this model represents the effects of turbulence on diffusion of heat and chemical species more accurately than prior formulations do, and may enable more-accurate prediction of mixing and flows of heat in rocket-engine combustion chambers. The model has been implemented within CRUNCH CFD, a proprietary computational fluid dynamics (CFD) computer program, and has been tested within that program. The model could also be implemented within other CFD programs.

  8. On the importance of having accurate data for astrophysical modelling

    NASA Astrophysics Data System (ADS)

    Lique, Francois

    2016-06-01

    The Herschel telescope and the ALMA and NOEMA interferometers have opened new windows of observation for wavelengths ranging from far infrared to sub-millimeter with spatial and spectral resolutions previously unmatched. To make the most of these observations, an accurate knowledge of the physical and chemical processes occurring in the interstellar and circumstellar media is essential.In this presentation, I will discuss what are the current needs of astrophysics in terms of molecular data and I will show that accurate molecular data are crucial for the proper determination of the physical conditions in molecular clouds.First, I will focus on collisional excitation studies that are needed for molecular lines modelling beyond the Local Thermodynamic Equilibrium (LTE) approach. In particular, I will show how new collisional data for the HCN and HNC isomers, two tracers of star forming conditions, have allowed solving the problem of their respective abundance in cold molecular clouds. I will also present the last collisional data that have been computed in order to analyse new highly resolved observations provided by the ALMA interferometer.Then, I will present the calculation of accurate rate constants for the F+H2 → HF+H and Cl+H2 ↔ HCl+H reactions, which have allowed a more accurate determination of the physical conditions in diffuse molecular clouds. I will also present the recent work on the ortho-para-H2 conversion due to hydrogen exchange that allow more accurate determination of the ortho-to-para-H2 ratio in the universe and that imply a significant revision of the cooling mechanism in astrophysical media.

  9. Accurate method of modeling cluster scaling relations in modified gravity

    NASA Astrophysics Data System (ADS)

    He, Jian-hua; Li, Baojiu

    2016-06-01

    We propose a new method to model cluster scaling relations in modified gravity. Using a suite of nonradiative hydrodynamical simulations, we show that the scaling relations of accumulated gas quantities, such as the Sunyaev-Zel'dovich effect (Compton-y parameter) and the x-ray Compton-y parameter, can be accurately predicted using the known results in the Λ CDM model with a precision of ˜3 % . This method provides a reliable way to analyze the gas physics in modified gravity using the less demanding and much more efficient pure cold dark matter simulations. Our results therefore have important theoretical and practical implications in constraining gravity using cluster surveys.

  10. Evaluation of wave runup predictions from numerical and parametric models

    USGS Publications Warehouse

    Stockdon, Hilary F.; Thompson, David M.; Plant, Nathaniel G.; Long, Joseph W.

    2014-01-01

    Wave runup during storms is a primary driver of coastal evolution, including shoreline and dune erosion and barrier island overwash. Runup and its components, setup and swash, can be predicted from a parameterized model that was developed by comparing runup observations to offshore wave height, wave period, and local beach slope. Because observations during extreme storms are often unavailable, a numerical model is used to simulate the storm-driven runup to compare to the parameterized model and then develop an approach to improve the accuracy of the parameterization. Numerically simulated and parameterized runup were compared to observations to evaluate model accuracies. The analysis demonstrated that setup was accurately predicted by both the parameterized model and numerical simulations. Infragravity swash heights were most accurately predicted by the parameterized model. The numerical model suffered from bias and gain errors that depended on whether a one-dimensional or two-dimensional spatial domain was used. Nonetheless, all of the predictions were significantly correlated to the observations, implying that the systematic errors can be corrected. The numerical simulations did not resolve the incident-band swash motions, as expected, and the parameterized model performed best at predicting incident-band swash heights. An assimilated prediction using a weighted average of the parameterized model and the numerical simulations resulted in a reduction in prediction error variance. Finally, the numerical simulations were extended to include storm conditions that have not been previously observed. These results indicated that the parameterized predictions of setup may need modification for extreme conditions; numerical simulations can be used to extend the validity of the parameterized predictions of infragravity swash; and numerical simulations systematically underpredict incident swash, which is relatively unimportant under extreme conditions.

  11. Third-order-accurate numerical methods for efficient, large time-step solutions of mixed linear and nonlinear problems

    SciTech Connect

    Cobb, J.W.

    1995-02-01

    There is an increasing need for more accurate numerical methods for large-scale nonlinear magneto-fluid turbulence calculations. These methods should not only increase the current state of the art in terms of accuracy, but should also continue to optimize other desired properties such as simplicity, minimized computation, minimized memory requirements, and robust stability. This includes the ability to stably solve stiff problems with long time-steps. This work discusses a general methodology for deriving higher-order numerical methods. It also discusses how the selection of various choices can affect the desired properties. The explicit discussion focuses on third-order Runge-Kutta methods, including general solutions and five examples. The study investigates the linear numerical analysis of these methods, including their accuracy, general stability, and stiff stability. Additional appendices discuss linear multistep methods, discuss directions for further work, and exhibit numerical analysis results for some other commonly used lower-order methods.

  12. Accurate pressure gradient calculations in hydrostatic atmospheric models

    NASA Technical Reports Server (NTRS)

    Carroll, John J.; Mendez-Nunez, Luis R.; Tanrikulu, Saffet

    1987-01-01

    A method for the accurate calculation of the horizontal pressure gradient acceleration in hydrostatic atmospheric models is presented which is especially useful in situations where the isothermal surfaces are not parallel to the vertical coordinate surfaces. The present method is shown to be exact if the potential temperature lapse rate is constant between the vertical pressure integration limits. The technique is applied to both the integration of the hydrostatic equation and the computation of the slope correction term in the horizontal pressure gradient. A fixed vertical grid and a dynamic grid defined by the significant levels in the vertical temperature distribution are employed.

  13. Mouse models of human AML accurately predict chemotherapy response

    PubMed Central

    Zuber, Johannes; Radtke, Ina; Pardee, Timothy S.; Zhao, Zhen; Rappaport, Amy R.; Luo, Weijun; McCurrach, Mila E.; Yang, Miao-Miao; Dolan, M. Eileen; Kogan, Scott C.; Downing, James R.; Lowe, Scott W.

    2009-01-01

    The genetic heterogeneity of cancer influences the trajectory of tumor progression and may underlie clinical variation in therapy response. To model such heterogeneity, we produced genetically and pathologically accurate mouse models of common forms of human acute myeloid leukemia (AML) and developed methods to mimic standard induction chemotherapy and efficiently monitor therapy response. We see that murine AMLs harboring two common human AML genotypes show remarkably diverse responses to conventional therapy that mirror clinical experience. Specifically, murine leukemias expressing the AML1/ETO fusion oncoprotein, associated with a favorable prognosis in patients, show a dramatic response to induction chemotherapy owing to robust activation of the p53 tumor suppressor network. Conversely, murine leukemias expressing MLL fusion proteins, associated with a dismal prognosis in patients, are drug-resistant due to an attenuated p53 response. Our studies highlight the importance of genetic information in guiding the treatment of human AML, functionally establish the p53 network as a central determinant of chemotherapy response in AML, and demonstrate that genetically engineered mouse models of human cancer can accurately predict therapy response in patients. PMID:19339691

  14. Mouse models of human AML accurately predict chemotherapy response.

    PubMed

    Zuber, Johannes; Radtke, Ina; Pardee, Timothy S; Zhao, Zhen; Rappaport, Amy R; Luo, Weijun; McCurrach, Mila E; Yang, Miao-Miao; Dolan, M Eileen; Kogan, Scott C; Downing, James R; Lowe, Scott W

    2009-04-01

    The genetic heterogeneity of cancer influences the trajectory of tumor progression and may underlie clinical variation in therapy response. To model such heterogeneity, we produced genetically and pathologically accurate mouse models of common forms of human acute myeloid leukemia (AML) and developed methods to mimic standard induction chemotherapy and efficiently monitor therapy response. We see that murine AMLs harboring two common human AML genotypes show remarkably diverse responses to conventional therapy that mirror clinical experience. Specifically, murine leukemias expressing the AML1/ETO fusion oncoprotein, associated with a favorable prognosis in patients, show a dramatic response to induction chemotherapy owing to robust activation of the p53 tumor suppressor network. Conversely, murine leukemias expressing MLL fusion proteins, associated with a dismal prognosis in patients, are drug-resistant due to an attenuated p53 response. Our studies highlight the importance of genetic information in guiding the treatment of human AML, functionally establish the p53 network as a central determinant of chemotherapy response in AML, and demonstrate that genetically engineered mouse models of human cancer can accurately predict therapy response in patients. PMID:19339691

  15. An accurate model potential for alkali neon systems.

    PubMed

    Zanuttini, D; Jacquet, E; Giglio, E; Douady, J; Gervais, B

    2009-12-01

    We present a detailed investigation of the ground and lowest excited states of M-Ne dimers, for M=Li, Na, and K. We show that the potential energy curves of these Van der Waals dimers can be obtained accurately by considering the alkali neon systems as one-electron systems. Following previous authors, the model describes the evolution of the alkali valence electron in the combined potentials of the alkali and neon cores by means of core polarization pseudopotentials. The key parameter for an accurate model is the M(+)-Ne potential energy curve, which was obtained by means of ab initio CCSD(T) calculation using a large basis set. For each MNe dimer, a systematic comparison with ab initio computation of the potential energy curve for the X, A, and B states shows the remarkable accuracy of the model. The vibrational analysis and the comparison with existing experimental data strengthens this conclusion and allows for a precise assignment of the vibrational levels. PMID:19968334

  16. Turbulence Models for Accurate Aerothermal Prediction in Hypersonic Flows

    NASA Astrophysics Data System (ADS)

    Zhang, Xiang-Hong; Wu, Yi-Zao; Wang, Jiang-Feng

    Accurate description of the aerodynamic and aerothermal environment is crucial to the integrated design and optimization for high performance hypersonic vehicles. In the simulation of aerothermal environment, the effect of viscosity is crucial. The turbulence modeling remains a major source of uncertainty in the computational prediction of aerodynamic forces and heating. In this paper, three turbulent models were studied: the one-equation eddy viscosity transport model of Spalart-Allmaras, the Wilcox k-ω model and the Menter SST model. For the k-ω model and SST model, the compressibility correction, press dilatation and low Reynolds number correction were considered. The influence of these corrections for flow properties were discussed by comparing with the results without corrections. In this paper the emphasis is on the assessment and evaluation of the turbulence models in prediction of heat transfer as applied to a range of hypersonic flows with comparison to experimental data. This will enable establishing factor of safety for the design of thermal protection systems of hypersonic vehicle.

  17. Numerical modeling of bubble dynamics in magmas

    NASA Astrophysics Data System (ADS)

    Huber, Christian; Su, Yanqing; Parmigiani, Andrea

    2014-05-01

    Understanding the complex non-linear physics that governs volcanic eruptions is contingent on our ability to characterize the dynamics of bubbles and its effect on the ascending magma. The exsolution and migration of bubbles has also a great impact on the heat and mass transport in and out of magma bodies stored at shallow depths in the crust. Multiphase systems like magmas are by definition heterogeneous at small scales. Although mixture theory or homogenization methods are convenient to represent multiphase systems as a homogeneous equivalent media, these approaches do not inform us on possible feedbacks at the pore-scale and can be significantly misleading. In this presentation, we discuss the development and application of bubble-scale multiphase flow modeling to address the following questions : How do bubbles impact heat and mass transport in magma chambers ? How efficient are chemical exchanges between the melt and bubbles during magma decompression? What is the role of hydrodynamic interactions on the deformation of bubbles while the magma is sheared? Addressing these questions requires powerful numerical methods that accurately model the balance between viscous, capillary and pressure stresses. We discuss how these bubble-scale models can provide important constraints on the dynamics of magmas stored at shallow depth or ascending to the surface during an eruption.

  18. AN ACCURATE AND EFFICIENT ALGORITHM FOR NUMERICAL SIMULATION OF CONDUCTION-TYPE PROBLEMS. (R824801)

    EPA Science Inventory

    Abstract

    A modification of the finite analytic numerical method for conduction-type (diffusion) problems is presented. The finite analytic discretization scheme is derived by means of the Fourier series expansion for the most general case of nonuniform grid and variabl...

  19. NUMERICAL MODELS FOR PREDICTING WATERSHED ACIDIFICATION

    EPA Science Inventory

    Three numerical models of watershed acidification, including the MAGIC II, ETD, and ILWAS models, are reviewed, and a comparative study is made of the specific process formulations that are incorporated in the models to represent hydrological, geochemical, and biogeochemical proc...

  20. Numerical characterization and modeling of adiabatic slot film cooling

    NASA Astrophysics Data System (ADS)

    Voegele, Andrew

    Film cooling is a technique used to protect critical surfaces in combustors, thrust chambers, turbines and nozzles from hot, chemically reacting gases. Accurately predicting the film's performance is especially challenging in the vicinity of the wall and the film injection plane due to the complex interactions of two highly turbulent, shearing, boundary layer flows. Properly characterizing the streams at the inlet of a numerical simulation and the choice of turbulence model are crucial to accurately predicting the decay of the film. To address these issues, this study employs a RANS solver that is used to model a film cooled wall. Menter's baseline model, and shear-stress transport model and the Spalart-Allmaras model are employed to determine the effect on film cooling predictions. Several methods for prescribing the inlet planes are explored. These numerical studies are compared with experimental data obtained in a UMD film cooling wind tunnel.

  1. Accurate numerical verification of the instanton method for macroscopic quantum tunneling: Dynamics of phase slips

    SciTech Connect

    Danshita, Ippei; Polkovnikov, Anatoli

    2010-09-01

    We study the quantum dynamics of supercurrents of one-dimensional Bose gases in a ring optical lattice to verify instanton methods applied to coherent macroscopic quantum tunneling (MQT). We directly simulate the real-time quantum dynamics of supercurrents, where a coherent oscillation between two macroscopically distinct current states occurs due to MQT. The tunneling rate extracted from the coherent oscillation is compared with that given by the instanton method. We find that the instanton method is quantitatively accurate when the effective Planck's constant is sufficiently small. We also find phase slips associated with the oscillations.

  2. Sheet Hydroforming Process Numerical Model Improvement Through Experimental Results Analysis

    NASA Astrophysics Data System (ADS)

    Gabriele, Papadia; Antonio, Del Prete; Alfredo, Anglani

    2010-06-01

    The increasing application of numerical simulation in metal forming field has helped engineers to solve problems one after another to manufacture a qualified formed product reducing the required time [1]. Accurate simulation results are fundamental for the tooling and the product designs. The wide application of numerical simulation is encouraging the development of highly accurate simulation procedures to meet industrial requirements. Many factors can influence the final simulation results and many studies have been carried out about materials [2], yield criteria [3] and plastic deformation [4,5], process parameters [6] and their optimization. In order to develop a reliable hydromechanical deep drawing (HDD) numerical model the authors have been worked out specific activities based on the evaluation of the effective stiffness of the blankholder structure [7]. In this paper after an appropriate tuning phase of the blankholder force distribution, the experimental activity has been taken into account to improve the accuracy of the numerical model. In the first phase, the effective capability of the blankholder structure to transfer the applied load given by hydraulic actuators to the blank has been explored. This phase ended with the definition of an appropriate subdivision of the blankholder active surface in order to take into account the effective pressure map obtained for the given loads configuration. In the second phase the numerical results obtained with the developed subdivision have been compared with the experimental data of the studied model. The numerical model has been then improved, finding the best solution for the blankholder force distribution.

  3. Generating Facial Expressions Using an Anatomically Accurate Biomechanical Model.

    PubMed

    Wu, Tim; Hung, Alice; Mithraratne, Kumar

    2014-11-01

    This paper presents a computational framework for modelling the biomechanics of human facial expressions. A detailed high-order (Cubic-Hermite) finite element model of the human head was constructed using anatomical data segmented from magnetic resonance images. The model includes a superficial soft-tissue continuum consisting of skin, the subcutaneous layer and the superficial Musculo-Aponeurotic system. Embedded within this continuum mesh, are 20 pairs of facial muscles which drive facial expressions. These muscles were treated as transversely-isotropic and their anatomical geometries and fibre orientations were accurately depicted. In order to capture the relative composition of muscles and fat, material heterogeneity was also introduced into the model. Complex contact interactions between the lips, eyelids, and between superficial soft tissue continuum and deep rigid skeletal bones were also computed. In addition, this paper investigates the impact of incorporating material heterogeneity and contact interactions, which are often neglected in similar studies. Four facial expressions were simulated using the developed model and the results were compared with surface data obtained from a 3D structured-light scanner. Predicted expressions showed good agreement with the experimental data. PMID:26355331

  4. Nonspinning numerical relativity waveform surrogates: Building the model

    NASA Astrophysics Data System (ADS)

    Galley, Chad

    2015-04-01

    Simulating binary black hole coalescences involves solving Einstein's equations with large-scale computing resources that can take months to complete for a single numerical solution. This engenders a computationally intractable problem for multiple-query applications related to parameter space exploration, data analysis for gravitational wave detectors like LIGO, and semi-analytical waveform fits. I discuss how reduced order modeling techniques are used to build accurate surrogates that can be evaluated quickly in place of numerically solving Einstein's equations for generating gravitational waveforms of nonspinning binary black hole coalescences. To within error, the surrogate can model all modes available from a numerical simulation including, for example, troublesome modes such as the (3,2) mode and memory modes. A companion talk will cover quantifying the best surrogate model's errors. The results of this work represent a significant advance by making it possible to use numerical relativity waveforms for multiple-query applications.

  5. Numerical Methodology for Coupled Time-Accurate Simulations of Primary and Secondary Flowpaths in Gas Turbines

    NASA Technical Reports Server (NTRS)

    Przekwas, A. J.; Athavale, M. M.; Hendricks, R. C.; Steinetz, B. M.

    2006-01-01

    Detailed information of the flow-fields in the secondary flowpaths and their interaction with the primary flows in gas turbine engines is necessary for successful designs with optimized secondary flow streams. Present work is focused on the development of a simulation methodology for coupled time-accurate solutions of the two flowpaths. The secondary flowstream is treated using SCISEAL, an unstructured adaptive Cartesian grid code developed for secondary flows and seals, while the mainpath flow is solved using TURBO, a density based code with capability of resolving rotor-stator interaction in multi-stage machines. An interface is being tested that links the two codes at the rim seal to allow data exchange between the two codes for parallel, coupled execution. A description of the coupling methodology and the current status of the interface development is presented. Representative steady-state solutions of the secondary flow in the UTRC HP Rig disc cavity are also presented.

  6. Inverter Modeling For Accurate Energy Predictions Of Tracking HCPV Installations

    NASA Astrophysics Data System (ADS)

    Bowman, J.; Jensen, S.; McDonald, Mark

    2010-10-01

    High efficiency high concentration photovoltaic (HCPV) solar plants of megawatt scale are now operational, and opportunities for expanded adoption are plentiful. However, effective bidding for sites requires reliable prediction of energy production. HCPV module nameplate power is rated for specific test conditions; however, instantaneous HCPV power varies due to site specific irradiance and operating temperature, and is degraded by soiling, protective stowing, shading, and electrical connectivity. These factors interact with the selection of equipment typically supplied by third parties, e.g., wire gauge and inverters. We describe a time sequence model accurately accounting for these effects that predicts annual energy production, with specific reference to the impact of the inverter on energy output and interactions between system-level design decisions and the inverter. We will also show two examples, based on an actual field design, of inverter efficiency calculations and the interaction between string arrangements and inverter selection.

  7. Accurate, low-cost 3D-models of gullies

    NASA Astrophysics Data System (ADS)

    Onnen, Nils; Gronz, Oliver; Ries, Johannes B.; Brings, Christine

    2015-04-01

    Soil erosion is a widespread problem in arid and semi-arid areas. The most severe form is the gully erosion. They often cut into agricultural farmland and can make a certain area completely unproductive. To understand the development and processes inside and around gullies, we calculated detailed 3D-models of gullies in the Souss Valley in South Morocco. Near Taroudant, we had four study areas with five gullies different in size, volume and activity. By using a Canon HF G30 Camcorder, we made varying series of Full HD videos with 25fps. Afterwards, we used the method Structure from Motion (SfM) to create the models. To generate accurate models maintaining feasible runtimes, it is necessary to select around 1500-1700 images from the video, while the overlap of neighboring images should be at least 80%. In addition, it is very important to avoid selecting photos that are blurry or out of focus. Nearby pixels of a blurry image tend to have similar color values. That is why we used a MATLAB script to compare the derivatives of the images. The higher the sum of the derivative, the sharper an image of similar objects. MATLAB subdivides the video into image intervals. From each interval, the image with the highest sum is selected. E.g.: 20min. video at 25fps equals 30.000 single images. The program now inspects the first 20 images, saves the sharpest and moves on to the next 20 images etc. Using this algorithm, we selected 1500 images for our modeling. With VisualSFM, we calculated features and the matches between all images and produced a point cloud. Then, MeshLab has been used to build a surface out of it using the Poisson surface reconstruction approach. Afterwards we are able to calculate the size and the volume of the gullies. It is also possible to determine soil erosion rates, if we compare the data with old recordings. The final step would be the combination of the terrestrial data with the data from our aerial photography. So far, the method works well and we

  8. Numerical Modeling in Geodynamics: Success, Failure and Perspective

    NASA Astrophysics Data System (ADS)

    Ismail-Zadeh, A.

    2005-12-01

    tuning model variables are greater than two, test carefully the effect of each of the variables on the modeled phenomenon. Remember: With four exponents I can fit an elephant (E. Fermi, physicist). (vii) Make your numerical model as accurate as possible, but never put the aim to reach a great accuracy: Undue precision of computations is the first symptom of mathematical illiteracy (N. Krylov, mathematician). How complex should be a numerical model? A model which images any detail of the reality is as useful as a map of scale 1:1 (J. Robinson, economist). This message is quite important for geoscientists, who study numerical models of complex geodynamical processes. I believe that geoscientists will never create a model of the real Earth dynamics, but we should try to model the dynamics such a way to simulate basic geophysical processes and phenomena. Does a particular model have a predictive power? Each numerical model has a predictive power, otherwise the model is useless. The predictability of the model varies with its complexity. Remember that a solution to the numerical model is an approximate solution to the equations, which have been chosen in believe that they describe dynamic processes of the Earth. Hence a numerical model predicts dynamics of the Earth as well as the mathematical equations describe this dynamics. What methodological advances are still needed for testable geodynamic modeling? Inverse (time-reverse) numerical modeling and data assimilation are new methodologies in geodynamics. The inverse modeling can allow to test geodynamic models forward in time using restored (from present-day observations) initial conditions instead of unknown conditions.

  9. Accurate Analytic Results for the Steady State Distribution of the Eigen Model

    NASA Astrophysics Data System (ADS)

    Huang, Guan-Rong; Saakian, David B.; Hu, Chin-Kun

    2016-04-01

    Eigen model of molecular evolution is popular in studying complex biological and biomedical systems. Using the Hamilton-Jacobi equation method, we have calculated analytic equations for the steady state distribution of the Eigen model with a relative accuracy of O(1/N), where N is the length of genome. Our results can be applied for the case of small genome length N, as well as the cases where the direct numerics can not give accurate result, e.g., the tail of distribution.

  10. Nonlinear oscillator metamaterial model: numerical and experimental verification.

    PubMed

    Poutrina, E; Huang, D; Urzhumov, Y; Smith, D R

    2011-04-25

    We verify numerically and experimentally the accuracy of an analytical model used to derive the effective nonlinear susceptibilities of a varactor-loaded split ring resonator (VLSRR) magnetic medium. For the numerical validation, a nonlinear oscillator model for the effective magnetization of the metamaterial is applied in conjunction with Maxwell equations and the two sets of equations solved numerically in the time-domain. The computed second harmonic generation (SHG) from a slab of a nonlinear material is then compared with the analytical model. The computed SHG is in excellent agreement with that predicted by the analytical model, both in terms of magnitude and spectral characteristics. Moreover, experimental measurements of the power transmitted through a fabricated VLSRR metamaterial at several power levels are also in agreement with the model, illustrating that the effective medium techniques associated with metamaterials can accurately be transitioned to nonlinear systems. PMID:21643082

  11. TOPLHA: an accurate and efficient numerical tool for analysis and design of LH antennas

    NASA Astrophysics Data System (ADS)

    Milanesio, D.; Lancellotti, V.; Meneghini, O.; Maggiora, R.; Vecchi, G.; Bilato, R.

    2007-09-01

    Auxiliary ICRF heating systems in tokamaks often involve large complex antennas, made up of several conducting straps hosted in distinct cavities that open towards the plasma. The same holds especially true in the LH regime, wherein the antennas are comprised of arrays of many phased waveguides. Upon observing that the various cavities or waveguides couple to each other only through the EM fields existing over the plasma-facing apertures, we self-consistently formulated the EM problem by a convenient set of multiple coupled integral equations. Subsequent application of the Method of Moments yields a highly sparse algebraic system; therefore formal inversion of the system matrix happens to be not so memory demanding, despite the number of unknowns may be quite large (typically 105 or so). The overall strategy has been implemented in an enhanced version of TOPICA (Torino Polytechnic Ion Cyclotron Antenna) and in a newly developed code named TOPLHA (Torino Polytechnic Lower Hybrid Antenna). Both are simulation and prediction tools for plasma facing antennas that incorporate commercial-grade 3D graphic interfaces along with an accurate description of the plasma. In this work we present the new proposed formulation along with examples of application to real life large LH antenna systems.

  12. Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation.

    PubMed

    Kottmann, Jakob S; Höfener, Sebastian; Bischoff, Florian A

    2015-12-21

    In the present work, we report an efficient implementation of configuration interaction singles (CIS) excitation energies and oscillator strengths using the multi-resolution analysis (MRA) framework to address the basis-set convergence of excited state computations. In MRA (ground-state) orbitals, excited states are constructed adaptively guaranteeing an overall precision. Thus not only valence but also, in particular, low-lying Rydberg states can be computed with consistent quality at the basis set limit a priori, or without special treatments, which is demonstrated using a small test set of organic molecules, basis sets, and states. We find that the new implementation of MRA-CIS excitation energy calculations is competitive with conventional LCAO calculations when the basis-set limit of medium-sized molecules is sought, which requires large, diffuse basis sets. This becomes particularly important if accurate calculations of molecular electronic absorption spectra with respect to basis-set incompleteness are required, in which both valence as well as Rydberg excitations can contribute to the molecule's UV/VIS fingerprint. PMID:25913482

  13. Numerical wind speed simulation model

    SciTech Connect

    Ramsdell, J.V.; Athey, G.F.; Ballinger, M.Y.

    1981-09-01

    A relatively simple stochastic model for simulating wind speed time series that can be used as an alternative to time series from representative locations is described in this report. The model incorporates systematic seasonal variation of the mean wind, its standard deviation, and the correlation speeds. It also incorporates systematic diurnal variation of the mean speed and standard deviation. To demonstrate the model capabilities, simulations were made using model parameters derived from data collected at the Hanford Meteorology Station, and results of analysis of simulated and actual data were compared.

  14. An accurate and simple quantum model for liquid water.

    PubMed

    Paesani, Francesco; Zhang, Wei; Case, David A; Cheatham, Thomas E; Voth, Gregory A

    2006-11-14

    The path-integral molecular dynamics and centroid molecular dynamics methods have been applied to investigate the behavior of liquid water at ambient conditions starting from a recently developed simple point charge/flexible (SPC/Fw) model. Several quantum structural, thermodynamic, and dynamical properties have been computed and compared to the corresponding classical values, as well as to the available experimental data. The path-integral molecular dynamics simulations show that the inclusion of quantum effects results in a less structured liquid with a reduced amount of hydrogen bonding in comparison to its classical analog. The nuclear quantization also leads to a smaller dielectric constant and a larger diffusion coefficient relative to the corresponding classical values. Collective and single molecule time correlation functions show a faster decay than their classical counterparts. Good agreement with the experimental measurements in the low-frequency region is obtained for the quantum infrared spectrum, which also shows a higher intensity and a redshift relative to its classical analog. A modification of the original parametrization of the SPC/Fw model is suggested and tested in order to construct an accurate quantum model, called q-SPC/Fw, for liquid water. The quantum results for several thermodynamic and dynamical properties computed with the new model are shown to be in a significantly better agreement with the experimental data. Finally, a force-matching approach was applied to the q-SPC/Fw model to derive an effective quantum force field for liquid water in which the effects due to the nuclear quantization are explicitly distinguished from those due to the underlying molecular interactions. Thermodynamic and dynamical properties computed using standard classical simulations with this effective quantum potential are found in excellent agreement with those obtained from significantly more computationally demanding full centroid molecular dynamics

  15. Leidenfrost effect: accurate drop shape modeling and new scaling laws

    NASA Astrophysics Data System (ADS)

    Sobac, Benjamin; Rednikov, Alexey; Dorbolo, Stéphane; Colinet, Pierre

    2014-11-01

    In this study, we theoretically investigate the shape of a drop in a Leidenfrost state, focusing on the geometry of the vapor layer. The drop geometry is modeled by numerically matching the solution of the hydrostatic shape of a superhydrophobic drop (for the upper part) with the solution of the lubrication equation of the vapor flow underlying the drop (for the bottom part). The results highlight that the vapor layer, fed by evaporation, forms a concave depression in the drop interface that becomes increasingly marked with the drop size. The vapor layer then consists of a gas pocket in the center and a thin annular neck surrounding it. The film thickness increases with the size of the drop, and the thickness at the neck appears to be of the order of 10--100 μm in the case of water. The model is compared to recent experimental results [Burton et al., Phys. Rev. Lett., 074301 (2012)] and shows an excellent agreement, without any fitting parameter. New scaling laws also emerge from this model. The geometry of the vapor pocket is only weakly dependent on the superheat (and thus on the evaporation rate), this weak dependence being more pronounced in the neck region. In turn, the vapor layer characteristics strongly depend on the drop size.

  16. Survey of numerical electrostimulation models.

    PubMed

    Reilly, J Patrick

    2016-06-21

    This paper evaluates results of a survey of electrostimulation models of myelinated nerve. Participants were asked to determine thresholds of excitation for 18 cases involving different characteristics of the neuron, the stimulation waveform, and the electrode arrangement. Responses were received from 7 investigators using 10 models. Excitation thresholds differed significantly among these models. For example, with a 2 ms monophasic stimulus pulse and an electrode/fiber distance of 1 cm, thresholds from the least to greatest value differed by a factor of 8.3; with a 5 μs pulse, thresholds differed by the factor 3.8. Significant differences in reported simulations point to the need for experimental validation. Additional efforts are needed to develop computational models for unmyelinated C-fibers, A-delta fibers, CNS neurons, and CNS Synapses. PMID:27223870

  17. Survey of numerical electrostimulation models

    NASA Astrophysics Data System (ADS)

    Reilly, J. Patrick

    2016-06-01

    This paper evaluates results of a survey of electrostimulation models of myelinated nerve. Participants were asked to determine thresholds of excitation for 18 cases involving different characteristics of the neuron, the stimulation waveform, and the electrode arrangement. Responses were received from 7 investigators using 10 models. Excitation thresholds differed significantly among these models. For example, with a 2 ms monophasic stimulus pulse and an electrode/fiber distance of 1 cm, thresholds from the least to greatest value differed by a factor of 8.3; with a 5 μs pulse, thresholds differed by the factor 3.8. Significant differences in reported simulations point to the need for experimental validation. Additional efforts are needed to develop computational models for unmyelinated C-fibers, A-delta fibers, CNS neurons, and CNS Synapses.

  18. Numerical modeling of combustion dynamics in a lean premixed combustor

    SciTech Connect

    Cannon, S.M.; Smith, C.E.

    1998-07-01

    The objective of this study was to evaluate the ability of a time-accurate, 2-D axi-symmetric CFD model to accurately predict combustion dynamics in a premixed pipe combustor driven by mixture feed variation. Independently measured data, including the magnitude and frequency of combustor pressure, were used to evaluate the model. The Smagorinsky, RGN k-{var{underscore}epsilon}, and molecular viscosity models were used to describe the subgrid turbulence, and a one-step, finite-rate reaction to equilibrium products model was used to describe the subgrid chemistry. Swirl source terms were included within the premix passage's computational domain and allowed the model to retain known boundary conditions at the choked flow inlet and the constant pressure exit. To ensure pressure waves were accurately captured, 1-D numerical analyses were first performed to assess the effects of boundary conditions, temporal and spatial differencing, time step, and grid size. It was found that the selected numerical details produced little numerical dissipation of the pressure waves. Then, 2-D axisymmetric analyses were performed in which the inlet temperature was varied. It was found that increases in the inlet temperature (keeping a constant mass flow rate) had a large effect on the unsteady combustor behavior since reaction and advection rates were increased. The correct trend of decreasing rms pressures with increasing inlet temperature was predicted. This agreement in rms pressure behavior supports the ability of the CFD model to accurately capture unsteady heat release and its coupling with resonant acoustic waves in multi-dimensional combustor systems. The effect of subgrid turbulence model was small for the unstable cases studied here.

  19. How Accurate are the Extremely Small P-values Used in Genomic Research: An Evaluation of Numerical Libraries

    PubMed Central

    Bangalore, Sai Santosh; Wang, Jelai; Allison, David B.

    2009-01-01

    In the fields of genomics and high dimensional biology (HDB), massive multiple testing prompts the use of extremely small significance levels. Because tail areas of statistical distributions are needed for hypothesis testing, the accuracy of these areas is important to confidently make scientific judgments. Previous work on accuracy was primarily focused on evaluating professionally written statistical software, like SAS, on the Statistical Reference Datasets (StRD) provided by National Institute of Standards and Technology (NIST) and on the accuracy of tail areas in statistical distributions. The goal of this paper is to provide guidance to investigators, who are developing their own custom scientific software built upon numerical libraries written by others. In specific, we evaluate the accuracy of small tail areas from cumulative distribution functions (CDF) of the Chi-square and t-distribution by comparing several open-source, free, or commercially licensed numerical libraries in Java, C, and R to widely accepted standards of comparison like ELV and DCDFLIB. In our evaluation, the C libraries and R functions are consistently accurate up to six significant digits. Amongst the evaluated Java libraries, Colt is most accurate. These languages and libraries are popular choices among programmers developing scientific software, so the results herein can be useful to programmers in choosing libraries for CDF accuracy. PMID:20161126

  20. Pre-Stall Behavior of a Transonic Axial Compressor Stage via Time-Accurate Numerical Simulation

    NASA Technical Reports Server (NTRS)

    Chen, Jen-Ping; Hathaway, Michael D.; Herrick, Gregory P.

    2008-01-01

    CFD calculations using high-performance parallel computing were conducted to simulate the pre-stall flow of a transonic compressor stage, NASA compressor Stage 35. The simulations were run with a full-annulus grid that models the 3D, viscous, unsteady blade row interaction without the need for an artificial inlet distortion to induce stall. The simulation demonstrates the development of the rotating stall from the growth of instabilities. Pressure-rise performance and pressure traces are compared with published experimental data before the study of flow evolution prior to the rotating stall. Spatial FFT analysis of the flow indicates a rotating long-length disturbance of one rotor circumference, which is followed by a spike-type breakdown. The analysis also links the long-length wave disturbance with the initiation of the spike inception. The spike instabilities occur when the trajectory of the tip clearance flow becomes perpendicular to the axial direction. When approaching stall, the passage shock changes from a single oblique shock to a dual-shock, which distorts the perpendicular trajectory of the tip clearance vortex but shows no evidence of flow separation that may contribute to stall.

  1. Waste glass melter numerical and physical modeling

    SciTech Connect

    Eyler, L.L.; Peters, R.D.; Lessor, D.L.; Lowery, P.S.; Elliott, M.L.

    1991-10-01

    Results of physical and numerical simulation modeling of high-level liquid waste vitrification melters are presented. Physical modeling uses simulant fluids in laboratory testing. Visualization results provide insight into convective melt flow patterns from which information is derived to support performance estimation of operating melters and data to support numerical simulation. Numerical simulation results of several melter configurations are presented. These are in support of programs to evaluate melter operation characteristics and performance. Included are investigations into power skewing and alternating current electric field phase angle in a dual electrode pair reference design and bi-modal convective stability in an advanced design. 9 refs., 9 figs., 1 tab.

  2. Numerical modeling for underground nuclear test monitoring

    NASA Astrophysics Data System (ADS)

    Taylor, Steven R.; Kamm, James R.

    The symposium for Numerical Modeling for Underground Nuclear Test Monitoring was held March 23-25 in Durango, Colo. Funded by the DOE Office of Arms Control and Nonproliferation (OACN) and hosted by the Source Region Program at Los Alamos National Laboratory (LANL), the meetings's purpose was to discuss the state-of-the-art in numerical simulations of nuclear explosion phenomenology with applications to test-ban monitoring. In particular, we wished to focus on the uniqueness of model fits to data, the measurement and characterization of material response models, advanced modeling techniques, and applications of modeling to monitoring problems.The concept for the meeting arose through discussions with Marv Denny, who was on assignment at Department of Energy Headquarters from Lawrence Livermore National Laboratory (LLNL). In these conversations, the following question was discussed: how are numerical modeling techniques being used to understand the effects of explosion- source phenomenology on test-ban treaty monitoring? Numerical studies are becoming increasingly important in the evaluation of capabilities for proliferation monitoring; this trend has accelerated with the curtailment of the nuclear testing program. During these discussions, the issue of the uniqueness and limitations of numerical models arose. It was decided to address these questions by convening a group of experts to present and discuss the problems associated with modeling of close-in data from explosions.

  3. Accurate, efficient, and (iso)geometrically flexible collocation methods for phase-field models

    NASA Astrophysics Data System (ADS)

    Gomez, Hector; Reali, Alessandro; Sangalli, Giancarlo

    2014-04-01

    We propose new collocation methods for phase-field models. Our algorithms are based on isogeometric analysis, a new technology that makes use of functions from computational geometry, such as, for example, Non-Uniform Rational B-Splines (NURBS). NURBS exhibit excellent approximability and controllable global smoothness, and can represent exactly most geometries encapsulated in Computer Aided Design (CAD) models. These attributes permitted us to derive accurate, efficient, and geometrically flexible collocation methods for phase-field models. The performance of our method is demonstrated by several numerical examples of phase separation modeled by the Cahn-Hilliard equation. We feel that our method successfully combines the geometrical flexibility of finite elements with the accuracy and simplicity of pseudo-spectral collocation methods, and is a viable alternative to classical collocation methods.

  4. Analysis and accurate numerical solutions of the integral equation derived from the linearized BGKW equation for the steady Couette flow

    NASA Astrophysics Data System (ADS)

    Jiang, Shidong; Luo, Li-Shi

    2016-07-01

    The integral equation for the flow velocity u (x ; k) in the steady Couette flow derived from the linearized Bhatnagar-Gross-Krook-Welander kinetic equation is studied in detail both theoretically and numerically in a wide range of the Knudsen number k between 0.003 and 100.0. First, it is shown that the integral equation is a Fredholm equation of the second kind in which the norm of the compact integral operator is less than 1 on Lp for any 1 ≤ p ≤ ∞ and thus there exists a unique solution to the integral equation via the Neumann series. Second, it is shown that the solution is logarithmically singular at the endpoints. More precisely, if x = 0 is an endpoint, then the solution can be expanded as a double power series of the form ∑n=0∞∑m=0∞cn,mxn(xln ⁡ x) m about x = 0 on a small interval x ∈ (0 , a) for some a > 0. And third, a high-order adaptive numerical algorithm is designed to compute the solution numerically to high precision. The solutions for the flow velocity u (x ; k), the stress Pxy (k), and the half-channel mass flow rate Q (k) are obtained in a wide range of the Knudsen number 0.003 ≤ k ≤ 100.0; and these solutions are accurate for at least twelve significant digits or better, thus they can be used as benchmark solutions.

  5. Ferrofluids: Modeling, numerical analysis, and scientific computation

    NASA Astrophysics Data System (ADS)

    Tomas, Ignacio

    This dissertation presents some developments in the Numerical Analysis of Partial Differential Equations (PDEs) describing the behavior of ferrofluids. The most widely accepted PDE model for ferrofluids is the Micropolar model proposed by R.E. Rosensweig. The Micropolar Navier-Stokes Equations (MNSE) is a subsystem of PDEs within the Rosensweig model. Being a simplified version of the much bigger system of PDEs proposed by Rosensweig, the MNSE are a natural starting point of this thesis. The MNSE couple linear velocity u, angular velocity w, and pressure p. We propose and analyze a first-order semi-implicit fully-discrete scheme for the MNSE, which decouples the computation of the linear and angular velocities, is unconditionally stable and delivers optimal convergence rates under assumptions analogous to those used for the Navier-Stokes equations. Moving onto the much more complex Rosensweig's model, we provide a definition (approximation) for the effective magnetizing field h, and explain the assumptions behind this definition. Unlike previous definitions available in the literature, this new definition is able to accommodate the effect of external magnetic fields. Using this definition we setup the system of PDEs coupling linear velocity u, pressure p, angular velocity w, magnetization m, and magnetic potential ϕ We show that this system is energy-stable and devise a numerical scheme that mimics the same stability property. We prove that solutions of the numerical scheme always exist and, under certain simplifying assumptions, that the discrete solutions converge. A notable outcome of the analysis of the numerical scheme for the Rosensweig's model is the choice of finite element spaces that allow the construction of an energy-stable scheme. Finally, with the lessons learned from Rosensweig's model, we develop a diffuse-interface model describing the behavior of two-phase ferrofluid flows and present an energy-stable numerical scheme for this model. For a

  6. Hydroforming Of Patchwork Blanks — Numerical Modeling And Experimental Validation

    NASA Astrophysics Data System (ADS)

    Lamprecht, Klaus; Merklein, Marion; Geiger, Manfred

    2005-08-01

    In comparison to the commonly applied technology of tailored blanks the concept of patchwork blanks offers a number of additional advantages. Potential application areas for patchwork blanks in automotive industry are e.g. local reinforcements of automotive closures, structural reinforcements of rails and pillars as well as shock towers. But even if there is a significant application potential for patchwork blanks in automobile production, industrial realization of this innovative technique is decelerated due to a lack of knowledge regarding the forming behavior and the numerical modeling of patchwork blanks. Especially for the numerical simulation of hydroforming processes, where one part of the forming tool is replaced by a fluid under pressure, advanced modeling techniques are required to ensure an accurate prediction of the blanks' forming behavior. The objective of this contribution is to provide an appropriate model for the numerical simulation of patchwork blanks' forming processes. Therefore, different finite element modeling techniques for patchwork blanks are presented. In addition to basic shell element models a combined finite element model consisting of shell and solid elements is defined. Special emphasis is placed on the modeling of the weld seam. For this purpose the local mechanical properties of the weld metal, which have been determined by means of Martens-hardness measurements and uniaxial tensile tests, are integrated in the finite element models. The results obtained from the numerical simulations are compared to experimental data from a hydraulic bulge test. In this context the focus is laid on laser- and spot-welded patchwork blanks.

  7. The numerical renormalization group and multi-orbital impurity models

    NASA Astrophysics Data System (ADS)

    Weichselbaum, Andreas; Stadler, K. M.; von Delft, J.; Yin, Z. P.; Kotliar, G.; Mitchell, Andrew

    The numerical renormalization group (NRG) is a highly versatile and accurate method for the simulation of (effective) fermionic impurity models. Despite that the cost of NRG is exponential in the number of orbitals, by now, symmetric three-band calculations have become available on a routine level. Here we present a recent detailed study on the spin-orbital separation in a three-band Hund metal with relevance for iron-pnictides via the dynamical mean field theory (DMFT). In cases, finally, where the orbital symmetry is broken, we demonstrate that interleaved NRG still offers an accurate alternative approach within the NRG with dramatically improved numerical efficiency at comparable accuracy relative to conventional NRG.

  8. Coarse-grained red blood cell model with accurate mechanical properties, rheology and dynamics.

    PubMed

    Fedosov, Dmitry A; Caswell, Bruce; Karniadakis, George E

    2009-01-01

    We present a coarse-grained red blood cell (RBC) model with accurate and realistic mechanical properties, rheology and dynamics. The modeled membrane is represented by a triangular mesh which incorporates shear inplane energy, bending energy, and area and volume conservation constraints. The macroscopic membrane elastic properties are imposed through semi-analytic theory, and are matched with those obtained in optical tweezers stretching experiments. Rheological measurements characterized by time-dependent complex modulus are extracted from the membrane thermal fluctuations, and compared with those obtained from the optical magnetic twisting cytometry results. The results allow us to define a meaningful characteristic time of the membrane. The dynamics of RBCs observed in shear flow suggests that a purely elastic model for the RBC membrane is not appropriate, and therefore a viscoelastic model is required. The set of proposed analyses and numerical tests can be used as a complete model testbed in order to calibrate the modeled viscoelastic membranes to accurately represent RBCs in health and disease. PMID:19965026

  9. Mathematical modeling of electrocardiograms: a numerical study.

    PubMed

    Boulakia, Muriel; Cazeau, Serge; Fernández, Miguel A; Gerbeau, Jean-Frédéric; Zemzemi, Nejib

    2010-03-01

    This paper deals with the numerical simulation of electrocardiograms (ECG). Our aim is to devise a mathematical model, based on partial differential equations, which is able to provide realistic 12-lead ECGs. The main ingredients of this model are classical: the bidomain equations coupled to a phenomenological ionic model in the heart, and a generalized Laplace equation in the torso. The obtention of realistic ECGs relies on other important features--including heart-torso transmission conditions, anisotropy, cell heterogeneity and His bundle modeling--that are discussed in detail. The numerical implementation is based on state-of-the-art numerical methods: domain decomposition techniques and second order semi-implicit time marching schemes, offering a good compromise between accuracy, stability and efficiency. The numerical ECGs obtained with this approach show correct amplitudes, shapes and polarities, in all the 12 standard leads. The relevance of every modeling choice is carefully discussed and the numerical ECG sensitivity to the model parameters investigated. PMID:20033779

  10. Numerical flow modeling of power plant windboxes

    SciTech Connect

    LaRose, J.A.; Hopkins, M.W.

    1995-12-31

    Numerical flow modeling has become an increasingly important design and analysis tool for improving the air distribution to power plant burners. Uniform air distribution allows the burners to perform as designed to achieve the lowest possible emissions and best fuel burn-out. Modifications can be made internal to the existing windbox to improve the burner-to-burner and burner peripheral air distributions. These modifications can include turning vanes, flow splitters, perforated plate, and burner shrouding. Numerical modeling allows the analysis of design trade-offs between adding flow resistance, fan power, and windbox modification construction cost. Numerical modeling has advantages over physical modeling in that actual geometric scales and air temperatures are used. Advantages over a field data based study include the ability to quickly and cheaply analyze a variety of design options without actually modifying the windbox, and the availability of significantly more data with which to interpret the results. Costs to perform a numerical study are generally one-half to one-third of the cost to perform a physical flow model and can be one-forth of the cost to perform a field study. The continued development of affordable, high speed, large memory workstations and reliable, commercially available computation fluid dynamics (CFD) software allows practical analyses of power plant windboxes. This paper discusses (1) the impact of air distribution on burner performance, (2) the methodology used to perform numerical flow modeling of power plant windboxes, and (3) the results from several windbox analyses including available post-modification observations.

  11. Numerical noise in ocean and estuarine models

    USGS Publications Warehouse

    Walters, R.; Carey, G.F.

    1984-01-01

    Approximate methods for solving the shallow water equations may lead to solutions exhibiting large fictitious, numerically-induced oscillations. The analysis of the discrete dispersion relation and modal solutions of small wavelengths provides a powerful technique for assessing the sensitivity of alternative numerical schemes to irregular data which may lead to such oscillatory numerical noise. For those schemes where phase speed vanishes at a finite wavenumber or there are multiple roots for wavenumber, oscillation modes can exist which are uncoupled from the dynamics of the problem. The discrete modal analysis approach is used here to identify two classes of spurious oscillation modes associated respectively with the two different asymptotic limits corresponding to estuarine and large scale ocean models. The analysis provides further insight into recent numerical results for models which include large spatial scales and Coriolis acceleration. ?? 1984.

  12. Numerical Modeling of Ablation Heat Transfer

    NASA Technical Reports Server (NTRS)

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

    2013-01-01

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

  13. Accurate state estimation from uncertain data and models: an application of data assimilation to mathematical models of human brain tumors

    PubMed Central

    2011-01-01

    Background Data assimilation refers to methods for updating the state vector (initial condition) of a complex spatiotemporal model (such as a numerical weather model) by combining new observations with one or more prior forecasts. We consider the potential feasibility of this approach for making short-term (60-day) forecasts of the growth and spread of a malignant brain cancer (glioblastoma multiforme) in individual patient cases, where the observations are synthetic magnetic resonance images of a hypothetical tumor. Results We apply a modern state estimation algorithm (the Local Ensemble Transform Kalman Filter), previously developed for numerical weather prediction, to two different mathematical models of glioblastoma, taking into account likely errors in model parameters and measurement uncertainties in magnetic resonance imaging. The filter can accurately shadow the growth of a representative synthetic tumor for 360 days (six 60-day forecast/update cycles) in the presence of a moderate degree of systematic model error and measurement noise. Conclusions The mathematical methodology described here may prove useful for other modeling efforts in biology and oncology. An accurate forecast system for glioblastoma may prove useful in clinical settings for treatment planning and patient counseling. Reviewers This article was reviewed by Anthony Almudevar, Tomas Radivoyevitch, and Kristin Swanson (nominated by Georg Luebeck). PMID:22185645

  14. Numerical FEM modeling in dental implantology

    NASA Astrophysics Data System (ADS)

    Roateşi, Iulia; Roateşi, Simona

    2016-06-01

    This paper is devoted to a numerical approach of the stress and displacement calculation of a system made up of dental implant, ceramic crown and surrounding bone. This is the simulation of a clinical situation involving both biological - the bone tissue, and non-biological - the implant and the crown, materials. On the other hand this problem deals with quite fine technical structure details - the threads, tapers, etc with a great impact in masticatory force transmission. Modeling the contact between the implant and the bone tissue is important to a proper bone-implant interface model and implant design. The authors proposed a three-dimensional numerical model to assess the biomechanical behaviour of this complex structure in order to evaluate its stability by determining the risk zones. A comparison between this numerical analysis and clinical cases is performed and a good agreement is obtained.

  15. A Method for Accurate in silico modeling of Ultrasound Transducer Arrays

    PubMed Central

    Guenther, Drake A.; Walker, William F.

    2009-01-01

    This paper presents a new approach to improve the in silico modeling of ultrasound transducer arrays. While current simulation tools accurately predict the theoretical element spatio-temporal pressure response, transducers do not always behave as theorized. In practice, using the probe's physical dimensions and published specifications in silico, often results in unsatisfactory agreement between simulation and experiment. We describe a general optimization procedure used to maximize the correlation between the observed and simulated spatio-temporal response of a pulsed single element in a commercial ultrasound probe. A linear systems approach is employed to model element angular sensitivity, lens effects, and diffraction phenomena. A numerical deconvolution method is described to characterize the intrinsic electro-mechanical impulse response of the element. Once the response of the element and optimal element characteristics are known, prediction of the pressure response for arbitrary apertures and excitation signals is performed through direct convolution using available tools. We achieve a correlation of 0.846 between the experimental emitted waveform and simulated waveform when using the probe's physical specifications in silico. A far superior correlation of 0.988 is achieved when using the optimized in silico model. Electronic noise appears to be the main effect preventing the realization of higher correlation coefficients. More accurate in silico modeling will improve the evaluation and design of ultrasound transducers as well as aid in the development of sophisticated beamforming strategies. PMID:19041997

  16. Evaluating Mesoscale Numerical Weather Predictions and Spatially Distributed Meteorologic Forcing Data for Developing Accurate SWE Forecasts over Large Mountain Basins

    NASA Astrophysics Data System (ADS)

    Hedrick, A. R.; Marks, D. G.; Winstral, A. H.; Marshall, H. P.

    2014-12-01

    The ability to forecast snow water equivalent, or SWE, in mountain catchments would benefit many different communities ranging from avalanche hazard mitigation to water resource management. Historical model runs of Isnobal, the physically based energy balance snow model, have been produced over the 2150 km2 Boise River Basin for water years 2012 - 2014 at 100-meter resolution. Spatially distributed forcing parameters such as precipitation, wind, and relative humidity are generated from automated weather stations located throughout the watershed, and are supplied to Isnobal at hourly timesteps. Similarly, the Weather Research & Forecasting (WRF) Model provides hourly predictions of the same forcing parameters from an atmospheric physics perspective. This work aims to quantitatively compare WRF model output to the spatial meteorologic fields developed to force Isnobal, with the hopes of eventually using WRF predictions to create accurate hourly forecasts of SWE over a large mountainous basin.

  17. Numerical Modeling of Ocean Acoustic Wavefields

    NASA Astrophysics Data System (ADS)

    Tappert, Frederick

    1997-08-01

    The U.S. Navy requires real-time ``acoustic performance prediction'' models in order to optimize sonar tactics in naval combat situations. The need for numerical models that solve the acoustic wave equation in realistic ocean environments is being met by a collaborative effort between university researchers, industrial contractors, and navy laboratory workers. This paper discusses one particularly successful numerical model, called the PE/SSF model, that was originally developed by the author. Here PE stands for Parabolic Equation, a good approximation to the elliptic Helmholtz equation; and SSF stands for the Split-Step Fourier algorithm, a highly efficient marching algorithm for solving parabolic type equations. These techniques are analyzed, and examples are displayed of ocean acoustic wavefields generated by the PE/SSF model.

  18. An accurate and efficient Lagrangian sub-grid model for multi-particle dispersion

    NASA Astrophysics Data System (ADS)

    Toschi, Federico; Mazzitelli, Irene; Lanotte, Alessandra S.

    2014-11-01

    Many natural and industrial processes involve the dispersion of particle in turbulent flows. Despite recent theoretical progresses in the understanding of particle dynamics in simple turbulent flows, complex geometries often call for numerical approaches based on eulerian Large Eddy Simulation (LES). One important issue related to the Lagrangian integration of tracers in under-resolved velocity fields is connected to the lack of spatial correlations at unresolved scales. Here we propose a computationally efficient Lagrangian model for the sub-grid velocity of tracers dispersed in statistically homogeneous and isotropic turbulent flows. The model incorporates the multi-scale nature of turbulent temporal and spatial correlations that are essential to correctly reproduce the dynamics of multi-particle dispersion. The new model is able to describe the Lagrangian temporal and spatial correlations in clouds of particles. In particular we show that pairs and tetrads dispersion compare well with results from Direct Numerical Simulations of statistically isotropic and homogeneous 3d turbulence. This model may offer an accurate and efficient way to describe multi-particle dispersion in under resolved turbulent velocity fields such as the one employed in eulerian LES. This work is part of the research programmes FP112 of the Foundation for Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO). We acknowledge support from the EU COST Action MP0806.

  19. Applying an accurate spherical model to gamma-ray burst afterglow observations

    NASA Astrophysics Data System (ADS)

    Leventis, K.; van der Horst, A. J.; van Eerten, H. J.; Wijers, R. A. M. J.

    2013-05-01

    We present results of model fits to afterglow data sets of GRB 970508, GRB 980703 and GRB 070125, characterized by long and broad-band coverage. The model assumes synchrotron radiation (including self-absorption) from a spherical adiabatic blast wave and consists of analytic flux prescriptions based on numerical results. For the first time it combines the accuracy of hydrodynamic simulations through different stages of the outflow dynamics with the flexibility of simple heuristic formulas. The prescriptions are especially geared towards accurate description of the dynamical transition of the outflow from relativistic to Newtonian velocities in an arbitrary power-law density environment. We show that the spherical model can accurately describe the data only in the case of GRB 970508, for which we find a circumburst medium density n ∝ r-2. We investigate in detail the implied spectra and physical parameters of that burst. For the microphysics we show evidence for equipartition between the fraction of energy density carried by relativistic electrons and magnetic field. We also find that for the blast wave to be adiabatic, the fraction of electrons accelerated at the shock has to be smaller than 1. We present best-fitting parameters for the afterglows of all three bursts, including uncertainties in the parameters of GRB 970508, and compare the inferred values to those obtained by different authors.

  20. Numerical modeling tools for chemical vapor deposition

    NASA Technical Reports Server (NTRS)

    Jasinski, Thomas J.; Childs, Edward P.

    1992-01-01

    Development of general numerical simulation tools for chemical vapor deposition (CVD) was the objective of this study. Physical models of important CVD phenomena were developed and implemented into the commercial computational fluid dynamics software FLUENT. The resulting software can address general geometries as well as the most important phenomena occurring with CVD reactors: fluid flow patterns, temperature and chemical species distribution, gas phase and surface deposition. The physical models are documented which are available and examples are provided of CVD simulation capabilities.

  1. New process model proves accurate in tests on catalytic reformer

    SciTech Connect

    Aguilar-Rodriguez, E.; Ancheyta-Juarez, J. )

    1994-07-25

    A mathematical model has been devised to represent the process that takes place in a fixed-bed, tubular, adiabatic catalytic reforming reactor. Since its development, the model has been applied to the simulation of a commercial semiregenerative reformer. The development of mass and energy balances for this reformer led to a model that predicts both concentration and temperature profiles along the reactor. A comparison of the model's results with experimental data illustrates its accuracy at predicting product profiles. Simple steps show how the model can be applied to simulate any fixed-bed catalytic reformer.

  2. Quantitative comparisons of numerical models of brittle deformation

    NASA Astrophysics Data System (ADS)

    Buiter, S.

    2009-04-01

    Numerical modelling of brittle deformation in the uppermost crust can be challenging owing to the requirement of an accurate pressure calculation, the ability to achieve post-yield deformation and localisation, and the choice of rheology (plasticity law). One way to approach these issues is to conduct model comparisons that can evaluate the effects of different implementations of brittle behaviour in crustal deformation models. We present a comparison of three brittle shortening experiments for fourteen different numerical codes, which use finite element, finite difference, boundary element and distinct element techniques. Our aim is to constrain and quantify the variability among models in order to improve our understanding of causes leading to differences between model results. Our first experiment of translation of a stable sand-like wedge serves as a reference that allows for testing against analytical solutions (e.g., taper angle, root-mean-square velocity and gravitational rate of work). The next two experiments investigate an unstable wedge in a sandbox-like setup which deforms by inward translation of a mobile wall. All models accommodate shortening by in-sequence formation of forward shear zones. We analyse the location, dip angle and spacing of thrusts in detail as previous comparisons have shown that these can be highly variable in numerical and analogue models of crustal shortening and extension. We find that an accurate implementation of boundary friction is important for our models. Our results are encouraging in the overall agreement in their dynamic evolution, but show at the same time the effort that is needed to understand shear zone evolution. GeoMod2008 Team: Markus Albertz, Michele Cooke, Susan Ellis, Taras Gerya, Luke Hodkinson, Kristin Hughes, Katrin Huhn, Boris Kaus, Walter Landry, Bertrand Maillot, Christophe Pascal, Anton Popov, Guido Schreurs, Christopher Beaumont, Tony Crook, Mario Del Castello and Yves Leroy

  3. Coupling Efforts to the Accurate and Efficient Tsunami Modelling System

    NASA Astrophysics Data System (ADS)

    Son, S.

    2015-12-01

    In the present study, we couple two different types of tsunami models, i.e., nondispersive shallow water model of characteristic form(MOST ver.4) and dispersive Boussinesq model of non-characteristic form(Son et al. (2011)) in an attempt to improve modelling accuracy and efficiency. Since each model deals with different type of primary variables, additional care on matching boundary condition is required. Using an absorbing-generating boundary condition developed by Van Dongeren and Svendsen(1997), model coupling and integration is achieved. Characteristic variables(i.e., Riemann invariants) in MOST are converted to non-characteristic variables for Boussinesq solver without any loss of physical consistency. Established modelling system has been validated through typical test problems to realistic tsunami events. Simulated results reveal good performance of developed modelling system. Since coupled modelling system provides advantageous flexibility feature during implementation, great efficiencies and accuracies are expected to be gained through spot-focusing application of Boussinesq model inside the entire domain of tsunami propagation.

  4. A Numerical Model of Viscoelastic Flow in Microchannels

    SciTech Connect

    Trebotich, D; Colella, P; Miller, G; Liepmann, D

    2002-11-14

    The authors present a numerical method to model non-Newtonian, viscoelastic flow at the microscale. The equations of motion are the incompressible Navier-Stokes equations coupled with the Oldroyd-B constitutive equation. This constitutive equation is chosen to model a Boger fluid which is representative of complex biological solutions exhibiting elastic behavior due to macromolecules in the solution (e.g., DNA solution). The numerical approach is a projection method to impose the incompressibility constraint and a Lax-Wendroff method to predict velocities and stresses while recovering both viscous and elastic limits. The method is second-order accurate in space and time, free-stream preserving, has a time step constraint determined by the advective CFL condition, and requires the solution of only well-behaved linear systems amenable to the use of fast iterative methods. They demonstrate the method for viscoelastic incompressible flow in simple microchannels (2D) and microducts (3D).

  5. Numerical Modeling of Pulse Detonation Rocket Engine Gasdynamics and Performance

    NASA Technical Reports Server (NTRS)

    2003-01-01

    This paper presents viewgraphs on the numerical modeling of pulse detonation rocket engines (PDRE), with an emphasis on the Gasdynamics and performance analysis of these engines. The topics include: 1) Performance Analysis of PDREs; 2) Simplified PDRE Cycle; 3) Comparison of PDRE and Steady-State Rocket Engines (SSRE) Performance; 4) Numerical Modeling of Quasi 1-D Rocket Flows; 5) Specific PDRE Geometries Studied; 6) Time-Accurate Thrust Calculations; 7) PDRE Performance (Geometries A B C and D); 8) PDRE Blowdown Gasdynamics (Geom. A B C and D); 9) PDRE Geometry Performance Comparison; 10) PDRE Blowdown Time (Geom. A B C and D); 11) Specific SSRE Geometry Studied; 12) Effect of F-R Chemistry on SSRE Performance; 13) PDRE/SSRE Performance Comparison; 14) PDRE Performance Study; 15) Grid Resolution Study; and 16) Effect of F-R Chemistry on SSRE Exit Species Mole Fractions.

  6. Simple and accurate modelling of the gravitational potential produced by thick and thin exponential discs

    NASA Astrophysics Data System (ADS)

    Smith, R.; Flynn, C.; Candlish, G. N.; Fellhauer, M.; Gibson, B. K.

    2015-04-01

    We present accurate models of the gravitational potential produced by a radially exponential disc mass distribution. The models are produced by combining three separate Miyamoto-Nagai discs. Such models have been used previously to model the disc of the Milky Way, but here we extend this framework to allow its application to discs of any mass, scalelength, and a wide range of thickness from infinitely thin to near spherical (ellipticities from 0 to 0.9). The models have the advantage of simplicity of implementation, and we expect faster run speeds over a double exponential disc treatment. The potentials are fully analytical, and differentiable at all points. The mass distribution of our models deviates from the radial mass distribution of a pure exponential disc by <0.4 per cent out to 4 disc scalelengths, and <1.9 per cent out to 10 disc scalelengths. We tabulate fitting parameters which facilitate construction of exponential discs for any scalelength, and a wide range of disc thickness (a user-friendly, web-based interface is also available). Our recipe is well suited for numerical modelling of the tidal effects of a giant disc galaxy on star clusters or dwarf galaxies. We consider three worked examples; the Milky Way thin and thick disc, and a discy dwarf galaxy.

  7. An accurate parameterization of the infrared radiative properties of cirrus clouds for climate models

    SciTech Connect

    Fu, Q.; Sun, W.B.; Yang, P.

    1998-09-01

    An accurate parameterization is presented for the infrared radiative properties of cirrus clouds. For the single-scattering calculations, a composite scheme is developed for randomly oriented hexagonal ice crystals by comparing results from Mie theory, anomalous diffraction theory (ADT), the geometric optics method (GOM), and the finite-difference time domain technique. This scheme employs a linear combination of single-scattering properties from the Mie theory, ADT, and GOM, which is accurate for a wide range of size parameters. Following the approach of Q. Fu, the extinction coefficient, absorption coefficient, and asymmetry factor are parameterized as functions of the cloud ice water content and generalized effective size (D{sub ge}). The present parameterization of the single-scattering properties of cirrus clouds is validated by examining the bulk radiative properties for a wide range of atmospheric conditions. Compared with reference results, the typical relative error in emissivity due to the parameterization is {approximately}2.2%. The accuracy of this parameterization guarantees its reliability in applications to climate models. The present parameterization complements the scheme for the solar radiative properties of cirrus clouds developed by Q. Fu for use in numerical models.

  8. Numerical tests of nucleation theories for the Ising models

    NASA Astrophysics Data System (ADS)

    Ryu, Seunghwa; Cai, Wei

    2010-07-01

    The classical nucleation theory (CNT) is tested systematically by computer simulations of the two-dimensional (2D) and three-dimensional (3D) Ising models with a Glauber-type spin flip dynamics. While previous studies suggested potential problems with CNT, our numerical results show that the fundamental assumption of CNT is correct. In particular, the Becker-Döring theory accurately predicts the nucleation rate if the correct droplet free energy function is provided as input. This validates the coarse graining of the system into a one dimensional Markov chain with the largest droplet size as the reaction coordinate. Furthermore, in the 2D Ising model, the droplet free energy predicted by CNT matches numerical results very well, after a logarithmic correction term from Langer’s field theory and a constant correction term are added. But significant discrepancies are found between the numerical results and existing theories on the magnitude of the logarithmic correction term in the 3D Ising model. Our analysis underscores the importance of correctly accounting for the temperature dependence of surface energy when comparing numerical results and nucleation theories.

  9. Numerical comparison of strong Langmuir turbulence models

    NASA Technical Reports Server (NTRS)

    Shen, Mei-Mei; Nicholson, D. R.

    1987-01-01

    Two models of Langmuir turbulence, the nonlinear Schroedinger equation and the Zakharov equations, are solved numerically for an initial value problem in which the electric field evolves from an almost flat initial condition via the modulational instability and finally saturates into a set of solitons. The two models agree well with each other only when the initial dimensionless electric field has an amplitude less than unity. An analytic soliton gas model consisting of equal-amplitude, randomly spaced, zero-speed solitons is remarkably good at reproducing the time-averaged Fourier spectra in both cases.

  10. Numerical Modelling Of Pumpkin Balloon Instability

    NASA Astrophysics Data System (ADS)

    Wakefield, D.

    Tensys have been involved in the numerical formfinding and load analysis of architectural stressed membrane structures for 15 years. They have recently broadened this range of activities into the `lighter than air' field with significant involvement in aerostat and heavy-lift hybrid airship design. Since early 2004 they have been investigating pumpkin balloon instability on behalf of the NASA ULDB programme. These studies are undertaken using inTENS, an in-house finite element program suite based upon the Dynamic Relaxation solution method and developed especially for the non-linear analysis and patterning of membrane structures. The paper describes the current state of an investigation that started with a numerical simulation of the lobed cylinder problem first studied by Calladine. The influence of material properties and local geometric deformation on stability is demonstrated. A number of models of complete pumpkin balloons have then been established, including a 64-gore balloon with geometry based upon Julian Nott's Endeavour. This latter clefted dramatically upon initial inflation, a phenomenon that has been reproduced in the numerical model. Ongoing investigations include the introduction of membrane contact modelling into inTENS and correlation studies with the series of large-scale ULDB models currently in preparation.

  11. Numerical modeling of flow through orifice meters

    NASA Astrophysics Data System (ADS)

    Sheikholesiami, M. Z.; Patel, B. R.

    1988-03-01

    Numerical modeling is performed for turbulent flow through orifice meters using Creare's computer program FLUENT. FLUENT solves the time averaged Navier-Stokes equations in 2-D and 3-D Cartesian or cylindrical coordinates. Turbulence is simulated using a two equation k-epsilon or algebraic stress turbulence model. It is shown that an 80 x 60 grid distribution is sufficient to resolve the flow field around the orifice. The variations in discharge coefficient are studied as a result of variation in beta ratio, Reynolds number, upstream and downstream boundary conditions, pipe surface roughness, and upstream swirl. The effects of beta ratio and Reynolds number on the discharge coefficient are shown to be similar to the experimental data. It is also shown that the surface roughness can increase the discharge coefficient by about 0.7 percent for the range of roughness heights encountered in practice. The numerical modeling approach would be most effective if it is combined with a systematic experimental program that can supply the necessary boundary conditions. It is recommended that numerical modeling be used for the study of other flow meters.

  12. A Numerical Model for Atomtronic Circuit Analysis

    SciTech Connect

    Chow, Weng W.; Straatsma, Cameron J. E.; Anderson, Dana Z.

    2015-07-16

    A model for studying atomtronic devices and circuits based on finite-temperature Bose-condensed gases is presented. The approach involves numerically solving equations of motion for atomic populations and coherences, derived using the Bose-Hubbard Hamiltonian and the Heisenberg picture. The resulting cluster expansion is truncated at a level giving balance between physics rigor and numerical demand mitigation. This approach allows parametric studies involving time scales that cover both the rapid population dynamics relevant to nonequilibrium state evolution, as well as the much longer time durations typical for reaching steady-state device operation. This model is demonstrated by studying the evolution of a Bose-condensed gas in the presence of atom injection and extraction in a double-well potential. In this configuration phase locking between condensates in each well of the potential is readily observed, and its influence on the evolution of the system is studied.

  13. Numerical model for atomtronic circuit analysis

    NASA Astrophysics Data System (ADS)

    Chow, Weng W.; Straatsma, Cameron J. E.; Anderson, Dana Z.

    2015-07-01

    A model for studying atomtronic devices and circuits based on finite-temperature Bose-condensed gases is presented. The approach involves numerically solving equations of motion for atomic populations and coherences, derived using the Bose-Hubbard Hamiltonian and the Heisenberg picture. The resulting cluster expansion is truncated at a level giving balance between physics rigor and numerical demand mitigation. This approach allows parametric studies involving time scales that cover both the rapid population dynamics relevant to nonequilibrium state evolution, as well as the much longer time durations typical for reaching steady-state device operation. The model is demonstrated by studying the evolution of a Bose-condensed gas in the presence of atom injection and extraction in a double-well potential. In this configuration phase locking between condensates in each well of the potential is readily observed, and its influence on the evolution of the system is studied.

  14. Lattice Boltzmann model for numerical relativity.

    PubMed

    Ilseven, E; Mendoza, M

    2016-02-01

    In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems. PMID:26986435

  15. Lattice Boltzmann model for numerical relativity

    NASA Astrophysics Data System (ADS)

    Ilseven, E.; Mendoza, M.

    2016-02-01

    In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.

  16. Accurate modelling of flow induced stresses in rigid colloidal aggregates

    NASA Astrophysics Data System (ADS)

    Vanni, Marco

    2015-07-01

    A method has been developed to estimate the motion and the internal stresses induced by a fluid flow on a rigid aggregate. The approach couples Stokesian dynamics and structural mechanics in order to take into account accurately the effect of the complex geometry of the aggregates on hydrodynamic forces and the internal redistribution of stresses. The intrinsic error of the method, due to the low-order truncation of the multipole expansion of the Stokes solution, has been assessed by comparison with the analytical solution for the case of a doublet in a shear flow. In addition, it has been shown that the error becomes smaller as the number of primary particles in the aggregate increases and hence it is expected to be negligible for realistic reproductions of large aggregates. The evaluation of internal forces is performed by an adaptation of the matrix methods of structural mechanics to the geometric features of the aggregates and to the particular stress-strain relationship that occurs at intermonomer contacts. A preliminary investigation on the stress distribution in rigid aggregates and their mode of breakup has been performed by studying the response to an elongational flow of both realistic reproductions of colloidal aggregates (made of several hundreds monomers) and highly simplified structures. A very different behaviour has been evidenced between low-density aggregates with isostatic or weakly hyperstatic structures and compact aggregates with highly hyperstatic configuration. In low-density clusters breakup is caused directly by the failure of the most stressed intermonomer contact, which is typically located in the inner region of the aggregate and hence originates the birth of fragments of similar size. On the contrary, breakup of compact and highly cross-linked clusters is seldom caused by the failure of a single bond. When this happens, it proceeds through the removal of a tiny fragment from the external part of the structure. More commonly, however

  17. Infrared radiation parameterizations in numerical climate models

    NASA Technical Reports Server (NTRS)

    Chou, Ming-Dah; Kratz, David P.; Ridgway, William

    1991-01-01

    This study presents various approaches to parameterizing the broadband transmission functions for utilization in numerical climate models. One-parameter scaling is applied to approximate a nonhomogeneous path with an equivalent homogeneous path, and the diffuse transmittances are either interpolated from precomputed tables or fit by analytical functions. Two-parameter scaling is applied to parameterizing the carbon dioxide and ozone transmission functions in both the lower and middle atmosphere. Parameterizations are given for the nitrous oxide and methane diffuse transmission functions.

  18. Magnetic field models of nine CP stars from "accurate" measurements

    NASA Astrophysics Data System (ADS)

    Glagolevskij, Yu. V.

    2013-01-01

    The dipole models of magnetic fields in nine CP stars are constructed based on the measurements of metal lines taken from the literature, and performed by the LSD method with an accuracy of 10-80 G. The model parameters are compared with the parameters obtained for the same stars from the hydrogen line measurements. For six out of nine stars the same type of structure was obtained. Some parameters, such as the field strength at the poles B p and the average surface magnetic field B s differ considerably in some stars due to differences in the amplitudes of phase dependences B e (Φ) and B s (Φ), obtained by different authors. It is noted that a significant increase in the measurement accuracy has little effect on the modelling of the large-scale structures of the field. By contrast, it is more important to construct the shape of the phase dependence based on a fairly large number of field measurements, evenly distributed by the rotation period phases. It is concluded that the Zeeman component measurement methods have a strong effect on the shape of the phase dependence, and that the measurements of the magnetic field based on the lines of hydrogen are more preferable for modelling the large-scale structures of the field.

  19. Numerical modeling of the acoustic guitar

    NASA Astrophysics Data System (ADS)

    Chaigne, Antoine; Derveaux, Grégoire; Joly, Patrick; Bécache, Eliane

    2003-10-01

    An interactive DVD has been created, based on a numerical model of the acoustic guitar. In a first chapter, the retained physical model is described and illustrated, from the pluck to the 3D radiation field. The second chapter is devoted to the presentation of the numerical tools used for solving the equations of the model. Numerical simulations of plate vibrations and radiated sound pressure are shown in the third chapter. A number of simulated sounds are presented and analyzed in the fourth chapter. In addition, the DVD includes a discussion between a guitar maker, an acoustician, a guitar player and a mathematician. This discussion is entitled ``towards a common language.'' Its aim is to show the interest of simulations with respect to complementary professional approaches of the instrument. This DVD received the Henri Poincaré Prize from the 8th Research Film Festival of Nancy (June 2003), sponsored by the CNRS, in the category ``Documents for the scientific community and illustrations of the research for teaching purpose.''

  20. Avoiding numerical pitfalls in social force models

    NASA Astrophysics Data System (ADS)

    Köster, Gerta; Treml, Franz; Gödel, Marion

    2013-06-01

    The social force model of Helbing and Molnár is one of the best known approaches to simulate pedestrian motion, a collective phenomenon with nonlinear dynamics. It is based on the idea that the Newtonian laws of motion mostly carry over to pedestrian motion so that human trajectories can be computed by solving a set of ordinary differential equations for velocity and acceleration. The beauty and simplicity of this ansatz are strong reasons for its wide spread. However, the numerical implementation is not without pitfalls. Oscillations, collisions, and instabilities occur even for very small step sizes. Classic solution ideas from molecular dynamics do not apply to the problem because the system is not Hamiltonian despite its source of inspiration. Looking at the model through the eyes of a mathematician, however, we realize that the right hand side of the differential equation is nondifferentiable and even discontinuous at critical locations. This produces undesirable behavior in the exact solution and, at best, severe loss of accuracy in efficient numerical schemes even in short range simulations. We suggest a very simple mollified version of the social force model that conserves the desired dynamic properties of the original many-body system but elegantly and cost efficiently resolves several of the issues concerning stability and numerical resolution.

  1. Avoiding numerical pitfalls in social force models.

    PubMed

    Köster, Gerta; Treml, Franz; Gödel, Marion

    2013-06-01

    The social force model of Helbing and Molnár is one of the best known approaches to simulate pedestrian motion, a collective phenomenon with nonlinear dynamics. It is based on the idea that the Newtonian laws of motion mostly carry over to pedestrian motion so that human trajectories can be computed by solving a set of ordinary differential equations for velocity and acceleration. The beauty and simplicity of this ansatz are strong reasons for its wide spread. However, the numerical implementation is not without pitfalls. Oscillations, collisions, and instabilities occur even for very small step sizes. Classic solution ideas from molecular dynamics do not apply to the problem because the system is not Hamiltonian despite its source of inspiration. Looking at the model through the eyes of a mathematician, however, we realize that the right hand side of the differential equation is nondifferentiable and even discontinuous at critical locations. This produces undesirable behavior in the exact solution and, at best, severe loss of accuracy in efficient numerical schemes even in short range simulations. We suggest a very simple mollified version of the social force model that conserves the desired dynamic properties of the original many-body system but elegantly and cost efficiently resolves several of the issues concerning stability and numerical resolution. PMID:23848804

  2. Advanced Numerical Model for Irradiated Concrete

    SciTech Connect

    Giorla, Alain B.

    2015-03-01

    In this report, we establish a numerical model for concrete exposed to irradiation to address these three critical points. The model accounts for creep in the cement paste and its coupling with damage, temperature and relative humidity. The shift in failure mode with the loading rate is also properly represented. The numerical model for creep has been validated and calibrated against different experiments in the literature [Wittmann, 1970, Le Roy, 1995]. Results from a simplified model are shown to showcase the ability of numerical homogenization to simulate irradiation effects in concrete. In future works, the complete model will be applied to the analysis of the irradiation experiments of Elleuch et al. [1972] and Kelly et al. [1969]. This requires a careful examination of the experimental environmental conditions as in both cases certain critical information are missing, including the relative humidity history. A sensitivity analysis will be conducted to provide lower and upper bounds of the concrete expansion under irradiation, and check if the scatter in the simulated results matches the one found in experiments. The numerical and experimental results will be compared in terms of expansion and loss of mechanical stiffness and strength. Both effects should be captured accordingly by the model to validate it. Once the model has been validated on these two experiments, it can be applied to simulate concrete from nuclear power plants. To do so, the materials used in these concrete must be as well characterized as possible. The main parameters required are the mechanical properties of each constituent in the concrete (aggregates, cement paste), namely the elastic modulus, the creep properties, the tensile and compressive strength, the thermal expansion coefficient, and the drying shrinkage. These can be either measured experimentally, estimated from the initial composition in the case of cement paste, or back-calculated from mechanical tests on concrete. If some

  3. An Accurate In Vitro Model of the E. coli Envelope

    PubMed Central

    Clifton, Luke A; Holt, Stephen A; Hughes, Arwel V; Daulton, Emma L; Arunmanee, Wanatchaporn; Heinrich, Frank; Khalid, Syma; Jefferies, Damien; Charlton, Timothy R; Webster, John R P; Kinane, Christian J; Lakey, Jeremy H

    2015-01-01

    Gram-negative bacteria are an increasingly serious source of antibiotic-resistant infections, partly owing to their characteristic protective envelope. This complex, 20 nm thick barrier includes a highly impermeable, asymmetric bilayer outer membrane (OM), which plays a pivotal role in resisting antibacterial chemotherapy. Nevertheless, the OM molecular structure and its dynamics are poorly understood because the structure is difficult to recreate or study in vitro. The successful formation and characterization of a fully asymmetric model envelope using Langmuir–Blodgett and Langmuir–Schaefer methods is now reported. Neutron reflectivity and isotopic labeling confirmed the expected structure and asymmetry and showed that experiments with antibacterial proteins reproduced published in vivo behavior. By closely recreating natural OM behavior, this model provides a much needed robust system for antibiotic development. PMID:26331292

  4. Hybridization modeling of oligonucleotide SNP arrays for accurate DNA copy number estimation

    PubMed Central

    Wan, Lin; Sun, Kelian; Ding, Qi; Cui, Yuehua; Li, Ming; Wen, Yalu; Elston, Robert C.; Qian, Minping; Fu, Wenjiang J

    2009-01-01

    Affymetrix SNP arrays have been widely used for single-nucleotide polymorphism (SNP) genotype calling and DNA copy number variation inference. Although numerous methods have achieved high accuracy in these fields, most studies have paid little attention to the modeling of hybridization of probes to off-target allele sequences, which can affect the accuracy greatly. In this study, we address this issue and demonstrate that hybridization with mismatch nucleotides (HWMMN) occurs in all SNP probe-sets and has a critical effect on the estimation of allelic concentrations (ACs). We study sequence binding through binding free energy and then binding affinity, and develop a probe intensity composite representation (PICR) model. The PICR model allows the estimation of ACs at a given SNP through statistical regression. Furthermore, we demonstrate with cell-line data of known true copy numbers that the PICR model can achieve reasonable accuracy in copy number estimation at a single SNP locus, by using the ratio of the estimated AC of each sample to that of the reference sample, and can reveal subtle genotype structure of SNPs at abnormal loci. We also demonstrate with HapMap data that the PICR model yields accurate SNP genotype calls consistently across samples, laboratories and even across array platforms. PMID:19586935

  5. Accurate determination of the superfluid-insulator transition in the one-dimensional Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Zakrzewski, Jakub; Delande, Dominique

    2008-11-01

    The quantum phase transition point between the insulator and the superfluid phase at unit filling factor of the infinite one-dimensional Bose-Hubbard model is numerically computed with a high accuracy. The method uses the infinite system version of the time evolving block decimation algorithm, here tested in a challenging case. We provide also the accurate estimate of the phase transition point at double occupancy.

  6. Numerical Model for Fish-Like Locomotion in Potential Flow

    NASA Astrophysics Data System (ADS)

    Melli-Huber, Juan; Rowley, Clarence; Rufat, Dzhelil; Kanso, Eva; Marsden, Jerrold

    2004-11-01

    An accurate yet tractable model of fish-like locomotion is essential for the design and control of underwater vehicles with advanced swimming capabilities and improved efficiency. Our emphasis is on developing a model that predicts forces and moments accurately, yet is simple enough to apply mathematical tools for analyzing robotic locomotion. We focus on modeling thunniform-type swimming in which a high-aspect ratio tail moves relative to a fairly rigid body. The fish is modeled as a discrete number of rigid bodies, which may represent the body, peduncle and tail. We have developed a numerical model to simulate the motion of rigid bodies in an inviscid, incompressible two-dimensional potential flow with no pre-existing vorticity. Although the flow is inviscid and there is no vorticity or mechanism for generating vorticity, the motion of the bodies will be coupled due to their added inertia terms. Unlike previous models, this work is not restricted to small amplitude motions, does not assume that the bodies are hydrodynamically decoupled and allows for arbitrary body geometry. We present gaits to achieve steering and forward motion and compare the result to a hydrodynamically decoupled model.

  7. Comparison between analytical and numerical solution of mathematical drying model

    NASA Astrophysics Data System (ADS)

    Shahari, N.; Rasmani, K.; Jamil, N.

    2016-02-01

    Drying is often related to the food industry as a process of shifting heat and mass inside food, which helps in preserving food. Previous research using a mass transfer equation showed that the results were mostly concerned with the comparison between the simulation model and the experimental data. In this paper, the finite difference method was used to solve a mass equation during drying using different kinds of boundary condition, which are equilibrium and convective boundary conditions. The results of these two models provide a comparison between the analytical and the numerical solution. The result shows a close match between the two solution curves. It is concluded that the two proposed models produce an accurate solution to describe the moisture distribution content during the drying process. This analysis indicates that we have confidence in the behaviour of moisture in the numerical simulation. This result demonstrated that a combined analytical and numerical approach prove that the system is behaving physically. Based on this assumption, the model of mass transfer was extended to include the temperature transfer, and the result shows a similar trend to those presented in the simpler case.

  8. Fast and accurate analytical model to solve inverse problem in SHM using Lamb wave propagation

    NASA Astrophysics Data System (ADS)

    Poddar, Banibrata; Giurgiutiu, Victor

    2016-04-01

    Lamb wave propagation is at the center of attention of researchers for structural health monitoring of thin walled structures. This is due to the fact that Lamb wave modes are natural modes of wave propagation in these structures with long travel distances and without much attenuation. This brings the prospect of monitoring large structure with few sensors/actuators. However the problem of damage detection and identification is an "inverse problem" where we do not have the luxury to know the exact mathematical model of the system. On top of that the problem is more challenging due to the confounding factors of statistical variation of the material and geometric properties. Typically this problem may also be ill posed. Due to all these complexities the direct solution of the problem of damage detection and identification in SHM is impossible. Therefore an indirect method using the solution of the "forward problem" is popular for solving the "inverse problem". This requires a fast forward problem solver. Due to the complexities involved with the forward problem of scattering of Lamb waves from damages researchers rely primarily on numerical techniques such as FEM, BEM, etc. But these methods are slow and practically impossible to be used in structural health monitoring. We have developed a fast and accurate analytical forward problem solver for this purpose. This solver, CMEP (complex modes expansion and vector projection), can simulate scattering of Lamb waves from all types of damages in thin walled structures fast and accurately to assist the inverse problem solver.

  9. Multiscale numerical modeling of levee breach processes

    NASA Astrophysics Data System (ADS)

    Kees, C. E.; Farthing, M. W.; Akkerman, I.; Bazilevs, Y.

    2010-12-01

    One of the dominant failure modes of levees during flood and storm surge events is erosion-based breach formation due to high velocity flow over the back (land-side) slope. Modeling the breaching process numerically is challenging due to both physical and geometric complexity that develops and evolves during the overtopping event. The surface water flows are aerated and sediment-laden mixtures in the supercritical and turbulent regimes. The air/water free surface may undergo perturbations on the same order as the depth or even topological change (breaking). Likewise the soil/fluid interface is characterized by evolving headcuts, which are essentially moving discontinuities in the soil surface elevation. The most widely used models of levee breaching are nevertheless based on depth-integrated models of flow, sediment transport, and bed morphology. In this work our objective is to explore models with less restrictive modeling assumptions, which have become computationally tractable due to advances in both numerical methods and high-performance computing hardware. In particular, we present formulations of fully three-dimensional flow, transport, and morphological evolution for overtopping and breaching processes and apply recently developed finite element and level set methods to solve the governing equations for relevant test problems.

  10. Numerical simulations and modeling of turbulent combustion

    NASA Astrophysics Data System (ADS)

    Cuenot, B.

    Turbulent combustion is the basic physical phenomenon responsible for efficient energy release by any internal combustion engine. However it is accompanied by other undesirable phenomena such as noise, pollutant species emission or damaging instabilities that may even lead to the system desctruction. It is then crucial to control this phenomenon, to understand all its mecanisms and to master it in industrial systems. For long time turbulent combustion has been explored only through theory and experiment. But the rapid increase of computers power during the last years has allowed an important development of numerical simulation, that has become today an essential tool for research and technical design. Direct numerical simulation has then allowed to rapidly progress in the knowledge of turbulent flame structures, leading to new modelisations for steady averaged simulations. Recently large eddy simulation has made a new step forward by refining the description of complex and unsteady flames. The main problem that arises when performing numerical simulation of turbulent combustion is linked to the description of the flame front. Being very thin, it can not however be reduced to a simple interface as it is the location of intense chemical transformation and of strong variations of thermodynamical quantities. Capturing the internal structure of a zone with a thickness of the order of 0.1 mm in a computation with a mesh step 10 times larger being impossible, it is necessary to model the turbulent flame. Models depend on the chemical structure of the flame, on the ambiant turbulence, on the combustion regime (flamelets, distributed combustion, etc.) and on the reactants injection mode (premixed or not). One finds then a large class of models, from the most simple algebraic model with a one-step chemical kinetics, to the most complex model involving probablity density functions, cross-correlations and multiple-step or fully complex chemical kinetics.

  11. An accurate halo model for fitting non-linear cosmological power spectra and baryonic feedback models

    NASA Astrophysics Data System (ADS)

    Mead, A. J.; Peacock, J. A.; Heymans, C.; Joudaki, S.; Heavens, A. F.

    2015-12-01

    We present an optimized variant of the halo model, designed to produce accurate matter power spectra well into the non-linear regime for a wide range of cosmological models. To do this, we introduce physically motivated free parameters into the halo-model formalism and fit these to data from high-resolution N-body simulations. For a variety of Λ cold dark matter (ΛCDM) and wCDM models, the halo-model power is accurate to ≃ 5 per cent for k ≤ 10h Mpc-1 and z ≤ 2. An advantage of our new halo model is that it can be adapted to account for the effects of baryonic feedback on the power spectrum. We demonstrate this by fitting the halo model to power spectra from the OWLS (OverWhelmingly Large Simulations) hydrodynamical simulation suite via parameters that govern halo internal structure. We are able to fit all feedback models investigated at the 5 per cent level using only two free parameters, and we place limits on the range of these halo parameters for feedback models investigated by the OWLS simulations. Accurate predictions to high k are vital for weak-lensing surveys, and these halo parameters could be considered nuisance parameters to marginalize over in future analyses to mitigate uncertainty regarding the details of feedback. Finally, we investigate how lensing observables predicted by our model compare to those from simulations and from HALOFIT for a range of k-cuts and feedback models and quantify the angular scales at which these effects become important. Code to calculate power spectra from the model presented in this paper can be found at https://github.com/alexander-mead/hmcode.

  12. Validation of an Accurate Three-Dimensional Helical Slow-Wave Circuit Model

    NASA Technical Reports Server (NTRS)

    Kory, Carol L.

    1997-01-01

    The helical slow-wave circuit embodies a helical coil of rectangular tape supported in a metal barrel by dielectric support rods. Although the helix slow-wave circuit remains the mainstay of the traveling-wave tube (TWT) industry because of its exceptionally wide bandwidth, a full helical circuit, without significant dimensional approximations, has not been successfully modeled until now. Numerous attempts have been made to analyze the helical slow-wave circuit so that the performance could be accurately predicted without actually building it, but because of its complex geometry, many geometrical approximations became necessary rendering the previous models inaccurate. In the course of this research it has been demonstrated that using the simulation code, MAFIA, the helical structure can be modeled with actual tape width and thickness, dielectric support rod geometry and materials. To demonstrate the accuracy of the MAFIA model, the cold-test parameters including dispersion, on-axis interaction impedance and attenuation have been calculated for several helical TWT slow-wave circuits with a variety of support rod geometries including rectangular and T-shaped rods, as well as various support rod materials including isotropic, anisotropic and partially metal coated dielectrics. Compared with experimentally measured results, the agreement is excellent. With the accuracy of the MAFIA helical model validated, the code was used to investigate several conventional geometric approximations in an attempt to obtain the most computationally efficient model. Several simplifications were made to a standard model including replacing the helical tape with filaments, and replacing rectangular support rods with shapes conforming to the cylindrical coordinate system with effective permittivity. The approximate models are compared with the standard model in terms of cold-test characteristics and computational time. The model was also used to determine the sensitivity of various

  13. Numerical modelling of swirling diffusive flames

    NASA Astrophysics Data System (ADS)

    Parra-Santos, Teresa; Perez, Ruben; Szasz, Robert Z.; Gutkowski, Artur N.; Castro, Francisco

    2016-03-01

    Computational Fluid Dynamics has been used to study the mixing and combustion of two confined jets whose setup and operating conditions are those of the benchmark of Roback and Johnson. Numerical model solves 3D transient Navier Stokes for turbulent and reactive flows. Averaged velocity profiles using RNG swirl dominated k-epsilon model have been validated with experimental measurements from other sources for the non reactive case. The combustion model is Probability Density Function. Bearing in mind the annular jet has swirl number over 0.5, a vortex breakdown appears in the axis of the burner. Besides, the sudden expansion with a ratio of 2 in diameter between nozzle exits and the test chamber produces the boundary layer separation with the corresponding torus shape recirculation. Contrasting the mixing and combustion models, the last one produces the reduction of the vortex breakdown.

  14. Numerical modeling of flowing soft materials

    NASA Astrophysics Data System (ADS)

    Toschi, Federico; Benzi, Roberto; Bernaschi, Massimo; Perlekar, Prasad; Sbragaglia, Mauro; Succi, Sauro

    2012-11-01

    The structural properties of soft-flowing and non-ergodic materials, such as emulsions, foams and gels shares similarities with the three basic states of matter (solid, liquid and gas). The macroscopic properties are characterized by non-standard features such as non-Newtonian rheology, long-time relaxation, caging effects, enhanced viscosity, structural arrest, hysteresis, dynamic disorder, aging and related phenomena. Large scale non-homogeneities can develop, even under simple shear conditions, by means of the formation of macroscopic bands of widely different viscosities (``shear banding'' phenomena). We employ a numerical model based on the Lattice Boltzmann method to perform numerical simulations of soft-matter under flowing conditions. Results of 3d simulations are presented and compared to previous 2d investigations.

  15. Accurate and Fast Simulation of Channel Noise in Conductance-Based Model Neurons by Diffusion Approximation

    PubMed Central

    Linaro, Daniele; Storace, Marco; Giugliano, Michele

    2011-01-01

    Stochastic channel gating is the major source of intrinsic neuronal noise whose functional consequences at the microcircuit- and network-levels have been only partly explored. A systematic study of this channel noise in large ensembles of biophysically detailed model neurons calls for the availability of fast numerical methods. In fact, exact techniques employ the microscopic simulation of the random opening and closing of individual ion channels, usually based on Markov models, whose computational loads are prohibitive for next generation massive computer models of the brain. In this work, we operatively define a procedure for translating any Markov model describing voltage- or ligand-gated membrane ion-conductances into an effective stochastic version, whose computer simulation is efficient, without compromising accuracy. Our approximation is based on an improved Langevin-like approach, which employs stochastic differential equations and no Montecarlo methods. As opposed to an earlier proposal recently debated in the literature, our approximation reproduces accurately the statistical properties of the exact microscopic simulations, under a variety of conditions, from spontaneous to evoked response features. In addition, our method is not restricted to the Hodgkin-Huxley sodium and potassium currents and is general for a variety of voltage- and ligand-gated ion currents. As a by-product, the analysis of the properties emerging in exact Markov schemes by standard probability calculus enables us for the first time to analytically identify the sources of inaccuracy of the previous proposal, while providing solid ground for its modification and improvement we present here. PMID:21423712

  16. Mathematical and Numerical Analyses of Peridynamics for Multiscale Materials Modeling

    SciTech Connect

    Du, Qiang

    2014-11-12

    The rational design of materials, the development of accurate and efficient material simulation algorithms, and the determination of the response of materials to environments and loads occurring in practice all require an understanding of mechanics at disparate spatial and temporal scales. The project addresses mathematical and numerical analyses for material problems for which relevant scales range from those usually treated by molecular dynamics all the way up to those most often treated by classical elasticity. The prevalent approach towards developing a multiscale material model couples two or more well known models, e.g., molecular dynamics and classical elasticity, each of which is useful at a different scale, creating a multiscale multi-model. However, the challenges behind such a coupling are formidable and largely arise because the atomistic and continuum models employ nonlocal and local models of force, respectively. The project focuses on a multiscale analysis of the peridynamics materials model. Peridynamics can be used as a transition between molecular dynamics and classical elasticity so that the difficulties encountered when directly coupling those two models are mitigated. In addition, in some situations, peridynamics can be used all by itself as a material model that accurately and efficiently captures the behavior of materials over a wide range of spatial and temporal scales. Peridynamics is well suited to these purposes because it employs a nonlocal model of force, analogous to that of molecular dynamics; furthermore, at sufficiently large length scales and assuming smooth deformation, peridynamics can be approximated by classical elasticity. The project will extend the emerging mathematical and numerical analysis of peridynamics. One goal is to develop a peridynamics-enabled multiscale multi-model that potentially provides a new and more extensive mathematical basis for coupling classical elasticity and molecular dynamics, thus enabling next

  17. Posttraumatic Orbital Emphysema: A Numerical Model

    PubMed Central

    Skorek, Andrzej; Kłosowski, Paweł; Plichta, Łukasz; Zmuda Trzebiatowski, Marcin; Lemski, Paweł

    2014-01-01

    Orbital emphysema is a common symptom accompanying orbital fracture. The pathomechanism is still not recognized and the usually assumed cause, elevated pressure in the upper airways connected with sneezing or coughing, does not always contribute to the occurrence of this type of fracture. Observations based on the finite model (simulating blowout type fracture) of the deformations of the inferior orbital wall after a strike in its lower rim. Authors created a computer numeric model of the orbit with specified features—thickness and resilience modulus. During simulation an evenly spread 14400 N force was applied to the nodular points in the inferior rim (the maximal value not causing cracking of the outer rim, but only ruptures in the inferior wall). The observation was made from 1 · 10−3 to 1 · 10−2 second after a strike. Right after a strike dislocations of the inferior orbital wall toward the maxillary sinus were observed. Afterwards a retrograde wave of the dislocation of the inferior wall toward the orbit was noticed. Overall dislocation amplitude reached about 6 mm. Based on a numeric model of the orbit submitted to a strike in the inferior wall an existence of a retrograde shock wave causing orbital emphysema has been found. PMID:25309749

  18. Posttraumatic orbital emphysema: a numerical model.

    PubMed

    Skorek, Andrzej; Kłosowski, Paweł; Plichta, Lukasz; Raczyńska, Dorota; Zmuda Trzebiatowski, Marcin; Lemski, Paweł

    2014-01-01

    Orbital emphysema is a common symptom accompanying orbital fracture. The pathomechanism is still not recognized and the usually assumed cause, elevated pressure in the upper airways connected with sneezing or coughing, does not always contribute to the occurrence of this type of fracture. Observations based on the finite model (simulating blowout type fracture) of the deformations of the inferior orbital wall after a strike in its lower rim. Authors created a computer numeric model of the orbit with specified features-thickness and resilience modulus. During simulation an evenly spread 14400 N force was applied to the nodular points in the inferior rim (the maximal value not causing cracking of the outer rim, but only ruptures in the inferior wall). The observation was made from 1 · 10(-3) to 1 · 10(-2) second after a strike. Right after a strike dislocations of the inferior orbital wall toward the maxillary sinus were observed. Afterwards a retrograde wave of the dislocation of the inferior wall toward the orbit was noticed. Overall dislocation amplitude reached about 6 mm. Based on a numeric model of the orbit submitted to a strike in the inferior wall an existence of a retrograde shock wave causing orbital emphysema has been found. PMID:25309749

  19. Numerical modeling for dilute and dense sprays

    NASA Technical Reports Server (NTRS)

    Chen, C. P.; Kim, Y. M.; Shang, H. M.; Ziebarth, J. P.; Wang, T. S.

    1992-01-01

    We have successfully implemented a numerical model for spray-combustion calculations. In this model, the governing gas-phase equations in Eulerian coordinate are solved by a time-marching multiple pressure correction procedure based on the operator-splitting technique. The droplet-phase equations in Lagrangian coordinate are solved by a stochastic discrete particle technique. In order to simplify the calculation procedure for the circulating droplets, the effective conductivity model is utilized. The k-epsilon models are utilized to characterize the time and length scales of the gas phase in conjunction with turbulent modulation by droplets and droplet dispersion by turbulence. This method entails random sampling of instantaneous gas flow properties and the stochastic process requires a large number of computational parcels to produce the satisfactory dispersion distributions even for rather dilute sprays. Two major improvements in spray combustion modelings were made. Firstly, we have developed a probability density function approach in multidimensional space to represent a specific computational particle. Secondly, we incorporate the Taylor Analogy Breakup (TAB) model for handling the dense spray effects. This breakup model is based on the reasonable assumption that atomization and drop breakup are indistinguishable processes within a dense spray near the nozzle exit. Accordingly, atomization is prescribed by injecting drops which have a characteristic size equal to the nozzle exit diameter. Example problems include the nearly homogeneous and inhomogeneous turbulent particle dispersion, and the non-evaporating, evaporating, and burning dense sprays. Comparison with experimental data will be discussed in detail.

  20. Numerical modeling of the SNS H- ion source

    NASA Astrophysics Data System (ADS)

    Veitzer, Seth A.; Beckwith, Kristian R. C.; Kundrapu, Madhusudhan; Stoltz, Peter H.

    2015-04-01

    Ion source rf antennas that produce H- ions can fail when plasma heating causes ablation of the insulating coating due to small structural defects such as cracks. Reducing antenna failures that reduce the operating capabilities of the Spallation Neutron Source (SNS) accelerator is one of the top priorities of the SNS H- Source Program at ORNL. Numerical modeling of ion sources can provide techniques for optimizing design in order to reduce antenna failures. There are a number of difficulties in developing accurate models of rf inductive plasmas. First, a large range of spatial and temporal scales must be resolved in order to accurately capture the physics of plasma motion, including the Debye length, rf frequencies on the order of tens of MHz, simulation time scales of many hundreds of rf periods, large device sizes on tens of cm, and ion motions that are thousands of times slower than electrons. This results in large simulation domains with many computational cells for solving plasma and electromagnetic equations, short time steps, and long-duration simulations. In order to reduce the computational requirements, one can develop implicit models for both fields and particle motions (e.g. divergence-preserving ADI methods), various electrostatic models, or magnetohydrodynamic models. We have performed simulations using all three of these methods and have found that fluid models have the greatest potential for giving accurate solutions while still being fast enough to perform long timescale simulations in a reasonable amount of time. We have implemented a number of fluid models with electromagnetics using the simulation tool USim and applied them to modeling the SNS H- ion source. We found that a reduced, single-fluid MHD model with an imposed magnetic field due to the rf antenna current and the confining multi-cusp field generated increased bulk plasma velocities of > 200 m/s in the region of the antenna where ablation is often observed in the SNS source. We report

  1. Handling geophysical flows: Numerical modelling using Graphical Processing Units

    NASA Astrophysics Data System (ADS)

    Garcia-Navarro, Pilar; Lacasta, Asier; Juez, Carmelo; Morales-Hernandez, Mario

    2016-04-01

    Computational tools may help engineers in the assessment of sediment transport during the decision-making processes. The main requirements are that the numerical results have to be accurate and simulation models must be fast. The present work is based on the 2D shallow water equations in combination with the 2D Exner equation [1]. The resulting numerical model accuracy was already discussed in previous work. Regarding the speed of the computation, the Exner equation slows down the already costly 2D shallow water model as the number of variables to solve is increased and the numerical stability is more restrictive. On the other hand, the movement of poorly sorted material over steep areas constitutes a hazardous environmental problem. Computational tools help in the predictions of such landslides [2]. In order to overcome this problem, this work proposes the use of Graphical Processing Units (GPUs) for decreasing significantly the simulation time [3, 4]. The numerical scheme implemented in GPU is based on a finite volume scheme. The mathematical model and the numerical implementation are compared against experimental and field data. In addition, the computational times obtained with the Graphical Hardware technology are compared against Single-Core (sequential) and Multi-Core (parallel) CPU implementations. References [Juez et al.(2014)] Juez, C., Murillo, J., & Garca-Navarro, P. (2014) A 2D weakly-coupled and efficient numerical model for transient shallow flow and movable bed. Advances in Water Resources. 71 93-109. [Juez et al.(2013)] Juez, C., Murillo, J., & Garca-Navarro, P. (2013) . 2D simulation of granular flow over irregular steep slopes using global and local coordinates. Journal of Computational Physics. 225 166-204. [Lacasta et al.(2014)] Lacasta, A., Morales-Hernndez, M., Murillo, J., & Garca-Navarro, P. (2014) An optimized GPU implementation of a 2D free surface simulation model on unstructured meshes Advances in Engineering Software. 78 1-15. [Lacasta

  2. Convecting reference frames and invariant numerical models

    NASA Astrophysics Data System (ADS)

    Bihlo, Alexander; Nave, Jean-Christophe

    2014-09-01

    In the recent paper by Bernardini et al. [1] the discrepancy in the performance of finite difference and spectral models for simulations of flows with a preferential direction of propagation was studied. In a simplified investigation carried out using the viscous Burgers equation the authors attributed the poorer numerical results of finite difference models to a violation of Galilean invariance in the discretization and propose to carry out the computations in a reference frame moving with the bulk velocity of the flow. Here we further discuss this problem and relate it to known results on invariant discretization schemes. Non-invariant and invariant finite difference discretizations of Burgers equation are proposed and compared with the discretization using the remedy proposed by Bernardini et al.

  3. Numerical modelling of morphodynamics—Vilaine Estuary

    NASA Astrophysics Data System (ADS)

    Vested, Hans Jacob; Tessier, Caroline; Christensen, Bo Brahtz; Goubert, Evelyne

    2013-04-01

    The main objective of this paper is to develop a method to simulate long-term morphodynamics of estuaries dominated by fine sediments, which are subject to both tidal flow and meteorologically induced variations in freshwater run-off and wave conditions. The method is tested on the Vilaine Estuary located in South Brittany, France. The estuary is subject to a meso-macrotidal regime. The semi-diurnal tidal range varies from around 2.5 to 5 m at neap and spring, respectively. The freshwater input is controlled by a dam located approximately 8 km from the mouth of the estuary. Sediments are characterised as mostly fines, but more sandy areas are also found. The morphology of the estuary is highly influenced by the dam. It is very dynamic and changes in a complicated manner with the run-off from the dam, the tide and the wave forcing at the mouth of the estuary. Extensive hydrodynamic and sediment field data have been collected in the past and provide a solid scientific basis for studying the estuary. Based on a conceptual understanding of the morphodynamics, a numerical morphological model with coupled hydrodynamic, surface wave and sediment transport models is formulated. The numerical models are calibrated to reproduce sediment concentrations, tidal flat altimetry and overall sediment fluxes. Scaling factors are applied to a reference year to form quasi-realistic hydrodynamic forcing and river run-off, which allow for the simulations to be extended to other years. The simulation results are compared with observed bathymetric changes in the estuary during the period 1998-2005. The models and scaling factors are applied to predict the morphological development over a time scale of up to 10 years. The influence of the initial conditions and the sequence of external hydrodynamic forcing, with respect to the morphodynamic response of the estuary, are discussed.

  4. Adaptive Numerical Algorithms in Space Weather Modeling

    NASA Technical Reports Server (NTRS)

    Toth, Gabor; vanderHolst, Bart; Sokolov, Igor V.; DeZeeuw, Darren; Gombosi, Tamas I.; Fang, Fang; Manchester, Ward B.; Meng, Xing; Nakib, Dalal; Powell, Kenneth G.; Stout, Quentin F.; Glocer, Alex; Ma, Ying-Juan; Opher, Merav

    2010-01-01

    Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different physics in different domains. A multi-physics system can be modeled by a software framework comprising of several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solar wind Roe Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamics (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit numerical

  5. Adaptive numerical algorithms in space weather modeling

    NASA Astrophysics Data System (ADS)

    Tóth, Gábor; van der Holst, Bart; Sokolov, Igor V.; De Zeeuw, Darren L.; Gombosi, Tamas I.; Fang, Fang; Manchester, Ward B.; Meng, Xing; Najib, Dalal; Powell, Kenneth G.; Stout, Quentin F.; Glocer, Alex; Ma, Ying-Juan; Opher, Merav

    2012-02-01

    Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different relevant physics in different domains. A multi-physics system can be modeled by a software framework comprising several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solarwind Roe-type Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamic (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit

  6. Explicit numerical solutions of a microbial survival model under nonisothermal conditions.

    PubMed

    Zhu, Si; Chen, Guibing

    2016-03-01

    Differential equations used to describe the original and modified Geeraerd models were, respectively, simplified into an explicit equation in which the integration of the specific inactivation rate with respect to time was numerically approximated using the Simpson's rule. The explicit numerical solutions were then used to simulate microbial survival curves and fit nonisothermal survival data for identifying model parameters in Microsoft Excel. The results showed that the explicit numerical solutions provided an easy way to accurately simulate microbial survival and estimate model parameters from nonisothermal survival data using the Geeraerd models. PMID:27004117

  7. DANA: distributed numerical and adaptive modelling framework.

    PubMed

    Rougier, Nicolas P; Fix, Jérémy

    2012-01-01

    DANA is a python framework ( http://dana.loria.fr ) whose computational paradigm is grounded on the notion of a unit that is essentially a set of time dependent values varying under the influence of other units via adaptive weighted connections. The evolution of a unit's value are defined by a set of differential equations expressed in standard mathematical notation which greatly ease their definition. The units are organized into groups that form a model. Each unit can be connected to any other unit (including itself) using a weighted connection. The DANA framework offers a set of core objects needed to design and run such models. The modeler only has to define the equations of a unit as well as the equations governing the training of the connections. The simulation is completely transparent to the modeler and is handled by DANA. This allows DANA to be used for a wide range of numerical and distributed models as long as they fit the proposed framework (e.g. cellular automata, reaction-diffusion system, decentralized neural networks, recurrent neural networks, kernel-based image processing, etc.). PMID:22994650

  8. New possibilities of accurate particle characterisation by applying direct boundary models to analytical centrifugation

    NASA Astrophysics Data System (ADS)

    Walter, Johannes; Thajudeen, Thaseem; Süß, Sebastian; Segets, Doris; Peukert, Wolfgang

    2015-04-01

    Analytical centrifugation (AC) is a powerful technique for the characterisation of nanoparticles in colloidal systems. As a direct and absolute technique it requires no calibration or measurements of standards. Moreover, it offers simple experimental design and handling, high sample throughput as well as moderate investment costs. However, the full potential of AC for nanoparticle size analysis requires the development of powerful data analysis techniques. In this study we show how the application of direct boundary models to AC data opens up new possibilities in particle characterisation. An accurate analysis method, successfully applied to sedimentation data obtained by analytical ultracentrifugation (AUC) in the past, was used for the first time in analysing AC data. Unlike traditional data evaluation routines for AC using a designated number of radial positions or scans, direct boundary models consider the complete sedimentation boundary, which results in significantly better statistics. We demonstrate that meniscus fitting, as well as the correction of radius and time invariant noise significantly improves the signal-to-noise ratio and prevents the occurrence of false positives due to optical artefacts. Moreover, hydrodynamic non-ideality can be assessed by the residuals obtained from the analysis. The sedimentation coefficient distributions obtained by AC are in excellent agreement with the results from AUC. Brownian dynamics simulations were used to generate numerical sedimentation data to study the influence of diffusion on the obtained distributions. Our approach is further validated using polystyrene and silica nanoparticles. In particular, we demonstrate the strength of AC for analysing multimodal distributions by means of gold nanoparticles.

  9. Submarine sand volcanos: experiments and numerical modelling

    NASA Astrophysics Data System (ADS)

    Philippe, P.; Ngoma, J.; Delenne, J.

    2012-12-01

    Fluid overpressure at the bottom of a soil layer may generate fracturation in preferential paths for a cohesive material. But the case of sandy soils is rather different: a significant internal flow is allowed within the material and can potentially induce hydro-mechanical instabilities whose most common example is fluidization. Many works have been devoted to fluidization but very few have the issue of initiation and development of a fluidized zone inside a granular bed, prior entire fluidization of the medium. In this contribution, we report experimental results and numerical simulations on a model system of immersed sand volcanos generated by a localized upward spring of liquid, injected at constant flow-rate at the bottom of a granular layer. Such a localized state of fluidization is relevant for some industrial processes (spouted bed, maintenance of navigable waterways,…) and for several geological issues (kimberlite volcano conduits, fluid venting, oil recovery in sandy soil, More precisely, what is presented here is a comparison between experiments, carried out by direct visualization throughout the medium, and numerical simulations, based on DEM modelling of the grains coupled to resolution of NS equations in the liquid phase (LBM). There is a very good agreement between the experimental phenomenology and the simulation results. When the flow-rate is increased, three regimes are successively observed: static bed, fluidized cavity that does not extend to the top of the layer, and finally fluidization over the entire height of layer that creates a fluidized chimney. A very strong hysteretic effect is present here with an extended range of stability for fluidized cavities when flow-rate is decreased back. This can be interpreted in terms force chains and arches. The influences of grain diameter, layer height and injection width are studied and interpreted using a model previously developed by Zoueshtiagh [1]. Finally, growing rate of the fluidized zone and

  10. Fast and Accurate Radiative Transfer Calculations Using Principal Component Analysis for (Exo-)Planetary Retrieval Models

    NASA Astrophysics Data System (ADS)

    Kopparla, P.; Natraj, V.; Shia, R. L.; Spurr, R. J. D.; Crisp, D.; Yung, Y. L.

    2015-12-01

    Radiative transfer (RT) computations form the engine of atmospheric retrieval codes. However, full treatment of RT processes is computationally expensive, prompting usage of two-stream approximations in current exoplanetary atmospheric retrieval codes [Line et al., 2013]. Natraj et al. [2005, 2010] and Spurr and Natraj [2013] demonstrated the ability of a technique using principal component analysis (PCA) to speed up RT computations. In the PCA method for RT performance enhancement, empirical orthogonal functions are developed for binned sets of inherent optical properties that possess some redundancy; costly multiple-scattering RT calculations are only done for those few optical states corresponding to the most important principal components, and correction factors are applied to approximate radiation fields. Kopparla et al. [2015, in preparation] extended the PCA method to a broadband spectral region from the ultraviolet to the shortwave infrared (0.3-3 micron), accounting for major gas absorptions in this region. Here, we apply the PCA method to a some typical (exo-)planetary retrieval problems. Comparisons between the new model, called Universal Principal Component Analysis Radiative Transfer (UPCART) model, two-stream models and line-by-line RT models are performed, for spectral radiances, spectral fluxes and broadband fluxes. Each of these are calculated at the top of the atmosphere for several scenarios with varying aerosol types, extinction and scattering optical depth profiles, and stellar and viewing geometries. We demonstrate that very accurate radiance and flux estimates can be obtained, with better than 1% accuracy in all spectral regions and better than 0.1% in most cases, as compared to a numerically exact line-by-line RT model. The accuracy is enhanced when the results are convolved to typical instrument resolutions. The operational speed and accuracy of UPCART can be further improved by optimizing binning schemes and parallelizing the codes, work

  11. Numerical Modeling of Ocular Dysfunction in Space

    NASA Technical Reports Server (NTRS)

    Nelson, Emily S.; Mulugeta, Lealem; Vera, J.; Myers, J. G.; Raykin, J.; Feola, A. J.; Gleason, R.; Samuels, B.; Ethier, C. R.

    2014-01-01

    Upon introduction to microgravity, the near-loss of hydrostatic pressure causes a marked cephalic (headward) shift of fluid in an astronaut's body. The fluid shift, along with other factors of spaceflight, induces a cascade of interdependent physiological responses which occur at varying time scales. Long-duration missions carry an increased risk for the development of the Visual Impairment and Intracranial Pressure (VIIP) syndrome, a spectrum of ophthalmic changes including posterior globe flattening, choroidal folds, distension of the optic nerve sheath, kinking of the optic nerve and potentially permanent degradation of visual function. In the cases of VIIP found to date, the initial onset of symptoms occurred after several weeks to several months of spaceflight, by which time the gross bodily fluid distribution is well established. We are developing a suite of numerical models to simulate the effects of fluid shift on the cardiovascular, central nervous and ocular systems. These models calculate the modified mean volumes, flow rates and pressures that are characteristic of the altered quasi-homeostatic state in microgravity, including intracranial and intraocular pressures. The results of the lumped models provide initial and boundary data to a 3D finite element biomechanics simulation of the globe, optic nerve head and retrobulbar subarachnoid space. The integrated set of models will be used to investigate the evolution of the biomechanical stress state in the ocular tissues due to long-term exposure to microgravity.

  12. Numerical modeling of transport barrier formation

    SciTech Connect

    Tokar, Mikhail Z.

    2010-04-01

    In diverse media the characteristics of mass and heat transfer may undergo spontaneous and abrupt changes in time and space. This can lead to the formation of regions with strongly reduced transport, so called transport barriers (TB). The presence of interfaces between regions with qualitatively and quantitatively different transport characteristics impose severe requirements to methods and numerical schemes used by solving of transport equations. In particular the assumptions made in standard methods about the solution behavior by representing its derivatives fail in points where the transport changes abruptly. The situation is complicated further by the fact that neither the formation time nor the positions of interfaces are known a priori. A numerical approach, operating reliably under such conditions, is proposed. It is based on the introduction of a new dependent variable related to the variation after one time step of the original one integrated over the volume. In the vicinity of any grid knot the resulting differential equation is approximated by a second order ordinary differential equation with constant coefficients. Exact analytical solutions of these equations are conjugated between knots by demanding the continuity of the total solution and its first derivative. As an example the heat transfer in media with heat conductivity decreasing abruptly when the temperature e-folding length exceeds a critical value is considered. The formation of TB both at a heating power above the critical level and caused with radiation energy losses non-linearly dependent on the temperature is modeled.

  13. In vivo irreversible electroporation kidney ablation: experimentally correlated numerical models.

    PubMed

    Neal, Robert E; Garcia, Paulo A; Kavnoudias, Helen; Rosenfeldt, Franklin; Mclean, Catriona A; Earl, Victoria; Bergman, Joanne; Davalos, Rafael V; Thomson, Kenneth R

    2015-02-01

    Irreversible electroporation (IRE) ablation uses brief electric pulses to kill a volume of tissue without damaging the structures contraindicated for surgical resection or thermal ablation, including blood vessels and ureters. IRE offers a targeted nephron-sparing approach for treating kidney tumors, but the relevant organ-specific electrical properties and cellular susceptibility to IRE electric pulses remain to be characterized. Here, a pulse protocol of 100 electric pulses, each 100 μs long, is delivered at 1 pulse/s to canine kidneys at three different voltage-to-distance ratios while measuring intrapulse current, completed 6 h before humane euthanasia. Numerical models were correlated with lesions and electrical measurements to determine electrical conductivity behavior and lethal electric field threshold. Three methods for modeling tissue response to the pulses were investigated (static, linear dynamic, and asymmetrical sigmoid dynamic), where the asymmetrical sigmoid dynamic conductivity function most accurately and precisely matched lesion dimensions, with a lethal electric field threshold of 575 ± 67 V/cm for the protocols used. The linear dynamic model also attains accurate predictions with a simpler function. These findings can aid renal IRE treatment planning under varying electrode geometries and pulse strengths. Histology showed a wholly necrotic core lesion at the highest electric fields, surrounded by a transitional perimeter of differential tissue viability dependent on renal structure. PMID:25265626

  14. Transient Numerical Modeling of Catalytic Channels

    NASA Technical Reports Server (NTRS)

    Struk, Peter M.; Dietrich, Daniel L.; Miller, Fletcher J.; T'ien, James S.

    2007-01-01

    This paper presents a transient model of catalytic combustion suitable for isolated channels and monolith reactors. The model is a lumped two-phase (gas and solid) model where the gas phase is quasi-steady relative to the transient solid. Axial diffusion is neglected in the gas phase; lateral diffusion, however, is accounted for using transfer coefficients. The solid phase includes axial heat conduction and external heat loss due to convection and radiation. The combustion process utilizes detailed gas and surface reaction models. The gas-phase model becomes a system of stiff ordinary differential equations while the solid phase reduces, after discretization, into a system of stiff ordinary differential-algebraic equations. The time evolution of the system came from alternating integrations of the quasi-steady gas and transient solid. This work outlines the numerical model and presents some sensitivity studies on important parameters including internal transfer coefficients, catalytic surface site density, and external heat-loss (if applicable). The model is compared to two experiments using CO fuel: (1) steady-state conversion through an isothermal platinum (Pt) tube and (2) transient propagation of a catalytic reaction inside a small Pt tube. The model requires internal mass-transfer resistance to match the experiments at lower residence times. Under mass-transport limited conditions, the model reasonably predicted exit conversion using global mass-transfer coefficients. Near light-off, the model results did not match the experiment precisely even after adjustment of mass-transfer coefficients. Agreement improved for the first case after adjusting the surface kinetics such that the net rate of CO adsorption increased compared to O2. The CO / O2 surface mechanism came from a sub-set of reactions in a popular CH4 / O2 mechanism. For the second case, predictions improved for lean conditions with increased external heat loss or adjustment of the kinetics as in the

  15. Numerical linearized MHD model of flapping oscillations

    NASA Astrophysics Data System (ADS)

    Korovinskiy, D. B.; Ivanov, I. B.; Semenov, V. S.; Erkaev, N. V.; Kiehas, S. A.

    2016-06-01

    Kink-like magnetotail flapping oscillations in a Harris-like current sheet with earthward growing normal magnetic field component Bz are studied by means of time-dependent 2D linearized MHD numerical simulations. The dispersion relation and two-dimensional eigenfunctions are obtained. The results are compared with analytical estimates of the double-gradient model, which are found to be reliable for configurations with small Bz up to values ˜ 0.05 of the lobe magnetic field. Coupled with previous results, present simulations confirm that the earthward/tailward growth direction of the Bz component acts as a switch between stable/unstable regimes of the flapping mode, while the mode dispersion curve is the same in both cases. It is confirmed that flapping oscillations may be triggered by a simple Gaussian initial perturbation of the Vz velocity.

  16. Two numerical models for landslide dynamic analysis

    NASA Astrophysics Data System (ADS)

    Hungr, Oldrich; McDougall, Scott

    2009-05-01

    Two microcomputer-based numerical models (Dynamic ANalysis (DAN) and three-dimensional model DAN (DAN3D)) have been developed and extensively used for analysis of landslide runout, specifically for the purposes of practical landslide hazard and risk assessment. The theoretical basis of both models is a system of depth-averaged governing equations derived from the principles of continuum mechanics. Original features developed specifically during this work include: an open rheological kernel; explicit use of tangential strain to determine the tangential stress state within the flowing sheet, which is both more realistic and beneficial to the stability of the model; orientation of principal tangential stresses parallel with the direction of motion; inclusion of the centripetal forces corresponding to the true curvature of the path in the motion direction and; the use of very simple and highly efficient free surface interpolation methods. Both models yield similar results when applied to the same sets of input data. Both algorithms are designed to work within the semi-empirical framework of the "equivalent fluid" approach. This approach requires selection of material rheology and calibration of input parameters through back-analysis of real events. Although approximate, it facilitates simple and efficient operation while accounting for the most important characteristics of extremely rapid landslides. The two models have been verified against several controlled laboratory experiments with known physical basis. A large number of back-analyses of real landslides of various types have also been carried out. One example is presented. Calibration patterns are emerging, which give a promise of predictive capability.

  17. Numerical modelling of ion transport in flames

    NASA Astrophysics Data System (ADS)

    Han, Jie; Belhi, Memdouh; Bisetti, Fabrizio; Mani Sarathy, S.

    2015-11-01

    This paper presents a modelling framework to compute the diffusivity and mobility of ions in flames. The (n, 6, 4) interaction potential is adopted to model collisions between neutral and charged species. All required parameters in the potential are related to the polarizability of the species pair via semi-empirical formulas, which are derived using the most recently published data or best estimates. The resulting framework permits computation of the transport coefficients of any ion found in a hydrocarbon flame. The accuracy of the proposed method is evaluated by comparing its predictions with experimental data on the mobility of selected ions in single-component neutral gases. Based on this analysis, the value of a model constant available in the literature is modified in order to improve the model's predictions. The newly determined ion transport coefficients are used as part of a previously developed numerical approach to compute the distribution of charged species in a freely propagating premixed lean CH4/O2 flame. Since a significant scatter of polarizability data exists in the literature, the effects of changes in polarizability on ion transport properties and the spatial distribution of ions in flames are explored. Our analysis shows that changes in polarizability propagate with decreasing effect from binary transport coefficients to species number densities. We conclude that the chosen polarizability value has a limited effect on the ion distribution in freely propagating flames. We expect that the modelling framework proposed here will benefit future efforts in modelling the effect of external voltages on flames. Supplemental data for this article can be accessed at http://dx.doi.org/10.1080/13647830.2015.1090018.

  18. Numerical modeling of odorant uptake in the rat nasal cavity.

    PubMed

    Yang, Geoffrey C; Scherer, Peter W; Zhao, Kai; Mozell, Maxwell M

    2007-03-01

    An anatomically accurate 3-dimensional numerical model of the right rat nasal cavity was developed and used to compute low, medium, and high flow rate inspiratory and expiratory mucosal odorant uptake (imposed patterning) for 3 odorants with different mucus solubilities. The computed surface mass flux distributions were compared with anatomic receptor gene expression zones identified in the literature. In general, simulations predicted that odorants that were highly soluble in mucus were absorbed dorsally and medially, corresponding roughly to receptors from one of the gene expression zones. Insoluble odorants tended to be absorbed more peripherally in the rat olfactory region corresponding to the other 2 zones. These findings also agreed in general with the electroolfactogram measurements and the voltage-sensitive dye measurements reported in the literature. This numerical approach is the first to predict detailed odorant flux information across the olfactory mucosa in the rat nasal cavity during inspiratory and expiratory flow and to relate it to anatomic olfactory receptor location, physiological function, and biochemical experiment. This numerical technique can allow us to separate the contributions of imposed and inherent patterning mechanisms on the rat olfactory mucosa. PMID:17220517

  19. Numerical Modeling of Suspension HVOF Spray

    NASA Astrophysics Data System (ADS)

    Jadidi, M.; Moghtadernejad, S.; Dolatabadi, A.

    2016-02-01

    A three-dimensional two-way coupled Eulerian-Lagrangian scheme is used to simulate suspension high-velocity oxy-fuel spraying process. The mass, momentum, energy, and species equations are solved together with the realizable k-ɛ turbulence model to simulate the gas phase. Suspension is assumed to be a mixture of solid particles [mullite powder (3Al2O3·2SiO2)], ethanol, and ethylene glycol. The process involves premixed combustion of oxygen-propylene, and non-premixed combustion of oxygen-ethanol and oxygen-ethylene glycol. One-step global reaction is used for each mentioned reaction together with eddy dissipation model to compute the reaction rate. To simulate the droplet breakup, Taylor Analogy Breakup model is applied. After the completion of droplet breakup, and solvent evaporation/combustion, the solid suspended particles are tracked through the domain to determine the characteristics of the coating particles. Numerical simulations are validated against the experimental results in the literature for the same operating conditions. Seven or possibly eight shock diamonds are captured outside the nozzle. In addition, a good agreement between the predicted particle temperature, velocity, and diameter, and the experiment is obtained. It is shown that as the standoff distance increases, the particle temperature and velocity reduce. Furthermore, a correlation is proposed to determine the spray cross-sectional diameter and estimate the particle trajectories as a function of standoff distance.

  20. Foehn wind detection using numerical modelling

    NASA Astrophysics Data System (ADS)

    Irimescu, A.; Caian, M.

    2010-09-01

    In Romania, foehn is a short-lived atmospheric phenomenon, of a low to average intensity, not always highlighted by weather station observations. When such situations occur additional data are resorted to, rendering a continuous, aggregate image, in comparison to the punctual information yielded by weather stations. This paper aims to describe how foehn is detected in northern Oltenia (the Inner Carpathian-Balkan Curvature), using numerical modelling. Results generated by the RegCM3 Regional Climatic Model thus represent an undisputed tool, their most important advantage being the 10-km spatial resolution. The presence of foehn in northern Oltenia and its climatic peculiarities have been disclosed through the analysis in time and space of the meteorological elements specific to the phenomenon (air temperature, wind speed and direction etc) over a 40-year interval (1961-2000). The paper presents a new methodology that can be used to estimate the probability of production and the foehn characteristics (intensity, duration etc.). Interpretation of the RegCM3 model results has led to the statistical analysis of foehn occurrences within the studied area during the cold season (December, January and February). The resulted climatology, with fine resolution, can be used in foehn forecast of predictability.

  1. Benchmarking numerical freeze/thaw models

    NASA Astrophysics Data System (ADS)

    Rühaak, Wolfram; Anbergen, Hauke; Molson, John; Grenier, Christophe; Sass, Ingo

    2015-04-01

    The modeling of freezing and thawing of water in porous media is of increasing interest, and for which very different application areas exist. For instance, the modeling of permafrost regression with respect to climate change issues is one area, while others include geotechnical applications in tunneling and for borehole heat exchangers which operate at temperatures below the freezing point. The modeling of these processes requires the solution of a coupled non-linear system of partial differential equations for flow and heat transport in space and time. Different code implementations have been developed in the past. Analytical solutions exist only for simple cases. Consequently, an interest has arisen in benchmarking different codes with analytical solutions, experiments and purely numerical results, similar to the long-standing DECOVALEX and the more recent "Geothermal Code Comparison" activities. The name for this freezing/ thawing benchmark consortium is INTERFROST. In addition to the well-known so-called Lunardini solution for a 1D case (case T1), two different 2D problems will be presented, one which represents melting of a frozen inclusion (case TH2) and another which represents the growth or thaw of permafrost around a talik (case TH3). These talik regions are important for controlling groundwater movement within a mainly frozen ground. First results of the different benchmark results will be shown and discussed.

  2. Numerical modeling of polar mesocyclones generation mechanisms

    NASA Astrophysics Data System (ADS)

    Sergeev, Dennis; Stepanenko, Victor

    2013-04-01

    parameters, lateral boundary conditions are varied in the typically observed range. The approach is fully nonlinear: we use a three-dimensional non-hydrostatic mesoscale model NH3D_MPI [1] coupled with one-dimensional water body model LAKE. A key method used in the present study is the analysis of eddy kinetic and available potential energy budgets. References 1. Mikushin, D.N., and Stepanenko, V.M., The implementation of regional atmospheric model numerical algorithms for CBEA-based clusters. Lecture Notes in Computer Science, Parallel Processing and Applied Mathematics, 2010, vol. 6067, p. 525-534. 2. Rasmussen, E., and Turner, J. (eds), Polar Lows: Mesoscale Weather Systems in the Polar Regions. Cambridge: Cambridge University Press, 2003, 612 pp. 3. Yanase, W., and Niino, H., Dependence of Polar Low Development on Baroclinicity and Physical Processes: An Idealized High-Resolution Experiment, J. Atmos. Sci., 2006, vol. 64, p. 3044-3067.

  3. Numerical geometry of map and model assessment.

    PubMed

    Wriggers, Willy; He, Jing

    2015-11-01

    We are describing best practices and assessment strategies for the atomic interpretation of cryo-electron microscopy (cryo-EM) maps. Multiscale numerical geometry strategies in the Situs package and in secondary structure detection software are currently evolving due to the recent increases in cryo-EM resolution. Criteria that aim to predict the accuracy of fitted atomic models at low (worse than 8Å) and medium (4-8 Å) resolutions remain challenging. However, a high level of confidence in atomic models can be achieved by combining such criteria. The observed errors are due to map-model discrepancies and due to the effect of imperfect global docking strategies. Extending the earlier motion capture approach developed for flexible fitting, we use simulated fiducials (pseudoatoms) at varying levels of coarse-graining to track the local drift of structural features. We compare three tracking approaches: naïve vector quantization, a smoothly deformable model, and a tessellation of the structure into rigid Voronoi cells, which are fitted using a multi-fragment refinement approach. The lowest error is an upper bound for the (small) discrepancy between the crystal structure and the EM map due to different conditions in their structure determination. When internal features such as secondary structures are visible in medium-resolution EM maps, it is possible to extend the idea of point-based fiducials to more complex geometric representations such as helical axes, strands, and skeletons. We propose quantitative strategies to assess map-model pairs when such secondary structure patterns are prominent. PMID:26416532

  4. Numerical Models of Ophiolite Genesis and Obduction

    NASA Astrophysics Data System (ADS)

    Guilmette, C.; Beaumont, C.; Jamieson, R.

    2013-12-01

    Ophiolites are relics of oceanic lithosphere tectonically emplaced in continental settings. They are diagnostic features of continental suture zones, where they mark past plate boundaries. Even after having been studied for more than 40 years, the mechanisms involved in the genesis and subsequent obduction of ophiolites over continental margins are still debated. We present the results of 2D thermal-mechanical numerical models that successfully reproduce characteristics of natural examples like the Semail, Bay of Islands, Yarlung-Zangbo, and Coast Range ophiolites. The numerical models are upper mantle scale and use pressure-, temperature- and strain-dependent viscous-plastic rheologies. Both divergent and convergent velocity boundary conditions are used and tectonic boundary forces are monitored. The models start with the rifting of a stable continent, followed by development of an ocean ridge and accretion of oceanic lithosphere at a total rate of 3 cm/y. Once a specified ocean size/age is achieved, the velocity boundary conditions are reversed leading to convergence and the spontaneous inception of a suduction zone at the mid-ocean ridge. We present results for models including different ages of oceans (40 to 90 Ma) and different convergence velocities (5 to 15 cm/y). The interaction between the lower plate passive margin and the oceanic upper plate results in 5 different tectonic styles. These differ mainly by the presence or absence of oceanic spreading in the upper plate (back-arc basin), leading to supra-subduction zone ophiolites vs. MORB-type, and by the behaviour of the oceanic slab, e.g., slab rollback vs. breakoff. The evolution of effective slab pull is interpreted to be the major control on the resulting tectonic style. Low effective slab pull models (young oceans and fast convergence rates) fail to obduct an ophiolite. Strong effective slab pull models (old oceans and lower convergence rates) result in subduction zone retreat and spontaneous oceanic

  5. Numerical models of wind-driven circulation in lakes

    USGS Publications Warehouse

    Cheng, R.T.; Powell, T.M.; Dillon, T.M.

    1976-01-01

    The state-of-the-art of numerical modelling of large-scale wind-driven circulation in lakes is presented. The governing equations which describe this motion are discussed along with the appropriate numerical techniques necessary to solve them in lakes. The numerical models are categorized into three large primary groups: the layered models, the Ekman-type models, and the other three-dimensional models. Discussions and comparison of models are given and future research directions are suggested. ?? 1976.

  6. Numerical modeling of subaqueous sand dune morphodynamics

    NASA Astrophysics Data System (ADS)

    Doré, Arnaud; Bonneton, Philippe; Marieu, Vincent; Garlan, Thierry

    2016-03-01

    The morphodynamic evolution of subaqueous sand dunes is investigated, using a 2-D Reynolds-averaged Navier-Stokes numerical model. A laboratory experiment where dunes are generated under stationary unidirectional flow conditions is used as a reference case. The model reproduces the evolution of the erodible bed until a state of equilibrium is reached. In particular, the simulation exhibits the different stages of the bed evolution, e.g., the incipient ripple generation, the nonlinear bed form growing phase, and the dune field equilibrium phase. The results show good agreement in terms of dune geometrical dimensions and time to equilibrium. After the emergence of the first ripple field, the bed growth is driven by cascading merging sequences between bed forms of different heights. A sequence extracted from the simulation shows how the downstream bed form is first eroded before merging with the upstream bed form. Superimposed bed forms emerge on the dune stoss sides during the simulation. An analysis of the results shows that they emerge downstream of a slight deflection on the dune profile. The deflection arises due to a modification of the sediment flux gradient consecutive to a reduction in the turbulence relaxation length while the upstream bed form height decreases. As they migrate, superimposed bed forms grow on the dune stoss side and eventually provoke the degeneration of the dune crest. Cascading merging sequences and superimposed bed forms dynamics both influence the dune field evolution and size and therefore play a fundamental role in the dune field self-organization process.

  7. Numerical modeling of fluidic flow meters

    NASA Astrophysics Data System (ADS)

    Choudhury, D.; Patel, B. R.

    1992-05-01

    The transient fluid flow in fluidic flow meters has been modeled using Creare.x's flow modeling computer program FLUENT/BFC that solves the Navier-Stokes equations in general curvilinear coordinates. The numerical predictions of fluid flow in a fluidic flow meter have been compared with the available experimental results for a particular design, termed the PC-4 design. Overall flow structures such as main jet bending, and primary and secondary vortices predicted by FLUENT/BFC are in excellent agreement with flow visualization results. The oscillation frequencies of the PC-4 design have been predicted for a range of flow rates encompassing laminar and turbulent flow and the results are in good agreement with experiments. The details of the flow field predictions reveal that an important factor that determines the onset of oscillations in the fluidic flow meter is the feedback jet momentum relative to the main jet momentum. The insights provided by the analysis of the PC-4 fluidic flow meter design have led to an improved design. The improved design has sustained oscillations at lower flow rates compared with the PC-4 design and has a larger rangeability.

  8. MONA: An accurate two-phase well flow model based on phase slippage

    SciTech Connect

    Asheim, H.

    1984-10-01

    In two phase flow, holdup and pressure loss are related to interfacial slippage. A model based on the slippage concept has been developed and tested using production well data from Forties, the Ekofisk area, and flowline data from Prudhoe Bay. The model developed turned out considerably more accurate than the standard models used for comparison.

  9. Understanding Etna flank instability through numerical models

    NASA Astrophysics Data System (ADS)

    Apuani, Tiziana; Corazzato, Claudia; Merri, Andrea; Tibaldi, Alessandro

    2013-02-01

    As many active volcanoes, Mount Etna shows clear evidence of flank instability, and different mechanisms were suggested to explain this flank dynamics, based on the recorded deformation pattern and character. Shallow and deep deformations, mainly associated with both eruptive and seismic events, are concentrated along recognised fracture and fault systems, mobilising the eastern and south-eastern flank of the volcano. Several interacting causes were postulated to control the phenomenon, including gravity force, magma ascent along the feeding system, and a very complex local and/or regional tectonic activity. Nevertheless, the complexity of such dynamics is still an open subject of research and being the volcano flanks heavily urbanised, the comprehension of the gravitative dynamics is a major issue for public safety and civil protection. The present research explores the effects of the main geological features (in particular the role of the subetnean clays, interposed between the Apennine-Maghrebian flysch and the volcanic products) and the role of weakness zones, identified by fracture and fault systems, on the slope instability process. The effects of magma intrusions are also investigated. The problem is addressed by integrating field data, laboratory tests and numerical modelling. A bi- and tri-dimensional stress-strain analysis was performed by a finite difference numerical code (FLAC and FLAC3D), mainly aimed at evaluating the relationship among geological features, volcano-tectonic structures and magmatic activity in controlling the deformation processes. The analyses are well supported by dedicated structural-mechanical field surveys, which allowed to estimate the rock mass strength and deformability parameters. To take into account the uncertainties which inevitably occur in a so complicated model, many efforts were done in performing a sensitivity analysis along a WNW-ESE section crossing the volcano summit and the Valle del Bove depression. This was

  10. Numerical model of circumpolar Antarctic ice shelves

    SciTech Connect

    Johnson, R.C.

    1985-01-01

    Extensive floating ice shelves in the Antarctic have been proposed to explain the discrepancies between Pleistocene high sea levels shown by dated coral reefs and coeval low sea levels inferred from glacial ice volumes calculated from oxygen isotope ratios in deep sea cores. A numerical model using the floating shelf creep analysis of Weertman (1957) has provided a plausible basis for the acceptance of such shelves. Shelf outer limits were set at 55/sup 0/S in East Antarctica and 58/sup 0/S in West Antarctica, based in part on diatom-deficient deep sea sediments deposited prior to the Holocene. Precipitation varied from 10 gm cm/sup -2/yr/sup -1/ at 75/sup 0/S to 80 gm cm/sup -2/yr/sup -1/ at 55/sup 0/S. Mean air temperatures varied from -35/sup 0/C at the 75/sup 0/S coast to -17/sup 0/C at the outer limits. Isotope ratios were those of present Antarctic precipitation at corresponding model shelf temperatures. In the calculation, a steady state is assumed. Integration begins at the coast with summation over successive years as creep and continental ice discharge move the integration element to the outer limits. The oceanic oxygen isotope ratio change required by the discrepancies in the record is 0.40 to 0.50 ppmil. Using the flow law constant of 4.2 and a creep activation energy of 134 kjoules mol/sup -1/, the resulting change is 0.44 ppmil. Difference results reflect the uncertainties associated with the critical creep constants used in the modeling. Nevertheless, the results suggest that a quantity of Antarctic shelf ice comparable to ice volumes in major Northern glacial areas existed at times during the Pleistocene.

  11. Creation of Anatomically Accurate Computer-Aided Design (CAD) Solid Models from Medical Images

    NASA Technical Reports Server (NTRS)

    Stewart, John E.; Graham, R. Scott; Samareh, Jamshid A.; Oberlander, Eric J.; Broaddus, William C.

    1999-01-01

    Most surgical instrumentation and implants used in the world today are designed with sophisticated Computer-Aided Design (CAD)/Computer-Aided Manufacturing (CAM) software. This software automates the mechanical development of a product from its conceptual design through manufacturing. CAD software also provides a means of manipulating solid models prior to Finite Element Modeling (FEM). Few surgical products are designed in conjunction with accurate CAD models of human anatomy because of the difficulty with which these models are created. We have developed a novel technique that creates anatomically accurate, patient specific CAD solids from medical images in a matter of minutes.

  12. Numerical parameter constraints for accurate PIC-DSMC simulation of breakdown from arc initiation to stable arcs

    NASA Astrophysics Data System (ADS)

    Moore, Christopher; Hopkins, Matthew; Moore, Stan; Boerner, Jeremiah; Cartwright, Keith

    2015-09-01

    Simulation of breakdown is important for understanding and designing a variety of applications such as mitigating undesirable discharge events. Such simulations need to be accurate through early time arc initiation to late time stable arc behavior. Here we examine constraints on the timestep and mesh size required for arc simulations using the particle-in-cell (PIC) method with direct simulation Monte Carlo (DMSC) collisions. Accurate simulation of electron avalanche across a fixed voltage drop and constant neutral density (reduced field of 1000 Td) was found to require a timestep ~ 1/100 of the mean time between collisions and a mesh size ~ 1/25 the mean free path. These constraints are much smaller than the typical PIC-DSMC requirements for timestep and mesh size. Both constraints are related to the fact that charged particles are accelerated by the external field. Thus gradients in the electron energy distribution function can exist at scales smaller than the mean free path and these must be resolved by the mesh size for accurate collision rates. Additionally, the timestep must be small enough that the particle energy change due to the fields be small in order to capture gradients in the cross sections versus energy. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

  13. An accurate modeling, simulation, and analysis tool for predicting and estimating Raman LIDAR system performance

    NASA Astrophysics Data System (ADS)

    Grasso, Robert J.; Russo, Leonard P.; Barrett, John L.; Odhner, Jefferson E.; Egbert, Paul I.

    2007-09-01

    BAE Systems presents the results of a program to model the performance of Raman LIDAR systems for the remote detection of atmospheric gases, air polluting hydrocarbons, chemical and biological weapons, and other molecular species of interest. Our model, which integrates remote Raman spectroscopy, 2D and 3D LADAR, and USAF atmospheric propagation codes permits accurate determination of the performance of a Raman LIDAR system. The very high predictive performance accuracy of our model is due to the very accurate calculation of the differential scattering cross section for the specie of interest at user selected wavelengths. We show excellent correlation of our calculated cross section data, used in our model, with experimental data obtained from both laboratory measurements and the published literature. In addition, the use of standard USAF atmospheric models provides very accurate determination of the atmospheric extinction at both the excitation and Raman shifted wavelengths.

  14. Numerical Modelling of Mesoscale Atmospheric Dispersion.

    NASA Astrophysics Data System (ADS)

    Moran, Michael D.

    Mesoscale atmospheric dispersion is more complicated than smaller-scale dispersion because the mean wind field can no longer be considered steady or horizontally homogeneous over mesoscale time and space scales. Wind shear also plays a more important role on the mesoscale, and horizontal dispersion can be enhanced and even dominated by vertical wind shear through either the simultaneous or delayed interaction of horizontal differential advection and vertical mixing over one or two diurnal periods. The CSU mesoscale atmospheric dispersion modelling system has been used in this study to simulate the transport and diffusion of a perfluorocarbon gas for episodic releases made during two North American mesoscale dispersion field experiments, the 1980 Great Plains tracer experiment and the 1983 Cross-Appalachian Tracer Experiment (CAPTEX). Ground -level and elevated tracer concentrations were measured out to distances of 600 km from the source in the first experiment and 1100 km in the second. The physiography of the two experimental domains was quite different, permitting isolation and examination of the roles of terrain forcing and differential advection in mesoscale atmospheric dispersion. Suites of numerical experiments of increasing complexity were carried out for both case studies. The experiments differed in the realism of their representation of both the synoptic-scale flow and the underlying terrain. The Great Plains nocturnal low-level jet played an important role in the first case while temporal changes in the synoptic -scale flow were very significant in the second case. The contributions of differential advection and mesoscale deformation to mesoscale dispersion dominated those of small-scale turbulent diffusion for both cases, and Pasquill's (1962) delayed-shear-enhancement mechanism for lateral dispersion was found to be particularly important. This study was also the first quantitative evaluation of the CSU mesoscale dispersion modelling system with

  15. Numerical Simulations of Two Wildfire Events Using a Combined Modeling System (HIGRAD/BEHAVE)

    SciTech Connect

    Reisner, J.; Bossert, J.; Winterkamp, J.

    1997-12-31

    The ability to accurately forecast the spread of a wildfire would significantly reduce human suffering and loss of life, the destruction of property, and expenditures for assessment and recovery. To help achieve this goal we have developed a model which accurately simulates the interactions between winds and the heat source associated with a wildfire. We have termed our new model HIGRAD or High resolution model for strong GRA-Dient applications. HIGRAD employs a sophisticated numerical technique to prevent numerical Oscillations from occurring in the vicinity of the lire. Of importance for fire modeling, HIGRAD uses a numerical technique which allows for the use of a compressible equation set, but without the time-step restrictions associated with the propagation of sound-waves.

  16. A Parametric Approach to Numerical Modeling of TKR Contact Forces

    PubMed Central

    Lundberg, Hannah J.; Foucher, Kharma C.; Wimmer, Markus A.

    2009-01-01

    In vivo knee contact forces are difficult to determine using numerical methods because there are more unknown forces than equilibrium equations available. We developed parametric methods for computing contact forces across the knee joint during the stance phase of level walking. Three-dimensional contact forces were calculated at two points of contact between the tibia and the femur, one on the lateral aspect of the tibial plateau, and one on the medial side. Muscle activations were parametrically varied over their physiologic range resulting in a solution space of contact forces. The obtained solution space was reasonably small and the resulting force pattern compared well to a previous model from the literature for kinematics and external kinetics from the same patient. Peak forces of the parametric model and the previous model were similar for the first half of the stance phase, but differed for the second half. The previous model did not take into account the transverse external moment about the knee and could not calculate muscle activation levels. Ultimately, the parametric model will result in more accurate contact force inputs for total knee simulators, as current inputs are not generally based on kinematics and kinetics inputs from TKR patients. PMID:19155015

  17. Standards and Guidelines for Numerical Models for Tsunami Hazard Mitigation

    NASA Astrophysics Data System (ADS)

    Titov, V.; Gonzalez, F.; Kanoglu, U.; Yalciner, A.; Synolakis, C. E.

    2006-12-01

    An increased number of nations around the workd need to develop tsunami mitigation plans which invariably involve inundation maps for warning guidance and evacuation planning. There is the risk that inundation maps may be produced with older or untested methodology, as there are currently no standards for modeling tools. In the aftermath of the 2004 megatsunami, some models were used to model inundation for Cascadia events with results much larger than sediment records and existing state-of-the-art studies suggest leading to confusion among emergency management. Incorrectly assessing tsunami impact is hazardous, as recent events in 2006 in Tonga, Kythira, Greece and Central Java have suggested (Synolakis and Bernard, 2006). To calculate tsunami currents, forces and runup on coastal structures, and inundation of coastlines one must calculate the evolution of the tsunami wave from the deep ocean to its target site, numerically. No matter what the numerical model, validation (the process of ensuring that the model solves the parent equations of motion accurately) and verification (the process of ensuring that the model used represents geophysical reality appropriately) both are an essential. Validation ensures that the model performs well in a wide range of circumstances and is accomplished through comparison with analytical solutions. Verification ensures that the computational code performs well over a range of geophysical problems. A few analytic solutions have been validated themselves with laboratory data. Even fewer existing numerical models have been both validated with the analytical solutions and verified with both laboratory measurements and field measurements, thus establishing a gold standard for numerical codes for inundation mapping. While there is in principle no absolute certainty that a numerical code that has performed well in all the benchmark tests will also produce correct inundation predictions with any given source motions, validated codes

  18. New possibilities of accurate particle characterisation by applying direct boundary models to analytical centrifugation.

    PubMed

    Walter, Johannes; Thajudeen, Thaseem; Süss, Sebastian; Segets, Doris; Peukert, Wolfgang

    2015-04-21

    Analytical centrifugation (AC) is a powerful technique for the characterisation of nanoparticles in colloidal systems. As a direct and absolute technique it requires no calibration or measurements of standards. Moreover, it offers simple experimental design and handling, high sample throughput as well as moderate investment costs. However, the full potential of AC for nanoparticle size analysis requires the development of powerful data analysis techniques. In this study we show how the application of direct boundary models to AC data opens up new possibilities in particle characterisation. An accurate analysis method, successfully applied to sedimentation data obtained by analytical ultracentrifugation (AUC) in the past, was used for the first time in analysing AC data. Unlike traditional data evaluation routines for AC using a designated number of radial positions or scans, direct boundary models consider the complete sedimentation boundary, which results in significantly better statistics. We demonstrate that meniscus fitting, as well as the correction of radius and time invariant noise significantly improves the signal-to-noise ratio and prevents the occurrence of false positives due to optical artefacts. Moreover, hydrodynamic non-ideality can be assessed by the residuals obtained from the analysis. The sedimentation coefficient distributions obtained by AC are in excellent agreement with the results from AUC. Brownian dynamics simulations were used to generate numerical sedimentation data to study the influence of diffusion on the obtained distributions. Our approach is further validated using polystyrene and silica nanoparticles. In particular, we demonstrate the strength of AC for analysing multimodal distributions by means of gold nanoparticles. PMID:25789666

  19. Analysis of single ring infiltrometer test by direct numerical modeling

    NASA Astrophysics Data System (ADS)

    Réfloch, Aurore; Oxarango, Laurent; Rossier, Yvan; Gaudet, Jean Paul

    2016-04-01

    The well field of the Lyon metropolitan area provides drinking water to approximately 1,300,000 inhabitants. It is equipped with 12 infiltration basins. These basins have two main goals: sustaining the water table in times of peak demand for water, and preventing a possible contamination from the Rhône river by inverting groundwater flow direction. The water infiltration under the basins is thus crucial for the overall hydrogeologic behavior of the site. In order to characterize this phenomenon, a set of infiltrometer tests were performed to estimate the soil hydraulic properties. The soil is a coarse alluvial deposits. In order to deal with its sparse granulometric curve, a large single ring infiltrometer (1 meter in diameter) was used. A constant hydraulic head (=0.07 m) was imposed during the test. Two kinds of data are recorded: the amount of water infiltrated over time and the extension of the moisture stain around the ring. The main hydraulic properties are estimated using Richard's equation in a 2D axi-symmetric configuration. Simulations are performed using a finite element commercial software package (Comsol Multiphysics 5.1). According to simplified numerical models, an average homogeneous saturated permeability of the alluvial deposits is estimated at 5.0 10-6 m.s-1. However, such a simple model is not able to represent accurately the moisture stain at the soil surface. More complex models introduce anisotropy of permeability in the alluvium layer, with mono or bi-layer domain. In these cases, experimental and modeling results are consistent, both for the amount of water infiltrated over time and the extension of the moisture stain around the ring. The hydraulic anisotropy in the soil could be due to the stratified nature of alluvial deposits and to soil compaction during the construction of infiltration basins. Keywords: Single ring infiltrometer test, artificial aquifer recharge, numerical modeling.

  20. Towards more accurate wind and solar power prediction by improving NWP model physics

    NASA Astrophysics Data System (ADS)

    Steiner, Andrea; Köhler, Carmen; von Schumann, Jonas; Ritter, Bodo

    2014-05-01

    nighttime to well mixed conditions during the day presents a big challenge to NWP models. Fast decrease and successive increase in hub-height wind speed after sunrise, and the formation of nocturnal low level jets will be discussed. For PV, the life cycle of low stratus clouds and fog is crucial. Capturing these processes correctly depends on the accurate simulation of diffusion or vertical momentum transport and the interaction with other atmospheric and soil processes within the numerical weather model. Results from Single Column Model simulations and 3d case studies will be presented. Emphasis is placed on wind forecasts; however, some references to highlights concerning the PV-developments will also be given. *) ORKA: Optimierung von Ensembleprognosen regenerativer Einspeisung für den Kürzestfristbereich am Anwendungsbeispiel der Netzsicherheitsrechnungen **) EWeLiNE: Erstellung innovativer Wetter- und Leistungsprognosemodelle für die Netzintegration wetterabhängiger Energieträger, www.projekt-eweline.de

  1. Fast and stable numerical method for neuronal modelling

    NASA Astrophysics Data System (ADS)

    Hashemi, Soheil; Abdolali, Ali

    2016-11-01

    Excitable cell modelling is of a prime interest in predicting and targeting neural activity. Two main limits in solving related equations are speed and stability of numerical method. Since there is a tradeoff between accuracy and speed, most previously presented methods for solving partial differential equations (PDE) are focused on one side. More speed means more accurate simulations and therefore better device designing. By considering the variables in finite differenced equation in proper time and calculating the unknowns in the specific sequence, a fast, stable and accurate method is introduced in this paper for solving neural partial differential equations. Propagation of action potential in giant axon is studied by proposed method and traditional methods. Speed, consistency and stability of the methods are compared and discussed. The proposed method is as fast as forward methods and as stable as backward methods. Forward methods are known as fastest methods and backward methods are stable in any circumstances. Complex structures can be simulated by proposed method due to speed and stability of the method.

  2. Antenna modeling considerations for accurate SAR calculations in human phantoms in close proximity to GSM cellular base station antennas.

    PubMed

    van Wyk, Marnus J; Bingle, Marianne; Meyer, Frans J C

    2005-09-01

    International bodies such as International Commission on Non-Ionizing Radiation Protection (ICNIRP) and the Institute for Electrical and Electronic Engineering (IEEE) make provision for human exposure assessment based on SAR calculations (or measurements) and basic restrictions. In the case of base station exposure this is mostly applicable to occupational exposure scenarios in the very near field of these antennas where the conservative reference level criteria could be unnecessarily restrictive. This study presents a variety of critical aspects that need to be considered when calculating SAR in a human body close to a mobile phone base station antenna. A hybrid FEM/MoM technique is proposed as a suitable numerical method to obtain accurate results. The verification of the FEM/MoM implementation has been presented in a previous publication; the focus of this study is an investigation into the detail that must be included in a numerical model of the antenna, to accurately represent the real-world scenario. This is accomplished by comparing numerical results to measurements for a generic GSM base station antenna and appropriate, representative canonical and human phantoms. The results show that it is critical to take the disturbance effect of the human phantom (a large conductive body) on the base station antenna into account when the antenna-phantom spacing is less than 300 mm. For these small spacings, the antenna structure must be modeled in detail. The conclusion is that it is feasible to calculate, using the proposed techniques and methodology, accurate occupational compliance zones around base station antennas based on a SAR profile and basic restriction guidelines. PMID:15931680

  3. ACCURATE UNIVERSAL MODELS FOR THE MASS ACCRETION HISTORIES AND CONCENTRATIONS OF DARK MATTER HALOS

    SciTech Connect

    Zhao, D. H.; Jing, Y. P.; Mo, H. J.; Boerner, G.

    2009-12-10

    A large amount of observations have constrained cosmological parameters and the initial density fluctuation spectrum to a very high accuracy. However, cosmological parameters change with time and the power index of the power spectrum dramatically varies with mass scale in the so-called concordance LAMBDACDM cosmology. Thus, any successful model for its structural evolution should work well simultaneously for various cosmological models and different power spectra. We use a large set of high-resolution N-body simulations of a variety of structure formation models (scale-free, standard CDM, open CDM, and LAMBDACDM) to study the mass accretion histories, the mass and redshift dependence of concentrations, and the concentration evolution histories of dark matter halos. We find that there is significant disagreement between the much-used empirical models in the literature and our simulations. Based on our simulation results, we find that the mass accretion rate of a halo is tightly correlated with a simple function of its mass, the redshift, parameters of the cosmology, and of the initial density fluctuation spectrum, which correctly disentangles the effects of all these factors and halo environments. We also find that the concentration of a halo is strongly correlated with the universe age when its progenitor on the mass accretion history first reaches 4% of its current mass. According to these correlations, we develop new empirical models for both the mass accretion histories and the concentration evolution histories of dark matter halos, and the latter can also be used to predict the mass and redshift dependence of halo concentrations. These models are accurate and universal: the same set of model parameters works well for different cosmological models and for halos of different masses at different redshifts, and in the LAMBDACDM case the model predictions match the simulation results very well even though halo mass is traced to about 0.0005 times the final mass

  4. Precise numerical modeling of next generation multimode fiber based links

    NASA Astrophysics Data System (ADS)

    Maksymiuk, L.; Stepniak, G.

    2015-12-01

    In order to numerically model modern multimode fiber based links we are required to take into account modal and chromatic dispersion, profile dispersion and spectral dependent coupling. In this paper we propose a complete numerical model which not only is precise but also versatile. Additionally to the detailed mathematical description of the model we provide also a bunch of numerical calculations performed with the use of the model.

  5. Numerical-analytical modeling of the Earth's pole oscillations

    NASA Astrophysics Data System (ADS)

    Markov, Y.; Filippova, A.

    2015-08-01

    For the purpose of more accurate forecasting the oscillatory process of the Earth pole in time periods with significant anomalies (irregular deviations) a numerical-analytical approach is presented for the combined modeling of the interdependent dynamical processes - the oscillatory-rotational motion of the Earth and the time dependent coefficients of the geopotential. The oscillations of the inertia tensor components of the Earth depend on various factors such as mechanical and physical parameters of the planet, the motions of the tide-generating bodies and observed large scale natural events. Time variations of these and some other factors affect the Earth orientation parameters. The generalization of the previously researched mathematical model of Chandler and annual oscillations of the Earth pole is being held with the use of celestial mechanics methods and the mathematical description of the Earth gravitational field's temporal variations. The latter makes possible to improve the forecast precision of the Earth pole trajectory. Also the more precise model is to have small number of parameters and to agree with the previously developed one (to have the same structural features and to have a correspondence between the averaged dynamical parameters and the parameters of the basic model).

  6. On the time to steady state: insights from numerical modeling

    NASA Astrophysics Data System (ADS)

    Goren, L.; Willett, S.; McCoy, S. W.; Perron, J.

    2013-12-01

    How fast do fluvial landscapes approach steady state after an application of tectonic or climatic perturbation? While theory and some numerical models predict that the celerity of the advective wave (knickpoint) controls the response time for perturbations, experiments and other landscape evolution models demonstrate that the time to steady state is much longer than the theoretically predicted response time. We posit that the longevity of transient features and the time to steady state are controlled by the stability of the topology and geometry of channel networks. Evolution of a channel network occurs by a combination of discrete capture events and continuous migration of water divides, processes, which are difficult to represent accurately in landscape evolution models. We therefore address the question of the time to steady state using the DAC landscape evolution model that solves accurately for the location of water divides, using a combination of analytical solution for hillslopes and low-order channels together with a numerical solution for higher order channels. DAC also includes an explicit capture criterion. We have tested fundamental predictions from DAC and show that modeled networks reproduce natural network characteristics such as the Hack's exponent and coefficient and the fractal dimension. We define two steady-state criteria: a topographic steady state, defined by global, pointwise steady elevation, and a topological steady state defined as the state in which no further reorganization of the drainage network takes place. Analyzing block uplift simulations, we find that the time to achieve either topographic or topological steady state exceeds by an order of magnitude the theoretical response time of the fluvial network. The longevity of the transient state is the result of the area feedback, by which, migration of a divide changes the local contributing area. This change propagates downstream as a slope adjustment, forcing further divide migrations

  7. Effects of the inlet conditions and blood models on accurate prediction of hemodynamics in the stented coronary arteries

    NASA Astrophysics Data System (ADS)

    Jiang, Yongfei; Zhang, Jun; Zhao, Wanhua

    2015-05-01

    Hemodynamics altered by stent implantation is well-known to be closely related to in-stent restenosis. Computational fluid dynamics (CFD) method has been used to investigate the hemodynamics in stented arteries in detail and help to analyze the performances of stents. In this study, blood models with Newtonian or non-Newtonian properties were numerically investigated for the hemodynamics at steady or pulsatile inlet conditions respectively employing CFD based on the finite volume method. The results showed that the blood model with non-Newtonian property decreased the area of low wall shear stress (WSS) compared with the blood model with Newtonian property and the magnitude of WSS varied with the magnitude and waveform of the inlet velocity. The study indicates that the inlet conditions and blood models are all important for accurately predicting the hemodynamics. This will be beneficial to estimate the performances of stents and also help clinicians to select the proper stents for the patients.

  8. Numerical models for high beta magnetohydrodynamic flow

    SciTech Connect

    Brackbill, J.U.

    1987-01-01

    The fundamentals of numerical magnetohydrodynamics for highly conducting, high-beta plasmas are outlined. The discussions emphasize the physical properties of the flow, and how elementary concepts in numerical analysis can be applied to the construction of finite difference approximations that capture these features. The linear and nonlinear stability of explicit and implicit differencing in time is examined, the origin and effect of numerical diffusion in the calculation of convective transport is described, and a technique for maintaining solenoidality in the magnetic field is developed. Many of the points are illustrated by numerical examples. The techniques described are applicable to the time-dependent, high-beta flows normally encountered in magnetically confined plasmas, plasma switches, and space and astrophysical plasmas. 40 refs.

  9. An improvement in the numerical integration procedure used in the NASA Marshall engineering thermosphere model

    NASA Technical Reports Server (NTRS)

    Hickey, Michael Philip

    1988-01-01

    A proposed replacement scheme for the integration of the barometric and diffusion equations in the NASA Marshall Engineering Thermosphere (MET) model is presented. This proposed integration scheme is based on Gaussian Quadrature. Extensive numerical testing reveals it to be faster, more accurate and more reliable than the present integration scheme (a modified form of Simpson's Rule) used in the MET model. Numerous graphical examples are provided, along with a listing of a modified form of the MET model in which subroutine INTEGRATE (using Simpson's Rule) is replaced by subroutine GAUSS (which uses Gaussian Quadrature). It is recommended that the Gaussian Quadrature integration scheme, as used here, be used in the MET model.

  10. Improving light propagation Monte Carlo simulations with accurate 3D modeling of skin tissue

    SciTech Connect

    Paquit, Vincent C; Price, Jeffery R; Meriaudeau, Fabrice; Tobin Jr, Kenneth William

    2008-01-01

    In this paper, we present a 3D light propagation model to simulate multispectral reflectance images of large skin surface areas. In particular, we aim to simulate more accurately the effects of various physiological properties of the skin in the case of subcutaneous vein imaging compared to existing models. Our method combines a Monte Carlo light propagation model, a realistic three-dimensional model of the skin using parametric surfaces and a vision system for data acquisition. We describe our model in detail, present results from the Monte Carlo modeling and compare our results with those obtained with a well established Monte Carlo model and with real skin reflectance images.

  11. Addendum to `numerical modeling of an enhanced very early time electromagnetic (VETEM) prototype system'

    USGS Publications Warehouse

    Cui, T.J.; Chew, W.C.; Aydiner, A.A.; Wright, D.L.; Smith, D.V.; Abraham, J.D.

    2000-01-01

    Two numerical models to simulate an enhanced very early time electromagnetic (VETEM) prototype system that is used for buried-object detection and environmental problems are presented. In the first model, the transmitting and receiving loop antennas accurately analyzed using the method of moments (MoM), and then conjugate gradient (CG) methods with the fast Fourier transform (FFT) are utilized to investigate the scattering from buried conducting plates. In the second model, two magnetic dipoles are used to replace the transmitter and receiver. Both the theory and formulation are correct and the simulation results for the primary magnetic field and the reflected magnetic field are accurate.

  12. Large-signal numerical and analytical HBT models

    SciTech Connect

    Teeter, D.A.; East, J.R.; Mains, R.K.; Haddad, G.I. )

    1993-05-01

    Several large-signal HBT models are investigated in this paper to determine their usefulness at millimeter-wave frequencies. The most detailed model involves numerically solving moments of the Boltzmann Transport Equation. A description of the numerical model is given along with several simulated results. The numerical model is then used to evaluate two analytical HBT models, the conventional Gummel-Poon model and a modified Ebers-Moll model. It is found that the commonly used Gummel-Poon model exhibits poor agreement with numerical and experimental data at millimeter-wave frequencies due to neglect of transit-time delays. Improved agreement between measured and modeled data result by including transit-time effects in an Ebers-Moll model. This simple model has direct application to millimeter-wave power amplifier and oscillator design. Several measured results are presented to help verify the simple model.

  13. Validation of Numerical Shallow Water Models for Tidal Lagoons

    SciTech Connect

    Eliason, D.; Bourgeois, A.

    1999-11-01

    An analytical solution is presented for the case of a stratified, tidally forced lagoon. This solution, especially its energetics, is useful for the validation of numerical shallow water models under stratified, tidally forced conditions. The utility of the analytical solution for validation is demonstrated for a simple finite difference numerical model. A comparison is presented of the energetics of the numerical and analytical solutions in terms of the convergence of model results to the analytical solution with increasing spatial and temporal resolution.

  14. Advanced in turbulence physics and modeling by direct numerical simulations

    NASA Technical Reports Server (NTRS)

    Reynolds, W. C.

    1987-01-01

    The advent of direct numerical simulations of turbulence has opened avenues for research on turbulence physics and turbulence modeling. Direct numerical simulation provides values for anything that the scientist or modeler would like to know about the flow. An overview of some recent advances in the physical understanding of turbulence and in turbulence modeling obtained through such simulations is presented.

  15. A two-dimensional depth-integrated non-hydrostatic numerical model for nearshore wave propagation

    NASA Astrophysics Data System (ADS)

    Lu, Xinhua; Dong, Bingjiang; Mao, Bing; Zhang, Xiaofeng

    2015-12-01

    In this study, we develop a shallow-water depth-integrated non-hydrostatic numerical model (SNH model) using a hybrid finite-volume and finite-difference method. Numerical discretization is performed using the non-incremental pressure-correction method on a collocated grid. We demonstrate that an extension can easily be made from an existing finite-volume method and collocated-grid based hydrostatic shallow-water equations (SWE) model to a non-hydrostatic model. A series of benchmark tests are used to validate the proposed numerical model. Our results demonstrate that the proposed model is robust and well-balanced, and it captures the wet-dry fronts accurately. A comparison between the SNH and SWE models indicates the importance of considering the wave dispersion effect in simulations when the wave amplitude to water depth ratio is large.

  16. Numerical solution of a microbial growth model applied to dynamic environments.

    PubMed

    Zhu, Si; Chen, Guibing

    2015-05-01

    The Baranyi and Roberts model is one of the most frequently used microbial growth models. It has been successfully applied to numerous studies of various microorganisms in different food products. Under dynamic conditions, the model is implicitly formulated as a set of two coupled differential equations which could be numerically solved using the Runge-Kutta method. In this study, a simplified numerical solution of the coupled differential equations was derived and used to simulate microbial growth under dynamic conditions in Microsoft Excel. As expected, the results obtained were the same as those from solving the coupled differential equations using a MATLAB Solver. In addition, model parameters were accurately identified by fitting the numerical solution to simulated growth curves under dynamic (time-varying) temperature conditions using the Microsoft Excel Solver. PMID:25765150

  17. Numerical considerations for Lagrangian stochastic dispersion models: Eliminating rogue trajectories, and the importance of numerical accuracy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    When Lagrangian stochastic models for turbulent dispersion are applied to complex flows, some type of ad hoc intervention is almost always necessary to eliminate unphysical behavior in the numerical solution. This paper discusses numerical considerations when solving the Langevin-based particle velo...

  18. Numerical Modeling of Global Atmospheric Chemical Transport with Wavelet-based Adaptive Mesh Refinement

    NASA Astrophysics Data System (ADS)

    Rastigejev, Y.; Semakin, A. N.

    2012-12-01

    In this work we present a multilevel Wavelet-based Adaptive Mesh Refinement (WAMR) method for numerical modeling of global atmospheric chemical transport problems. An accurate numerical simulation of such problems presents an enormous challenge. Atmospheric Chemical Transport Models (CTMs) combine chemical reactions with meteorologically predicted atmospheric advection and turbulent mixing. The resulting system of multi-scale advection-reaction-diffusion equations is extremely stiff, nonlinear and involves a large number of chemically interacting species. As a consequence, the need for enormous computational resources for solving these equations imposes severe limitations on the spatial resolution of the CTMs implemented on uniform or quasi-uniform grids. In turn, this relatively crude spatial resolution results in significant numerical diffusion introduced into the system. This numerical diffusion is shown to noticeably distort the pollutant mixing and transport dynamics for typically used grid resolutions. The developed WAMR method for numerical modeling of atmospheric chemical evolution equations presented in this work provides a significant reduction in the computational cost, without upsetting numerical accuracy, therefore it addresses the numerical difficulties described above. WAMR method introduces a fine grid in the regions where sharp transitions occur and cruder grid in the regions of smooth solution behavior. Therefore WAMR results in much more accurate solutions than conventional numerical methods implemented on uniform or quasi-uniform grids. The algorithm allows one to provide error estimates of the solution that are used in conjunction with appropriate threshold criteria to adapt the non-uniform grid. The method has been tested for a variety of problems including numerical simulation of traveling pollution plumes. It was shown that pollution plumes in the remote troposphere can propagate as well-defined layered structures for two weeks or more as

  19. Advanced material modelling in numerical simulation of primary acetabular press-fit cup stability.

    PubMed

    Souffrant, R; Zietz, C; Fritsche, A; Kluess, D; Mittelmeier, W; Bader, R

    2012-01-01

    Primary stability of artificial acetabular cups, used for total hip arthroplasty, is required for the subsequent osteointegration and good long-term clinical results of the implant. Although closed-cell polymer foams represent an adequate bone substitute in experimental studies investigating primary stability, correct numerical modelling of this material depends on the parameter selection. Material parameters necessary for crushable foam plasticity behaviour were originated from numerical simulations matched with experimental tests of the polymethacrylimide raw material. Experimental primary stability tests of acetabular press-fit cups consisting of static shell assembly with consecutively pull-out and lever-out testing were subsequently simulated using finite element analysis. Identified and optimised parameters allowed the accurate numerical reproduction of the raw material tests. Correlation between experimental tests and the numerical simulation of primary implant stability depended on the value of interference fit. However, the validated material model provides the opportunity for subsequent parametric numerical studies. PMID:22817471

  20. The generation and use of numerical shape models for irregular Solar System objects

    NASA Technical Reports Server (NTRS)

    Simonelli, Damon P.; Thomas, Peter C.; Carcich, Brian T.; Veverka, Joseph

    1993-01-01

    We describe a procedure that allows the efficient generation of numerical shape models for irregular Solar System objects, where a numerical model is simply a table of evenly spaced body-centered latitudes and longitudes and their associated radii. This modeling technique uses a combination of data from limbs, terminators, and control points, and produces shape models that have some important advantages over analytical shape models. Accurate numerical shape models make it feasible to study irregular objects with a wide range of standard scientific analysis techniques. These applications include the determination of moments of inertia and surface gravity, the mapping of surface locations and structural orientations, photometric measurement and analysis, the reprojection and mosaicking of digital images, and the generation of albedo maps. The capabilities of our modeling procedure are illustrated through the development of an accurate numerical shape model for Phobos and the production of a global, high-resolution, high-pass-filtered digital image mosaic of this Martian moon. Other irregular objects that have been modeled, or are being modeled, include the asteroid Gaspra and the satellites Deimos, Amalthea, Epimetheus, Janus, Hyperion, and Proteus.

  1. On the accuracy of numerical integration over the unit sphere applied to full network models

    NASA Astrophysics Data System (ADS)

    Itskov, Mikhail

    2016-05-01

    This paper is motivated by a recent study by Verron (Mecha Mater 89:216-228, 2015) which revealed huge errors of the numerical integration over the unit sphere in application to large strain problems. For the verification of numerical integration schemes we apply here other analytical integrals over the unit sphere which demonstrate much more accurate results. Relative errors of these integrals with respect to corresponding analytical solutions are evaluated also for a full network model of rubber elasticity based on a Padé approximation of the inverse Langevin function as the chain force. According to the results of our study, the numerical integration over the unit sphere can still be considered as a reliable and accurate tool for full network models.

  2. Conceptual and Numerical Models for UZ Flow and Transport

    SciTech Connect

    H. Liu

    2000-03-03

    The purpose of this Analysis/Model Report (AMR) is to document the conceptual and numerical models used for modeling of unsaturated zone (UZ) fluid (water and air) flow and solute transport processes. This is in accordance with ''AMR Development Plan for U0030 Conceptual and Numerical Models for Unsaturated Zone (UZ) Flow and Transport Processes, Rev 00''. The conceptual and numerical modeling approaches described in this AMR are used for models of UZ flow and transport in fractured, unsaturated rock under ambient and thermal conditions, which are documented in separate AMRs. This AMR supports the UZ Flow and Transport Process Model Report (PMR), the Near Field Environment PMR, and the following models: Calibrated Properties Model; UZ Flow Models and Submodels; Mountain-Scale Coupled Processes Model; Thermal-Hydrologic-Chemical (THC) Seepage Model; Drift Scale Test (DST) THC Model; Seepage Model for Performance Assessment (PA); and UZ Radionuclide Transport Models.

  3. Numerically pricing American options under the generalized mixed fractional Brownian motion model

    NASA Astrophysics Data System (ADS)

    Chen, Wenting; Yan, Bowen; Lian, Guanghua; Zhang, Ying

    2016-06-01

    In this paper, we introduce a robust numerical method, based on the upwind scheme, for the pricing of American puts under the generalized mixed fractional Brownian motion (GMFBM) model. By using portfolio analysis and applying the Wick-Itô formula, a partial differential equation (PDE) governing the prices of vanilla options under the GMFBM is successfully derived for the first time. Based on this, we formulate the pricing of American puts under the current model as a linear complementarity problem (LCP). Unlike the classical Black-Scholes (B-S) model or the generalized B-S model discussed in Cen and Le (2011), the newly obtained LCP under the GMFBM model is difficult to be solved accurately because of the numerical instability which results from the degeneration of the governing PDE as time approaches zero. To overcome this difficulty, a numerical approach based on the upwind scheme is adopted. It is shown that the coefficient matrix of the current method is an M-matrix, which ensures its stability in the maximum-norm sense. Remarkably, we have managed to provide a sharp theoretic error estimate for the current method, which is further verified numerically. The results of various numerical experiments also suggest that this new approach is quite accurate, and can be easily extended to price other types of financial derivatives with an American-style exercise feature under the GMFBM model.

  4. Numerical performance of projection methods in finite element consolidation models

    NASA Astrophysics Data System (ADS)

    Gambolati, Giuseppe; Pini, Giorgio; Ferronato, Massimiliano

    2001-12-01

    Projection, or conjugate gradient like, methods are becoming increasingly popular for the efficient solution of large sparse sets of unsymmetric indefinite equations arising from the numerical integration of (initial) boundary value problems. One such problem is soil consolidation coupling a flow and a structural model, typically solved by finite elements (FE) in space and a marching scheme in time (e.g. the Crank-Nicolson scheme). The attraction of a projection method stems from a number of factors, including the ease of implementation, the requirement of limited core memory and the low computational cost if a cheap and effective matrix preconditioner is available. In the present paper, biconjugate gradient stabilized (Bi- CGSTAB) is used to solve FE consolidation equations in 2-D and 3-D settings with variable time integration steps. Three different nodal orderings are selected along with the preconditioner ILUT based on incomplete triangular factorization and variable fill-in. The overall cost of the solver is made up of the preconditioning cost plus the cost to converge which is in turn related to the number of iterations and the elementary operations required by each iteration. The results show that nodal ordering affects the perfor mance of Bi-CGSTAB. For normally conditioned consolidation problems Bi-CGSTAB with the best ILUT preconditioner may converge in a number of iterations up to two order of magnitude smaller than the size of the FE model and proves an accurate, cost-effective and robust alternative to direct methods.

  5. Numerical modeling of seismic waves using frequency-adaptive meshes

    NASA Astrophysics Data System (ADS)

    Hu, Jinyin; Jia, Xiaofeng

    2016-08-01

    An improved modeling algorithm using frequency-adaptive meshes is applied to meet the computational requirements of all seismic frequency components. It automatically adopts coarse meshes for low-frequency computations and fine meshes for high-frequency computations. The grid intervals are adaptively calculated based on a smooth inversely proportional function of grid size with respect to the frequency. In regular grid-based methods, the uniform mesh or non-uniform mesh is used for frequency-domain wave propagators and it is fixed for all frequencies. A too coarse mesh results in inaccurate high-frequency wavefields and unacceptable numerical dispersion; on the other hand, an overly fine mesh may cause storage and computational overburdens as well as invalid propagation angles of low-frequency wavefields. Experiments on the Padé generalized screen propagator indicate that the Adaptive mesh effectively solves these drawbacks of regular fixed-mesh methods, thus accurately computing the wavefield and its propagation angle in a wide frequency band. Several synthetic examples also demonstrate its feasibility for seismic modeling and migration.

  6. NUMERICAL MODELING OF FINE SEDIMENT PHYSICAL PROCESSES.

    USGS Publications Warehouse

    Schoellhamer, David H.

    1985-01-01

    Fine sediment in channels, rivers, estuaries, and coastal waters undergo several physical processes including flocculation, floc disruption, deposition, bed consolidation, and resuspension. This paper presents a conceptual model and reviews mathematical models of these physical processes. Several general fine sediment models that simulate some of these processes are reviewed. These general models do not directly simulate flocculation and floc disruption, but the conceptual model and existing functions are shown to adequately model these two processes for one set of laboratory data.

  7. Identification of accurate nonlinear rainfall-runoff models with unique parameters

    NASA Astrophysics Data System (ADS)

    Schoups, G.; Vrugt, J. A.; Fenicia, F.; van de Giesen, N.

    2009-04-01

    We propose a strategy to identify models with unique parameters that yield accurate streamflow predictions, given a time-series of rainfall inputs. The procedure consists of five general steps. First, an a priori range of model structures is specified based on prior general and site-specific hydrologic knowledge. To this end, we rely on a flexible model code that allows a specification of a wide range of model structures, from simple to complex. Second, using global optimization each model structure is calibrated to a record of rainfall-runoff data, yielding optimal parameter values for each model structure. Third, accuracy of each model structure is determined by estimating model prediction errors using independent validation and statistical theory. Fourth, parameter identifiability of each calibrated model structure is estimated by means of Monte Carlo Markov Chain simulation. Finally, an assessment is made about each model structure in terms of its accuracy of mimicking rainfall-runoff processes (step 3), and the uniqueness of its parameters (step 4). The procedure results in the identification of the most complex and accurate model supported by the data, without causing parameter equifinality. As such, it provides insight into the information content of the data for identifying nonlinear rainfall-runoff models. We illustrate the method using rainfall-runoff data records from several MOPEX basins in the US.

  8. Two-Dimensional Numerical Modeling of Anthropogenic Beach Berm Erosion

    NASA Astrophysics Data System (ADS)

    Shakeri Majd, M.; Schubert, J.; Gallien, T.; Sanders, B. F.

    2014-12-01

    Anthropogenic beach berms (sometimes called artificial berms or artificial dunes) temporarily enhance the ability of beaches to withstand overtopping and thus guard against coastal flooding. However, the combination of a rising tide, storm surge, and/or waves may erode anthropogenic berms in a matter of hours or less and cause flooding [1]. Accurate forecasts of coastal flooding therefore demand the ability to predict where and when berms fail and the volume of water that overtops into defended coastal lowlands. Here, a two-dimensional numerical model of swash zone waves and erosion is examined as a tool for predicting the erosion of anthropogenic beach berms. The 2D model is known as a Debris Flow Model (DFM) because it tightly couples flow and sediment transport within an approximate Riemann solver and is able to resolve shocks in fluid/sediment interface [2]. The DFM also includes a two dimensional avalanching scheme to account for gravity-driven slumping of steep slopes. The performance of the DFM is examined with field-scale anthropogenic berm erosion data collected at Newport Beach, California. Results show that the DFM can be applied in the swash zone to resolve wave-by-wave flow and sediment transport. Results also show that it is possible to calibrate the model for a particular event, and then predict erosion for another event, but predictions are sensitive to model parameters, such as erosion and avalanching. References: [1] Jochen E. Schubert, Timu W. Gallien, Morteza Shakeri Majd, and Brett F. Sanders. Terrestrial laser scanning of anthropogenic beach berm erosion and overtopping. Journal of Coastal Research In-Press, 2014. [2] Morteza Shakeri Majd and Brett F. Sanders. The LHLLC scheme for Two-Layer and Two-Phase transcritical flows over a mobile bed with avalanching, wetting and drying. Advances in Water Resources, 64, 16-31, 2014.

  9. Accurate and efficient modeling of global seismic wave propagation for an attenuative Earth model including the center

    NASA Astrophysics Data System (ADS)

    Toyokuni, Genti; Takenaka, Hiroshi

    2012-06-01

    We propose a method for modeling global seismic wave propagation through an attenuative Earth model including the center. This method enables accurate and efficient computations since it is based on the 2.5-D approach, which solves wave equations only on a 2-D cross section of the whole Earth and can correctly model 3-D geometrical spreading. We extend a numerical scheme for the elastic waves in spherical coordinates using the finite-difference method (FDM), to solve the viscoelastodynamic equation. For computation of realistic seismic wave propagation, incorporation of anelastic attenuation is crucial. Since the nature of Earth material is both elastic solid and viscous fluid, we should solve stress-strain relations of viscoelastic material, including attenuative structures. These relations represent the stress as a convolution integral in time, which has had difficulty treating viscoelasticity in time-domain computation such as the FDM. However, we now have a method using so-called memory variables, invented in the 1980s, followed by improvements in Cartesian coordinates. Arbitrary values of the quality factor (Q) can be incorporated into the wave equation via an array of Zener bodies. We also introduce the multi-domain, an FD grid of several layers with different grid spacings, into our FDM scheme. This allows wider lateral grid spacings with depth, so as not to perturb the FD stability criterion around the Earth center. In addition, we propose a technique to avoid the singularity problem of the wave equation in spherical coordinates at the Earth center. We develop a scheme to calculate wavefield variables on this point, based on linear interpolation for the velocity-stress, staggered-grid FDM. This scheme is validated through a comparison of synthetic seismograms with those obtained by the Direct Solution Method for a spherically symmetric Earth model, showing excellent accuracy for our FDM scheme. As a numerical example, we apply the method to simulate seismic

  10. Numerical bifurcation analysis of immunological models with time delays

    NASA Astrophysics Data System (ADS)

    Luzyanina, Tatyana; Roose, Dirk; Bocharov, Gennady

    2005-12-01

    In recent years, a large number of mathematical models that are described by delay differential equations (DDEs) have appeared in the life sciences. To analyze the models' dynamics, numerical methods are necessary, since analytical studies can only give limited results. In turn, the availability of efficient numerical methods and software packages encourages the use of time delays in mathematical modelling, which may lead to more realistic models. We outline recently developed numerical methods for bifurcation analysis of DDEs and illustrate the use of these methods in the analysis of a mathematical model of human hepatitis B virus infection.

  11. Numerical modeling of waveguide heated microwave plasmas

    SciTech Connect

    Venkateswaran, S.; Schwer, D.A.; Merkle, C.L.

    1993-12-01

    Waveguide-heated microwave plasmas for space propulsion applications are analyzed by a two-dimensional numerical solution of the combined Navier-Stokes and Maxwell equations. Two waveguide configurations -- one purely transmitting and the other with a reflecting end wall -- are considered. Plasma stability and absorption characteristics are studied and contrasted with the characteristic of resonant cavity heated plasmas. In addition, preliminary estimates of the overall efficiency and the thrust and specific impulse of the propulsion system are also made. The computational results are used to explain experimental trends and to better understand the working of these devices.

  12. Development of modified cable models to simulate accurate neuronal active behaviors

    PubMed Central

    2014-01-01

    In large network and single three-dimensional (3-D) neuron simulations, high computing speed dictates using reduced cable models to simulate neuronal firing behaviors. However, these models are unwarranted under active conditions and lack accurate representation of dendritic active conductances that greatly shape neuronal firing. Here, realistic 3-D (R3D) models (which contain full anatomical details of dendrites) of spinal motoneurons were systematically compared with their reduced single unbranched cable (SUC, which reduces the dendrites to a single electrically equivalent cable) counterpart under passive and active conditions. The SUC models matched the R3D model's passive properties but failed to match key active properties, especially active behaviors originating from dendrites. For instance, persistent inward currents (PIC) hysteresis, frequency-current (FI) relationship secondary range slope, firing hysteresis, plateau potential partial deactivation, staircase currents, synaptic current transfer ratio, and regional FI relationships were not accurately reproduced by the SUC models. The dendritic morphology oversimplification and lack of dendritic active conductances spatial segregation in the SUC models caused significant underestimation of those behaviors. Next, SUC models were modified by adding key branching features in an attempt to restore their active behaviors. The addition of primary dendritic branching only partially restored some active behaviors, whereas the addition of secondary dendritic branching restored most behaviors. Importantly, the proposed modified models successfully replicated the active properties without sacrificing model simplicity, making them attractive candidates for running R3D single neuron and network simulations with accurate firing behaviors. The present results indicate that using reduced models to examine PIC behaviors in spinal motoneurons is unwarranted. PMID:25277743

  13. Particle Image Velocimetry Measurements in an Anatomically-Accurate Scaled Model of the Mammalian Nasal Cavity

    NASA Astrophysics Data System (ADS)

    Rumple, Christopher; Krane, Michael; Richter, Joseph; Craven, Brent

    2013-11-01

    The mammalian nose is a multi-purpose organ that houses a convoluted airway labyrinth responsible for respiratory air conditioning, filtering of environmental contaminants, and chemical sensing. Because of the complexity of the nasal cavity, the anatomy and function of these upper airways remain poorly understood in most mammals. However, recent advances in high-resolution medical imaging, computational modeling, and experimental flow measurement techniques are now permitting the study of respiratory airflow and olfactory transport phenomena in anatomically-accurate reconstructions of the nasal cavity. Here, we focus on efforts to manufacture an anatomically-accurate transparent model for stereoscopic particle image velocimetry (SPIV) measurements. Challenges in the design and manufacture of an index-matched anatomical model are addressed. PIV measurements are presented, which are used to validate concurrent computational fluid dynamics (CFD) simulations of mammalian nasal airflow. Supported by the National Science Foundation.

  14. Software Simplifies the Sharing of Numerical Models

    NASA Technical Reports Server (NTRS)

    2014-01-01

    To ease the sharing of climate models with university students, Goddard Space Flight Center awarded SBIR funding to Reston, Virginia-based Parabon Computation Inc., a company that specializes in cloud computing. The firm developed a software program capable of running climate models over the Internet, and also created an online environment for people to collaborate on developing such models.

  15. Material model library for explicit numerical codes

    SciTech Connect

    Hofmann, R.; Dial, B.W.

    1982-08-01

    A material model logic structure has been developed which is useful for most explicit finite-difference and explicit finite-element Lagrange computer codes. This structure has been implemented and tested in the STEALTH codes to provide an example for researchers who wish to implement it in generically similar codes. In parallel with these models, material parameter libraries have been created for the implemented models for materials which are often needed in DoD applications.

  16. Numerical MHD codes for modeling astrophysical flows

    NASA Astrophysics Data System (ADS)

    Koldoba, A. V.; Ustyugova, G. V.; Lii, P. S.; Comins, M. L.; Dyda, S.; Romanova, M. M.; Lovelace, R. V. E.

    2016-05-01

    We describe a Godunov-type magnetohydrodynamic (MHD) code based on the Miyoshi and Kusano (2005) solver which can be used to solve various astrophysical hydrodynamic and MHD problems. The energy equation is in the form of entropy conservation. The code has been implemented on several different coordinate systems: 2.5D axisymmetric cylindrical coordinates, 2D Cartesian coordinates, 2D plane polar coordinates, and fully 3D cylindrical coordinates. Viscosity and diffusivity are implemented in the code to control the accretion rate in the disk and the rate of penetration of the disk matter through the magnetic field lines. The code has been utilized for the numerical investigations of a number of different astrophysical problems, several examples of which are shown.

  17. Methodology to set up accurate OPC model using optical CD metrology and atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Shim, Yeon-Ah; Kang, Jaehyun; Lee, Sang-Uk; Kim, Jeahee; Kim, Keeho

    2007-03-01

    For the 90nm node and beyond, smaller Critical Dimension(CD) control budget is required and the ways to control good CD uniformity are needed. Moreover Optical Proximity Correction(OPC) for the sub-90nm node demands more accurate wafer CD data in order to improve accuracy of OPC model. Scanning Electron Microscope (SEM) is the typical method for measuring CD until ArF process. However SEM can give serious attack such as shrinkage of Photo Resist(PR) by burning of weak chemical structure of ArF PR due to high energy electron beam. In fact about 5nm CD narrowing occur when we measure CD by using CD-SEM in ArF photo process. Optical CD Metrology(OCD) and Atomic Force Microscopy(AFM) has been considered to the method for measuring CD without attack of organic materials. Also the OCD and AFM measurement system have the merits of speed, easiness and accurate data. For model-based OPC, the model is generated using CD data of test patterns transferred onto the wafer. In this study we discuss to generate accurate OPC model using OCD and AFM measurement system.

  18. Can phenological models predict tree phenology accurately under climate change conditions?

    NASA Astrophysics Data System (ADS)

    Chuine, Isabelle; Bonhomme, Marc; Legave, Jean Michel; García de Cortázar-Atauri, Inaki; Charrier, Guillaume; Lacointe, André; Améglio, Thierry

    2014-05-01

    The onset of the growing season of trees has been globally earlier by 2.3 days/decade during the last 50 years because of global warming and this trend is predicted to continue according to climate forecast. The effect of temperature on plant phenology is however not linear because temperature has a dual effect on bud development. On one hand, low temperatures are necessary to break bud dormancy, and on the other hand higher temperatures are necessary to promote bud cells growth afterwards. Increasing phenological changes in temperate woody species have strong impacts on forest trees distribution and productivity, as well as crops cultivation areas. Accurate predictions of trees phenology are therefore a prerequisite to understand and foresee the impacts of climate change on forests and agrosystems. Different process-based models have been developed in the last two decades to predict the date of budburst or flowering of woody species. They are two main families: (1) one-phase models which consider only the ecodormancy phase and make the assumption that endodormancy is always broken before adequate climatic conditions for cell growth occur; and (2) two-phase models which consider both the endodormancy and ecodormancy phases and predict a date of dormancy break which varies from year to year. So far, one-phase models have been able to predict accurately tree bud break and flowering under historical climate. However, because they do not consider what happens prior to ecodormancy, and especially the possible negative effect of winter temperature warming on dormancy break, it seems unlikely that they can provide accurate predictions in future climate conditions. It is indeed well known that a lack of low temperature results in abnormal pattern of bud break and development in temperate fruit trees. An accurate modelling of the dormancy break date has thus become a major issue in phenology modelling. Two-phases phenological models predict that global warming should delay

  19. A robust and accurate approach to computing compressible multiphase flow: Stratified flow model and AUSM{sup +}-up scheme

    SciTech Connect

    Chang, Chih-Hao . E-mail: chchang@engineering.ucsb.edu; Liou, Meng-Sing . E-mail: meng-sing.liou@grc.nasa.gov

    2007-07-01

    In this paper, we propose a new approach to compute compressible multifluid equations. Firstly, a single-pressure compressible multifluid model based on the stratified flow model is proposed. The stratified flow model, which defines different fluids in separated regions, is shown to be amenable to the finite volume method. We can apply the conservation law to each subregion and obtain a set of balance equations. Secondly, the AUSM{sup +} scheme, which is originally designed for the compressible gas flow, is extended to solve compressible liquid flows. By introducing additional dissipation terms into the numerical flux, the new scheme, called AUSM{sup +}-up, can be applied to both liquid and gas flows. Thirdly, the contribution to the numerical flux due to interactions between different phases is taken into account and solved by the exact Riemann solver. We will show that the proposed approach yields an accurate and robust method for computing compressible multiphase flows involving discontinuities, such as shock waves and fluid interfaces. Several one-dimensional test problems are used to demonstrate the capability of our method, including the Ransom's water faucet problem and the air-water shock tube problem. Finally, several two dimensional problems will show the capability to capture enormous details and complicated wave patterns in flows having large disparities in the fluid density and velocities, such as interactions between water shock wave and air bubble, between air shock wave and water column(s), and underwater explosion.

  20. Cumulus clouds - Numerical models, observations and entrainment

    NASA Technical Reports Server (NTRS)

    Simpson, J.

    1983-01-01

    The first computer simulation of the organization phase of a buoyant atmospheric thermal is described. Although crude, it showed the spontaneous development of a rounded tight-gradient 'cap' and internal vortical circulation. The complexities involved in these 'field of motion' models in part motivated the development of entity models, based upon laboratory thermals. These one-dimensional models and their uses with observations are briefly described as well as their limitations. Finally, an application of Schlesinger's three-dimensional model to a GATE cumulus situation clarifies many apparently conflicting observations and postulates, thereby raising further challenging questions to be addressed jointly by the more sophisticated measuring and modeling tools available in the 1980's.

  1. Building an accurate 3D model of a circular feature for robot vision

    NASA Astrophysics Data System (ADS)

    Li, L.

    2012-06-01

    In this paper, an accurate 3D model analysis of a circular feature is built with error compensation for robot vision. We propose an efficient method of fitting ellipses to data points by minimizing the algebraic distance subject to the constraint that a conic should be an ellipse and solving the ellipse parameters through a direct ellipse fitting method by analysing the 3D geometrical representation in a perspective projection scheme, the 3D position of a circular feature with known radius can be obtained. A set of identical circles, machined on a calibration board whose centres were known, was calibrated with a camera and did the model analysis that our method developed. Experimental results show that our method is more accurate than other methods.

  2. Numerical modelling of granular flows: a reality check

    NASA Astrophysics Data System (ADS)

    Windows-Yule, C. R. K.; Tunuguntla, D. R.; Parker, D. J.

    2015-12-01

    Discrete particle simulations provide a powerful tool for the advancement of our understanding of granular media, and the development and refinement of the multitudinous techniques used to handle and process these ubiquitous materials. However, in order to ensure that this tool can be successfully utilised in a meaningful and reliable manner, it is of paramount importance that we fully understand the degree to which numerical models can be trusted to accurately and quantitatively recreate and predict the behaviours of the real-world systems they are designed to emulate. Due to the complexity and diverse variety of physical states and dynamical behaviours exhibited by granular media, a simulation algorithm capable of closely reproducing the behaviours of a given system may be entirely unsuitable for other systems with different physical properties, or even similar systems exposed to differing control parameters. In this paper, we focus on two widely used forms of granular flow, for which discrete particle simulations are shown to provide a full, quantitative replication of the behaviours of real industrial and experimental systems. We identify also situations for which quantitative agreement may fail are identified, but important general, qualitative trends are still recreated, as well as cases for which computational models are entirely unsuitable. By assembling this information into a single document, we hope not only to provide researchers with a useful point of reference when designing and executing future studies, but also to equip those involved in the design of simulation algorithms with a clear picture of the current strengths and shortcomings of contemporary models, and hence an improved knowledge of the most valuable areas on which to focus their work.

  3. Faceted spurs at normal fault scarps: Insights from numerical modeling

    NASA Astrophysics Data System (ADS)

    Petit, C.; Gunnell, Y.; Gonga-Saholiariliva, N.; Meyer, B.; SéGuinot, J.

    2009-05-01

    We present a combined surface processes and tectonic model which allows us to determine the climatic and tectonic parameters that control the development of faceted spurs at normal fault scarps. Sensitivity tests to climatic parameter values are performed. For a given precipitation rate, when hillslope diffusion is high and channel bedrock is highly resistant to erosion, the scarp is smooth and undissected. When, instead, the bedrock is easily eroded and diffusion is limited, numerous channels develop and the scarp becomes deeply incised. Between these two end-member states, diffusion and incision compete to produce a range of scarp morphologies, including faceted spurs. The sensitivity tests allow us to determine a dimensionless ratio of erosion, f, for which faceted spurs can develop. This study evidences a strong dependence of facet slope angle on throw rate for throw rates between 0.4 and 0.7 mm/a. Facet height is also shown to be a linear function of fault throw rate. Model performance is tested on the Wasatch Fault, Utah, using topographic, geologic, and seismologic data. A Monte Carlo inversion on the topography of a portion of the Weber segment shows that the 5 Ma long development of this scarp has been dominated by a low effective precipitation rate (˜1.1 m/a) and a moderate diffusion coefficient (0.13 m2/a). Results demonstrate the ability of our model to estimate normal fault throw rates from the height of triangular facets and to retrieve the average long-term diffusion and incision parameters that prevailed during scarp evolution using an accurate 2-D misfit criterion.

  4. Numerical modelling of granular flows: a reality check

    NASA Astrophysics Data System (ADS)

    Windows-Yule, C. R. K.; Tunuguntla, D. R.; Parker, D. J.

    2016-07-01

    Discrete particle simulations provide a powerful tool for the advancement of our understanding of granular media, and the development and refinement of the multitudinous techniques used to handle and process these ubiquitous materials. However, in order to ensure that this tool can be successfully utilised in a meaningful and reliable manner, it is of paramount importance that we fully understand the degree to which numerical models can be trusted to accurately and quantitatively recreate and predict the behaviours of the real-world systems they are designed to emulate. Due to the complexity and diverse variety of physical states and dynamical behaviours exhibited by granular media, a simulation algorithm capable of closely reproducing the behaviours of a given system may be entirely unsuitable for other systems with different physical properties, or even similar systems exposed to differing control parameters. In this paper, we focus on two widely used forms of granular flow, for which discrete particle simulations are shown to provide a full, quantitative replication of the behaviours of real industrial and experimental systems. We identify also situations for which quantitative agreement may fail are identified, but important general, qualitative trends are still recreated, as well as cases for which computational models are entirely unsuitable. By assembling this information into a single document, we hope not only to provide researchers with a useful point of reference when designing and executing future studies, but also to equip those involved in the design of simulation algorithms with a clear picture of the current strengths and shortcomings of contemporary models, and hence an improved knowledge of the most valuable areas on which to focus their work.

  5. Numerical modeling of laser thermal propulsion flows

    NASA Technical Reports Server (NTRS)

    Mccay, T. D.; Thoenes, J.

    1984-01-01

    An review of the problems associated with modeling laser thermal propulsion flows, a synopsis of the status of such models, and the attributes of a successful model are presented. The continuous gaseous hydrogen laser-supported combustion wave (LSCW) thruster, for which a high-energy laser system (preferably space-based) should exist by the time the propulsion technology is developed, is considered in particular. The model proposed by Raizer (1970) is based on the assumptions of one-dimensional flow at constant pressure with heat conduction as the principal heat transfer mechanism. Consideration is given to subsequent models which account for radiative transfer into the ambient gas; provide a two-dimensional generalization of Raizer's analysis for the subsonic propagation of laser sparks in air; include the effect of forward plasma radiation in a one-dimensional model; and attempt a time-dependent (elliptic) solution of the full Navier-Stokes equations for the flow in a simple axisymmetric thruster. Attention is also given to thruster and nozzle flow models and thermodynamic and transport properties.

  6. Validation of a fluid-structure interaction numerical model for predicting flow transients in arteries.

    PubMed

    Kanyanta, V; Ivankovic, A; Karac, A

    2009-08-01

    Fluid-structure interaction (FSI) numerical models are now widely used in predicting blood flow transients. This is because of the importance of the interaction between the flowing blood and the deforming arterial wall to blood flow behaviour. Unfortunately, most of these FSI models lack rigorous validation and, thus, cannot guarantee the accuracy of their predictions. This paper presents the comprehensive validation of a two-way coupled FSI numerical model, developed to predict flow transients in compliant conduits such as arteries. The model is validated using analytical solutions and experiments conducted on polyurethane mock artery. Flow parameters such as pressure and axial stress (and precursor) wave speeds, wall deformations and oscillating frequency, fluid velocity and Poisson coupling effects, were used as the basis of this validation. Results show very good comparison between numerical predictions, analytical solutions and experimental data. The agreement between the three approaches is generally over 95%. The model also shows accurate prediction of Poisson coupling effects in unsteady flows through flexible pipes, which up to this stage have only being predicted analytically. Therefore, this numerical model can accurately predict flow transients in compliant vessels such as arteries. PMID:19482285

  7. Paleoclimate validation of a numerical climate model

    SciTech Connect

    Schelling, F.J.; Church, H.W.; Zak, B.D.; Thompson, S.L.

    1994-04-01

    An analysis planned to validate regional climate model results for a past climate state at Yucca Mountain, Nevada, against paleoclimate evidence for the period is described. This analysis, which will use the GENESIS model of global climate nested with the RegCM2 regional climate model, is part of a larger study for DOE`s Yucca Mountain Site Characterization Project that is evaluating the impacts of long term future climate change on performance of the potential high level nuclear waste repository at Yucca Mountain. The planned analysis and anticipated results are presented.

  8. Numerical modeling of fresh concrete flow through porous medium

    NASA Astrophysics Data System (ADS)

    Kolařík, F.; Patzák, B.; Zeman, J.

    2016-06-01

    The paper focuses on a numerical modeling of a non-Newtonian fluid flow in a porous domain. It presents combination of a homogenization approach to obtain permeability from the underlying micro-structure with coupling of a Stokes and Darcy flow through the interface on the macro level. As a numerical method we employed the Finite Element method. The results obtained from the homogenization approach are validated against fully resolved solution computed by direct numerical simulation.

  9. Making it Easy to Construct Accurate Hydrological Models that Exploit High Performance Computers (Invited)

    NASA Astrophysics Data System (ADS)

    Kees, C. E.; Farthing, M. W.; Terrel, A.; Certik, O.; Seljebotn, D.

    2013-12-01

    This presentation will focus on two barriers to progress in the hydrological modeling community, and research and development conducted to lessen or eliminate them. The first is a barrier to sharing hydrological models among specialized scientists that is caused by intertwining the implementation of numerical methods with the implementation of abstract numerical modeling information. In the Proteus toolkit for computational methods and simulation, we have decoupled these two important parts of computational model through separate "physics" and "numerics" interfaces. More recently we have begun developing the Strong Form Language for easy and direct representation of the mathematical model formulation in a domain specific language embedded in Python. The second major barrier is sharing ANY scientific software tools that have complex library or module dependencies, as most parallel, multi-physics hydrological models must have. In this setting, users and developer are dependent on an entire distribution, possibly depending on multiple compilers and special instructions depending on the environment of the target machine. To solve these problem we have developed, hashdist, a stateless package management tool and a resulting portable, open source scientific software distribution.

  10. Toward an Accurate Modeling of Hydrodynamic Effects on the Translational and Rotational Dynamics of Biomolecules in Many-Body Systems.

    PubMed

    Długosz, Maciej; Antosiewicz, Jan M

    2015-07-01

    Proper treatment of hydrodynamic interactions is of importance in evaluation of rigid-body mobility tensors of biomolecules in Stokes flow and in simulations of their folding and solution conformation, as well as in simulations of the translational and rotational dynamics of either flexible or rigid molecules in biological systems at low Reynolds numbers. With macromolecules conveniently modeled in calculations or in dynamic simulations as ensembles of spherical frictional elements, various approximations to hydrodynamic interactions, such as the two-body, far-field Rotne-Prager approach, are commonly used, either without concern or as a compromise between the accuracy and the numerical complexity. Strikingly, even though the analytical Rotne-Prager approach fails to describe (both in the qualitative and quantitative sense) mobilities in the simplest system consisting of two spheres, when the distance between their surfaces is of the order of their size, it is commonly applied to model hydrodynamic effects in macromolecular systems. Here, we closely investigate hydrodynamic effects in two and three-body systems, consisting of bead-shell molecular models, using either the analytical Rotne-Prager approach, or an accurate numerical scheme that correctly accounts for the many-body character of hydrodynamic interactions and their short-range behavior. We analyze mobilities, and translational and rotational velocities of bodies resulting from direct forces acting on them. We show, that with the sufficient number of frictional elements in hydrodynamic models of interacting bodies, the far-field approximation is able to provide a description of hydrodynamic effects that is in a reasonable qualitative as well as quantitative agreement with the description resulting from the application of the virtually exact numerical scheme, even for small separations between bodies. PMID:26068580

  11. Accurate and interpretable nanoSAR models from genetic programming-based decision tree construction approaches.

    PubMed

    Oksel, Ceyda; Winkler, David A; Ma, Cai Y; Wilkins, Terry; Wang, Xue Z

    2016-09-01

    The number of engineered nanomaterials (ENMs) being exploited commercially is growing rapidly, due to the novel properties they exhibit. Clearly, it is important to understand and minimize any risks to health or the environment posed by the presence of ENMs. Data-driven models that decode the relationships between the biological activities of ENMs and their physicochemical characteristics provide an attractive means of maximizing the value of scarce and expensive experimental data. Although such structure-activity relationship (SAR) methods have become very useful tools for modelling nanotoxicity endpoints (nanoSAR), they have limited robustness and predictivity and, most importantly, interpretation of the models they generate is often very difficult. New computational modelling tools or new ways of using existing tools are required to model the relatively sparse and sometimes lower quality data on the biological effects of ENMs. The most commonly used SAR modelling methods work best with large datasets, are not particularly good at feature selection, can be relatively opaque to interpretation, and may not account for nonlinearity in the structure-property relationships. To overcome these limitations, we describe the application of a novel algorithm, a genetic programming-based decision tree construction tool (GPTree) to nanoSAR modelling. We demonstrate the use of GPTree in the construction of accurate and interpretable nanoSAR models by applying it to four diverse literature datasets. We describe the algorithm and compare model results across the four studies. We show that GPTree generates models with accuracies equivalent to or superior to those of prior modelling studies on the same datasets. GPTree is a robust, automatic method for generation of accurate nanoSAR models with important advantages that it works with small datasets, automatically selects descriptors, and provides significantly improved interpretability of models. PMID:26956430

  12. Numerical modelling of fracture in human arteries.

    PubMed

    Ferrara, A; Pandolfi, A

    2008-10-01

    We present 3D finite element models of atherosclerotic arteries, used to investigate the influence of the geometry and tissue properties on the plaque rupture caused by overexpansion. We adopted a geometry reconstructed from a contiguous set of in vitro magnetic resonance images of a damaged artery. The artery wall is divided in three layers (adventitia, media and intima) and is discretized into tetrahedral finite elements. The artery material is described with a hyperelastic two-fiber anisotropic model proposed by Holzapfel et al. 2000. A new constitutive framework for arterial wall mechanics and a comparative study of material models. J Elasticity 61(1):1-48, while the plaque is assumed to be transversely isotropic. Cracks induced by mechanical actions are represented through cohesive surfaces, and are allowed to develop along solid elements boundaries only. Fractures are explicitly introduced in the discretized model at the locations where the tensile strength of the material is reached. PMID:19230149

  13. Numerical Calculation of Model Rocket Trajectories.

    ERIC Educational Resources Information Center

    Keeports, David

    1990-01-01

    Discussed is the use of model rocketry to teach the principles of Newtonian mechanics. Included are forces involved; calculations for vertical launches; two-dimensional trajectories; and variations in mass, drag, and launch angle. (CW)

  14. On numerical modeling of one-dimensional geothermal histories

    USGS Publications Warehouse

    Haugerud, R.A.

    1989-01-01

    Numerical models of one-dimensional geothermal histories are one way of understanding the relations between tectonics and transient thermal structure in the crust. Such models can be powerful tools for interpreting geochronologic and thermobarometric data. A flexible program to calculate these models on a microcomputer is available and examples of its use are presented. Potential problems with this approach include the simplifying assumptions that are made, limitations of the numerical techniques, and the neglect of convective heat transfer. ?? 1989.

  15. Modelling asteroid brightness variations. I - Numerical methods

    NASA Technical Reports Server (NTRS)

    Karttunen, H.

    1989-01-01

    A method for generating lightcurves of asteroid models is presented. The effects of the shape of the asteroid and the scattering law of a surface element are distinctly separable, being described by chosen functions that can easily be changed. The shape is specified by means of two functions that yield the length of the radius vector and the normal vector of the surface at a given point. The general shape must be convex, but spherical concavities producing macroscopic shadowing can also be modeled.

  16. An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers

    PubMed Central

    Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

    2015-01-01

    Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson’s ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers. PMID:26510769

  17. An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers.

    PubMed

    Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

    2015-01-01

    Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson's ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers. PMID:26510769

  18. An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers

    NASA Astrophysics Data System (ADS)

    Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

    2015-10-01

    Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson’s ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers.

  19. Accurate and efficient halo-based galaxy clustering modelling with simulations

    NASA Astrophysics Data System (ADS)

    Zheng, Zheng; Guo, Hong

    2016-06-01

    Small- and intermediate-scale galaxy clustering can be used to establish the galaxy-halo connection to study galaxy formation and evolution and to tighten constraints on cosmological parameters. With the increasing precision of galaxy clustering measurements from ongoing and forthcoming large galaxy surveys, accurate models are required to interpret the data and extract relevant information. We introduce a method based on high-resolution N-body simulations to accurately and efficiently model the galaxy two-point correlation functions (2PCFs) in projected and redshift spaces. The basic idea is to tabulate all information of haloes in the simulations necessary for computing the galaxy 2PCFs within the framework of halo occupation distribution or conditional luminosity function. It is equivalent to populating galaxies to dark matter haloes and using the mock 2PCF measurements as the model predictions. Besides the accurate 2PCF calculations, the method is also fast and therefore enables an efficient exploration of the parameter space. As an example of the method, we decompose the redshift-space galaxy 2PCF into different components based on the type of galaxy pairs and show the redshift-space distortion effect in each component. The generalizations and limitations of the method are discussed.

  20. Can phenological models predict tree phenology accurately in the future? The unrevealed hurdle of endodormancy break.

    PubMed

    Chuine, Isabelle; Bonhomme, Marc; Legave, Jean-Michel; García de Cortázar-Atauri, Iñaki; Charrier, Guillaume; Lacointe, André; Améglio, Thierry

    2016-10-01

    The onset of the growing season of trees has been earlier by 2.3 days per decade during the last 40 years in temperate Europe because of global warming. The effect of temperature on plant phenology is, however, not linear because temperature has a dual effect on bud development. On one hand, low temperatures are necessary to break bud endodormancy, and, on the other hand, higher temperatures are necessary to promote bud cell growth afterward. Different process-based models have been developed in the last decades to predict the date of budbreak of woody species. They predict that global warming should delay or compromise endodormancy break at the species equatorward range limits leading to a delay or even impossibility to flower or set new leaves. These models are classically parameterized with flowering or budbreak dates only, with no information on the endodormancy break date because this information is very scarce. Here, we evaluated the efficiency of a set of phenological models to accurately predict the endodormancy break dates of three fruit trees. Our results show that models calibrated solely with budbreak dates usually do not accurately predict the endodormancy break date. Providing endodormancy break date for the model parameterization results in much more accurate prediction of this latter, with, however, a higher error than that on budbreak dates. Most importantly, we show that models not calibrated with endodormancy break dates can generate large discrepancies in forecasted budbreak dates when using climate scenarios as compared to models calibrated with endodormancy break dates. This discrepancy increases with mean annual temperature and is therefore the strongest after 2050 in the southernmost regions. Our results claim for the urgent need of massive measurements of endodormancy break dates in forest and fruit trees to yield more robust projections of phenological changes in a near future. PMID:27272707

  1. Accurate protein structure modeling using sparse NMR data and homologous structure information

    PubMed Central

    Thompson, James M.; Sgourakis, Nikolaos G.; Liu, Gaohua; Rossi, Paolo; Tang, Yuefeng; Mills, Jeffrey L.; Szyperski, Thomas; Montelione, Gaetano T.; Baker, David

    2012-01-01

    While information from homologous structures plays a central role in X-ray structure determination by molecular replacement, such information is rarely used in NMR structure determination because it can be incorrect, both locally and globally, when evolutionary relationships are inferred incorrectly or there has been considerable evolutionary structural divergence. Here we describe a method that allows robust modeling of protein structures of up to 225 residues by combining , 13C, and 15N backbone and 13Cβ chemical shift data, distance restraints derived from homologous structures, and a physically realistic all-atom energy function. Accurate models are distinguished from inaccurate models generated using incorrect sequence alignments by requiring that (i) the all-atom energies of models generated using the restraints are lower than models generated in unrestrained calculations and (ii) the low-energy structures converge to within 2.0 Å backbone rmsd over 75% of the protein. Benchmark calculations on known structures and blind targets show that the method can accurately model protein structures, even with very remote homology information, to a backbone rmsd of 1.2–1.9 Å relative to the conventional determined NMR ensembles and of 0.9–1.6 Å relative to X-ray structures for well-defined regions of the protein structures. This approach facilitates the accurate modeling of protein structures using backbone chemical shift data without need for side-chain resonance assignments and extensive analysis of NOESY cross-peak assignments. PMID:22665781

  2. Monte Carlo modeling provides accurate calibration factors for radionuclide activity meters.

    PubMed

    Zagni, F; Cicoria, G; Lucconi, G; Infantino, A; Lodi, F; Marengo, M

    2014-12-01

    Accurate determination of calibration factors for radionuclide activity meters is crucial for quantitative studies and in the optimization step of radiation protection, as these detectors are widespread in radiopharmacy and nuclear medicine facilities. In this work we developed the Monte Carlo model of a widely used activity meter, using the Geant4 simulation toolkit. More precisely the "PENELOPE" EM physics models were employed. The model was validated by means of several certified sources, traceable to primary activity standards, and other sources locally standardized with spectrometry measurements, plus other experimental tests. Great care was taken in order to accurately reproduce the geometrical details of the gas chamber and the activity sources, each of which is different in shape and enclosed in a unique container. Both relative calibration factors and ionization current obtained with simulations were compared against experimental measurements; further tests were carried out, such as the comparison of the relative response of the chamber for a source placed at different positions. The results showed a satisfactory level of accuracy in the energy range of interest, with the discrepancies lower than 4% for all the tested parameters. This shows that an accurate Monte Carlo modeling of this type of detector is feasible using the low-energy physics models embedded in Geant4. The obtained Monte Carlo model establishes a powerful tool for first instance determination of new calibration factors for non-standard radionuclides, for custom containers, when a reference source is not available. Moreover, the model provides an experimental setup for further research and optimization with regards to materials and geometrical details of the measuring setup, such as the ionization chamber itself or the containers configuration. PMID:25195174

  3. Mathematical and Numerical Modeling of Turbulent Flows.

    PubMed

    Vedovoto, João M; Serfaty, Ricardo; Da Silveira Neto, Aristeu

    2015-01-01

    The present work is devoted to the development and implementation of a computational framework to perform numerical simulations of low Mach number turbulent flows over complex geometries. The algorithm under consideration is based on a classical predictor-corrector time integration scheme that employs a projection method for the momentum equations. The domain decomposition strategy is adopted for distributed computing, displaying very satisfactory levels of speed-up and efficiency. The Immersed Boundary Methodology is used to characterize the presence of a complex geometry. Such method demands two separate grids: An Eulerian, where the transport equations are solved with a Finite Volume, second order discretization and a Lagrangian domain, represented by a non-structured shell grid representing the immersed geometry. The in-house code developed was fully verified by the Method of Manufactured Solutions, in both Eulerian and Lagrangian domains. The capabilities of the resulting computational framework are illustrated on four distinct cases: a turbulent jet, the Poiseuille flow, as a matter of validation of the implemented Immersed Boundary methodology, the flow over a sphere covering a wide range of Reynolds numbers, and finally, with the intention of demonstrating the applicability of Large Eddy Simulations - LES - in an industrial problem, the turbulent flow inside an industrial fan. PMID:26131642

  4. Saturn's North Polar Hexagon Numerical Modeling Results

    NASA Astrophysics Data System (ADS)

    Morales-Juberias, R.; Sayanagi, K. M.; Dowling, T. E.

    2008-12-01

    In 1980, Voyager images revealed the presence of a circumpolar wave at 78 degrees planetographic latitude in the northern hemisphere of Saturn. It was notable for having a dominant planetary wavenumber-six zonal mode, and for being stationary with respect to Saturn's Kilometric Radiation rotation rate measured by Voyager. The center of this hexagonal feature was coincident with the center of a sharp eastward jet with a peak speed of 100 ms-1 and it had a meridional width of about 4 degrees. This hexagonal feature was confirmed in 1991 through ground-based observations, and it was observed again in 2006 with the Cassini VIMS instrument. The latest observations highlight the longevity of the hexagon and suggest that it extends at least several bars deep into the atmosphere. We use the Explicit Planetary Isentropic Code (EPIC) to perform high-resolution numerical simulations of this unique feature. We show that a wavenumber six instability mode arises naturally from initially barotropic jets when seeded with weak random turbulence. We also discuss the properties of the wave activity on the background vertical stability, zonal wind, planetary rotation rate and adjacent vortices. Computational resources were provided by the New Mexico Computing Applications Center and New Mexico Institute of Mining and Technology and the Comparative Planetology Laboratory at the University of Louisville.

  5. Numerical model of crater lake eruptions

    NASA Astrophysics Data System (ADS)

    Morrissey, M.; Gisler, G.; Weaver, R.; Gittings, M.

    2010-12-01

    We present results from a numerical investigation of subaqueous eruptions involving superheated steam released through a lake mimicking the volcanic setting at Mt. Ruapehu. The simulations were conducted using an adaptive mesh, multi-material, hydrodynamics code with thermal conduction SAGE, (Simple Adaptive Grid Eulerian). Parameters investigated include eruption pressure, lake level and mass of superheated vapor. The simulations produced a spectrum of eruption styles from vapor cavities to radial jets that resulted in hazards that ranged from small-scale waves to high amplitude surges that reached and cascaded over the edge of the crater rim. There was an overall tendency for lake surface activity to increase (including wave amplitude) with increasing mass of superheated vapor and eruption pressure. Surface waves were induced by the formation and collapse of a gas cavity. The collapse of the cavity is considered to play a major role in the characteristic features observed during a subaqueous eruption. The additional mass of superheated vapor produced a larger cavity that displaced a larger area of the lake surface resulting in fast moving surges upon the collapse of the cavity. High lake levels (>90 m) appear to suppress the development of explosive jetting activity when eruption pressures are <10 MPa. At very large eruption pressures (>10 MPa), vertical jets and radial ejections of steam and water can occur in water depths >90 m. Less explosive eruption styles can produce hazardous events such as lahars by the outward movement of surface waves over the crater rim.

  6. Numerical model for the Programmable Multirole Furnace (PMZF)

    NASA Technical Reports Server (NTRS)

    Kassemi, M.; Panzarella, C. H.; Destro-Sidik, K. E.; Krolikowski, C. R.; Licht, B. W.

    1993-01-01

    The present account of the Programmable Multizone Furnace numerical model uses various examples to illustrate the ways in which the model serves as an optimization, test, prediction, and visualization tool; a numerical PID-control algorithm obtains the desired sample temperature distributions and allows the model to solve an inverse heat transfer problem where the desired sample temperature profile is the input and the required heater power distribution is the output of numerical simulations. Parametric studies show how the total power consumption of the furnace is affected by such design variables as the conductivity.

  7. Numerical Modeling of Ophthalmic Response to Space

    NASA Technical Reports Server (NTRS)

    Nelson, E. S.; Myers, J. G.; Mulugeta, L.; Vera, J.; Raykin, J.; Feola, A.; Gleason, R.; Samuels, B.; Ethier, C. R.

    2015-01-01

    To investigate ophthalmic changes in spaceflight, we would like to predict the impact of blood dysregulation and elevated intracranial pressure (ICP) on Intraocular Pressure (IOP). Unlike other physiological systems, there are very few lumped parameter models of the eye. The eye model described here is novel in its inclusion of the human choroid and retrobulbar subarachnoid space (rSAS), which are key elements in investigating the impact of increased ICP and ocular blood volume. Some ingenuity was required in modeling the blood and rSAS compartments due to the lack of quantitative data on essential hydrodynamic quantities, such as net choroidal volume and blood flowrate, inlet and exit pressures, and material properties, such as compliances between compartments.

  8. Mathematical and Numerical Analyses of Peridynamics for Multiscale Materials Modeling

    SciTech Connect

    Gunzburger, Max

    2015-02-17

    We have treated the modeling, analysis, numerical analysis, and algorithmic development for nonlocal models of diffusion and mechanics. Variational formulations were developed and finite element methods were developed based on those formulations for both steady state and time dependent problems. Obstacle problems and optimization problems for the nonlocal models were also treated and connections made with fractional derivative models.

  9. Numerical Considerations for Lagrangian Stochastic Dispersion Models: Eliminating Rogue Trajectories, and the Importance of Numerical Accuracy

    NASA Astrophysics Data System (ADS)

    Bailey, Brian N.

    2016-07-01

    When Lagrangian stochastic models for turbulent dispersion are applied to complex atmospheric flows, some type of ad hoc intervention is almost always necessary to eliminate unphysical behaviour in the numerical solution. Here we discuss numerical strategies for solving the non-linear Langevin-based particle velocity evolution equation that eliminate such unphysical behaviour in both Reynolds-averaged and large-eddy simulation applications. Extremely large or `rogue' particle velocities are caused when the numerical integration scheme becomes unstable. Such instabilities can be eliminated by using a sufficiently small integration timestep, or in cases where the required timestep is unrealistically small, an unconditionally stable implicit integration scheme can be used. When the generalized anisotropic turbulence model is used, it is critical that the input velocity covariance tensor be realizable, otherwise unphysical behaviour can become problematic regardless of the integration scheme or size of the timestep. A method is presented to ensure realizability, and thus eliminate such behaviour. It was also found that the numerical accuracy of the integration scheme determined the degree to which the second law of thermodynamics or `well-mixed condition' was satisfied. Perhaps more importantly, it also determined the degree to which modelled Eulerian particle velocity statistics matched the specified Eulerian distributions (which is the ultimate goal of the numerical solution). It is recommended that future models be verified by not only checking the well-mixed condition, but perhaps more importantly by checking that computed Eulerian statistics match the Eulerian statistics specified as inputs.

  10. Numerical Modeling of Left-Handed Metamaterials

    SciTech Connect

    Burke, G J; Champagne, N J; Sharpe, R M

    2001-11-06

    The EIGER method of moments program with periodic Green's function was used to model a periodic array of strips and split-ring resonators. Left-handed propagation due to negative index of refraction is demonstrated in a frequency band. The effective material parameters versus frequency are extracted from the EIGER solution.

  11. Representing Cloud Processing of Aerosol in Numerical Models

    SciTech Connect

    Mechem, D.B.; Kogan, Y.L.

    2005-03-18

    The satellite imagery in Figure 1 provides dramatic examples of how aerosol influences the cloud field. Aerosol from ship exhaust can serve as nucleation centers in otherwise cloud-free regions, forming ship tracks (top image), or can enhance the reflectance/albedo in already cloudy regions. This image is a demonstration of the first indirect effect, in which changes in aerosol modulate cloud droplet radius and concentration, which influences albedo. It is thought that, through the effects it has on precipitation (drizzle), aerosol can also affect the structure and persistence of planetary boundary layer (PBL) clouds. Regions of cellular convection, or open pockets of cloudiness (bottom image) are thought to be remnants of strongly drizzling PBL clouds. Pockets of Open Cloudiness (POCs) (Stevens et al. 2005) or Albrecht's ''rifts'' are low cloud fraction regions characterized by anomalously low aerosol concentrations, implying they result from precipitation. These features may in fact be a demonstration of the second indirect effect. To accurately represent these clouds in numerical models, we have to treat the coupled cloud-aerosol system. We present the following series of mesoscale and large eddy simulation (LES) experiments to evaluate the important aspects of treating the coupled cloud-aerosol problem. 1. Drizzling and nondrizzling simulations demonstrate the effect of drizzle on a mesoscale forecast off the California coast. 2. LES experiments with explicit (bin) microphysics gauge the relative importance of the shape of the aerosol spectrum on the 3D dynamics and cloud structure. 3. Idealized mesoscale model simulations evaluate the relative roles of various processes, sources, and sinks.

  12. Numerical modelling of instantaneous plate tectonics

    NASA Technical Reports Server (NTRS)

    Minster, J. B.; Haines, E.; Jordan, T. H.; Molnar, P.

    1974-01-01

    Assuming lithospheric plates to be rigid, 68 spreading rates, 62 fracture zones trends, and 106 earthquake slip vectors are systematically inverted to obtain a self-consistent model of instantaneous relative motions for eleven major plates. The inverse problem is linearized and solved iteratively by a maximum-likelihood procedure. Because the uncertainties in the data are small, Gaussian statistics are shown to be adequate. The use of a linear theory permits (1) the calculation of the uncertainties in the various angular velocity vectors caused by uncertainties in the data, and (2) quantitative examination of the distribution of information within the data set. The existence of a self-consistent model satisfying all the data is strong justification of the rigid plate assumption. Slow movement between North and South America is shown to be resolvable.

  13. Analytical and numerical modeling for flexible pipes

    NASA Astrophysics Data System (ADS)

    Wang, Wei; Chen, Geng

    2011-12-01

    The unbonded flexible pipe of eight layers, in which all the layers except the carcass layer are assumed to have isotropic properties, has been analyzed. Specifically, the carcass layer shows the orthotropic characteristics. The effective elastic moduli of the carcass layer have been developed in terms of the influence of deformation to stiffness. With consideration of the effective elastic moduli, the structure can be properly analyzed. Also the relative movements of tendons and relative displacements of wires in helical armour layer have been investigated. A three-dimensional nonlinear finite element model has been presented to predict the response of flexible pipes under axial force and torque. Further, the friction and contact of interlayer have been considered. Comparison between the finite element model and experimental results obtained in literature has been given and discussed, which might provide practical and technical support for the application of unbonded flexible pipes.

  14. Advanced Numerical Modeling of Turbulent Atmospheric Flows

    NASA Astrophysics Data System (ADS)

    Kühnlein, Christian; Dörnbrack, Andreas; Gerz, Thomas

    The present chapter introduces the method of computational simulation to predict and study turbulent atmospheric flows. This includes a description of the fundamental approach to computational simulation and the practical implementation using the technique of large-eddy simulation. In addition, selected contributions from IPA scientists to computational model development and various examples for applications are given. These examples include homogeneous turbulence, convective boundary layers, heated forest canopy, buoyant thermals, and large-scale flows with baroclinic wave instability.

  15. Numerical Models for Sound Propagation in Long Spaces

    NASA Astrophysics Data System (ADS)

    Lai, Chenly Yuen Cheung

    Both reverberation time and steady-state sound field are the key elements for assessing the acoustic condition in an enclosed space. They affect the noise propagation, speech intelligibility, clarity index, and definition. Since the sound field in a long space is non diffuse, classical room acoustics theory does not apply in this situation. The ray tracing technique and the image source methods are two common models to fathom both reverberation time and steady-state sound field in long enclosures nowadays. Although both models can give an accurate estimate of reverberation times and steady-state sound field directly or indirectly, they often involve time-consuming calculations. In order to simplify the acoustic consideration, a theoretical formulation has been developed for predicting both steady-state sound fields and reverberation times in street canyons. The prediction model is further developed to predict the steady-state sound field in a long enclosure. Apart from the straight long enclosure, there are other variations such as a cross junction, a long enclosure with a T-intersection, an U-turn long enclosure. In the present study, an theoretical and experimental investigations were conducted to develop formulae for predicting reverberation times and steady-state sound fields in a junction of a street canyon and in a long enclosure with T-intersection. The theoretical models are validated by comparing the numerical predictions with published experimental results. The theoretical results are also compared with precise indoor measurements and large-scale outdoor experimental results. In all of previous acoustical studies related to long enclosure, most of the studies are focused on the monopole sound source. Besides non-directional noise source, many noise sources in long enclosure are dipole like, such as train noise and fan noise. In order to study the characteristics of directional noise sources, a review of available dipole source was conducted. A dipole was

  16. Numerical modelling of the 1979 Nice landslide-generated tsunami

    NASA Astrophysics Data System (ADS)

    Donnadieu, Claire; Hebert, Hélène; Silva Jacinto, Ricardo; Meyniel, Pauline

    2010-05-01

    On the 16th October 1979, a part of the building site of the Nice airport extension intended to become the new Nice harbour collapsed into the Mediterranean Sea during landfilling operations. This submarine slide of initial volume of 10 millions of m3, located near the seashore, generated a turbidity current that propagated along the Var canyon. A few minutes after the landslide, a small tsunami was observed by several witnesses 60 km along the coast, called "Baie des Anges". The most destructive effect occurred near the city of Antibes, 10 km away from the source, which was inundated and where one person died. In the framework of the RATCOM (Réseau d'Alertes aux Tsunamis et COtiers en Méditerranée) project, this event is numerically simulated with the goal of establishing the appropriate monitoring network which could have detected this event by means of gauges located offshore. Two additional scenarios of hypothetical sources recently identified by IFREMER in the same area are also computed : a small volume of 0.6 millions of m3, close to the 1979 breakdown area, and a larger one of 7 millions of m3, located easterly. A very accurate bathymetric map of the area provided by IFREMER and completed by SHOM data near the coast is used. The dynamics of the slide and the water waves generated are both computed in the shallow water approximation, considering the interaction between the mass of sediments constituting the slide and the water. The landslide is modelled as a Newtonian homogeneous viscous flow sliding under gravity along the bathymetry and the tsunami model is initialized by taking into account the bottom deformation induced by the slide. Incorporation of water in the mass of sediments at the interface between landslide and water can be considered. The equations are solved by a finite difference method based on shock capturing. Numerical results of tsunami waves amplitudes generated by the landslide during the propagation and along the coast are compared

  17. Springback Simulation: Impact of Some Advanced Constitutive Models and Numerical Parameters

    NASA Astrophysics Data System (ADS)

    Haddag, Badis; Balan, Tudor; Abed-Meraim, Farid

    2005-08-01

    The impact of material models on the numerical simulation of springback is investigated. The study is focused on the strain-path sensitivity of two hardening models. While both models predict the Bauschinger effect, their response in the transient zone after a strain-path change is fairly different. Their respective predictions are compared in terms of sequential test response and of strip-drawing springback. For this purpose, an accurate and general time integration algorithm has been developed and implemented in the Abaqus code. The impact of several numerical parameters is also studied in order to assess the overall accuracy of the finite element prediction. For some test geometries, both material and numerical parameters are shown to clearly influence the springback behavior at a large extent. Moreover, a general trend cannot always be extracted, thus justifying the need for the finite element simulation of the stamping process.

  18. Numerical Modelling of the Mining Induced Horizontal Displacement

    NASA Astrophysics Data System (ADS)

    Tajduś, Krzysztof

    2015-12-01

    The paper presents results of numerical calculations and modeling of mining-induced surface deformation based on Finite Element Method (FEM). Applying the numerical method discussed to calculations allows us to assume a larger number of factors, such as rock mass structure, fracture network, rock properties, etc., which essentially affect the results obtained. On the basis of an elastic transversely isotropic model, an analysis of horizontal displacement distribution and surface subsidence was carried out for two sample regions of mines. The results of numerical calculations were later compared with the measured values. Such an analysis proved that the applied numerical model properly described distribution and values of subsidence and slope of subsidence trough, though there were serious differences in the values of calculated horizontal displacement, especially in areas of far influence range. In order to improve the matching, the influence of boundary conditions of the model on the value of calculated horizontal displacement was analyzed. The results are presented in graphs.

  19. Numerical Modelling of Embankment on Soft Clay

    NASA Astrophysics Data System (ADS)

    Nujid, M. M.; Taha, M. R.

    2016-07-01

    This paper aims to predict deformation of embankment on soft clay of Muar. The prediction performance focusing on displacement at critical fill height of 5.5 m. The study was based on reported result in 1992. With the aid of computer intelligence, the advanced constitutive soil models could be adopted to analyze the soft clay behavior. The COMSOL Multiphysics (v4.4) has been used to simulate the problem with coupled physics available in the software. The vertical displacements are in good agreement close to published result.

  20. Numerical modelling of the TFTR ICRH antennas

    SciTech Connect

    Kress, M.; Ho, Y.L.; Grossmann, W.; Drobot, A. ); Batchelor, D.B.; Ryan, P.M.; Carter, M. )

    1991-01-01

    A general purpose 3D electromagnetic field solver code, ARGUS, is being used to analyze the TFTR Antennas. To date, the vacuum radiation patterns produced by the bay M and L antennas have been obtained and reported. Recent work has concentrated on antenna performance comparison and understanding the role of geometry on performance (e.g., the impact of end-effects on current 2D models). Additional diagnostics such as evaluation of phase velocity and strap inductance are being implemented to enhance our understanding and to better compare with measurements. 6 refs., 2 figs.

  1. Accurate halo-model matter power spectra with dark energy, massive neutrinos and modified gravitational forces

    NASA Astrophysics Data System (ADS)

    Mead, A. J.; Heymans, C.; Lombriser, L.; Peacock, J. A.; Steele, O. I.; Winther, H. A.

    2016-06-01

    We present an accurate non-linear matter power spectrum prediction scheme for a variety of extensions to the standard cosmological paradigm, which uses the tuned halo model previously developed in Mead et al. We consider dark energy models that are both minimally and non-minimally coupled, massive neutrinos and modified gravitational forces with chameleon and Vainshtein screening mechanisms. In all cases, we compare halo-model power spectra to measurements from high-resolution simulations. We show that the tuned halo-model method can predict the non-linear matter power spectrum measured from simulations of parametrized w(a) dark energy models at the few per cent level for k < 10 h Mpc-1, and we present theoretically motivated extensions to cover non-minimally coupled scalar fields, massive neutrinos and Vainshtein screened modified gravity models that result in few per cent accurate power spectra for k < 10 h Mpc-1. For chameleon screened models, we achieve only 10 per cent accuracy for the same range of scales. Finally, we use our halo model to investigate degeneracies between different extensions to the standard cosmological model, finding that the impact of baryonic feedback on the non-linear matter power spectrum can be considered independently of modified gravity or massive neutrino extensions. In contrast, considering the impact of modified gravity and massive neutrinos independently results in biased estimates of power at the level of 5 per cent at scales k > 0.5 h Mpc-1. An updated version of our publicly available HMCODE can be found at https://github.com/alexander-mead/hmcode.

  2. Terrane accretion: Insights from numerical modelling

    NASA Astrophysics Data System (ADS)

    Vogt, Katharina; Gerya, Taras

    2016-04-01

    The oceanic crust is not homogenous, but contains significantly thicker crust than norm, i.e. extinct arcs, spreading ridges, detached continental fragments, volcanic piles or oceanic swells. These (crustal) fragments may collide with continental crust and form accretionary complexes, contributing to its growth. We analyse this process using a thermo-mechanical computer model (i2vis) of an ocean-continent subduction zone. In this model the oceanic plate can bend spontaneously under the control of visco-plastic rheologies. It moreover incorporates effects such as mineralogical phase changes, fluid release and consumption, partial melting and melt extraction. Based on our 2-D experiments we suggest that the lithospheric buoyancy of the downgoing slab and the rheological strength of crustal material may result in a variety of accretionary processes. In addition to terrane subduction, we are able to identify three distinct modes of terrane accretion: frontal accretion, basal accretion and underplating plateaus. We show that crustal fragments may dock onto continental crust and cease subduction, be scrapped off the downgoing plate, or subduct to greater depth prior to slab break off and subsequent exhumation. Direct consequences of these processes include slab break off, subduction zone transference, structural reworking, formation of high-pressure terranes, partial melting and crustal growth.

  3. Numerical modeling of Deep Impact experiment

    NASA Astrophysics Data System (ADS)

    Sultanov, V. G.; Kim, V. V.; Lomonosov, I. V.; Shutov, A. V.; Fortov, V. E.

    2007-06-01

    The Deep Impact active space experiment has been done [1,2] to study a hypervelocity collision of a metal impactor with the comet 9P/Temple 1. The modeling of impact on solid or porous ice made it possible to conclude: the form and size of crater depends strongly on the density of comet material; the copper impactor does not melt and remains in the solid state; the temperature of ejecta varies from 5000 K for solid ice to 15000 K for porous ice. The impact on moist water- saturated sand demonstrated different results. In this case, the copper impactor practically does not penetrate the comet surface, melts, destroys and the ricochet process takes place. In the case of moist porous sand the produced crater is stretched in the direction of impact. The analysis of modeling results indicates to the presence of volatile easy-vaporized chemical compounds in the cometary surface. The hypothesis that the cometary surface consists of only ice does not agree with experimental and computational data on the forming and spreading of impact ejecta. [1] http://deepimpact.jpl.nasa.gov/home/index.html [2] M. F. A'Hearn et al, Deep Impact: Excavating Comet Tempel 1 // Science, 2005, v.310, pp. 258-264

  4. Numerical analysis and modeling of atmospheric phenomena

    NASA Technical Reports Server (NTRS)

    Stone, Peter H.

    1994-01-01

    For the past 22 years Grant NGR 22-009-727 has been supporting research in the Center for Meteorology and Physical Oceanography (and its predecessors) in a wide variety of diagnostic and modeling studies of atmospheric and ocean phenomena. Professor Jule Charney was the initial Principal Investigator. Professor Peter Stone joined him as co-Principal Investigator in 1975 and became the sole Principal Investigator in 1981. During its lifetime the Grant has supported in whole or in part 11 Master's theses, 14 Ph.D. theses, and 45 papers published in refereed scientific journals. All of these theses and papers (with bibliographic references) are listed below. All but one of the theses were used to fulfill the requirements for MIT (Massachusetts Institute of Technology) degrees and are available from the MIT libraries. The one exception is F. Chen's Ph.D. thesis which was for a Harvard degree and is available from the Harvard libraries. In addition to the work described in the citations listed below, the Grant has supported Research Assistant Amy Solomon during the past two years to carry out a study of how baroclinic adjustment is affected by vertical resolution, vertical temperature structure, and dissipation. Ms. Solomon plans to use this project for her Ph.D. thesis. Support for this project will continue under NASA Grant NAG 5-2490, 'The Factors Controlling Poleward Heat Transport in Climate Models.'

  5. Accurate modeling of switched reluctance machine based on hybrid trained WNN

    SciTech Connect

    Song, Shoujun Ge, Lefei; Ma, Shaojie; Zhang, Man

    2014-04-15

    According to the strong nonlinear electromagnetic characteristics of switched reluctance machine (SRM), a novel accurate modeling method is proposed based on hybrid trained wavelet neural network (WNN) which combines improved genetic algorithm (GA) with gradient descent (GD) method to train the network. In the novel method, WNN is trained by GD method based on the initial weights obtained per improved GA optimization, and the global parallel searching capability of stochastic algorithm and local convergence speed of deterministic algorithm are combined to enhance the training accuracy, stability and speed. Based on the measured electromagnetic characteristics of a 3-phase 12/8-pole SRM, the nonlinear simulation model is built by hybrid trained WNN in Matlab. The phase current and mechanical characteristics from simulation under different working conditions meet well with those from experiments, which indicates the accuracy of the model for dynamic and static performance evaluation of SRM and verifies the effectiveness of the proposed modeling method.

  6. Beyond Ellipse(s): Accurately Modelling the Isophotal Structure of Galaxies with ISOFIT and CMODEL

    NASA Astrophysics Data System (ADS)

    Ciambur, B. C.

    2015-09-01

    This work introduces a new fitting formalism for isophotes that enables more accurate modeling of galaxies with non-elliptical shapes, such as disk galaxies viewed edge-on or galaxies with X-shaped/peanut bulges. Within this scheme, the angular parameter that defines quasi-elliptical isophotes is transformed from the commonly used, but inappropriate, polar coordinate to the “eccentric anomaly.” This provides a superior description of deviations from ellipticity, better capturing the true isophotal shape. Furthermore, this makes it possible to accurately recover both the surface brightness profile, using the correct azimuthally averaged isophote, and the two-dimensional model of any galaxy: the hitherto ubiquitous, but artificial, cross-like features in residual images are completely removed. The formalism has been implemented into the Image Reduction and Analysis Facility tasks Ellipse and Bmodel to create the new tasks “Isofit,” and “Cmodel.” The new tools are demonstrated here with application to five galaxies, chosen to be representative case-studies for several areas where this technique makes it possible to gain new scientific insight. Specifically: properly quantifying boxy/disky isophotes via the fourth harmonic order in edge-on galaxies, quantifying X-shaped/peanut bulges, higher-order Fourier moments for modeling bars in disks, and complex isophote shapes. Higher order (n > 4) harmonics now become meaningful and may correlate with structural properties, as boxyness/diskyness is known to do. This work also illustrates how the accurate construction, and subtraction, of a model from a galaxy image facilitates the identification and recovery of over-lapping sources such as globular clusters and the optical counterparts of X-ray sources.

  7. An accurate and computationally efficient model for membrane-type circular-symmetric micro-hotplates.

    PubMed

    Khan, Usman; Falconi, Christian

    2014-01-01

    Ideally, the design of high-performance micro-hotplates would require a large number of simulations because of the existence of many important design parameters as well as the possibly crucial effects of both spread and drift. However, the computational cost of FEM simulations, which are the only available tool for accurately predicting the temperature in micro-hotplates, is very high. As a result, micro-hotplate designers generally have no effective simulation-tools for the optimization. In order to circumvent these issues, here, we propose a model for practical circular-symmetric micro-hot-plates which takes advantage of modified Bessel functions, computationally efficient matrix-approach for considering the relevant boundary conditions, Taylor linearization for modeling the Joule heating and radiation losses, and external-region-segmentation strategy in order to accurately take into account radiation losses in the entire micro-hotplate. The proposed model is almost as accurate as FEM simulations and two to three orders of magnitude more computationally efficient (e.g., 45 s versus more than 8 h). The residual errors, which are mainly associated to the undesired heating in the electrical contacts, are small (e.g., few degrees Celsius for an 800 °C operating temperature) and, for important analyses, almost constant. Therefore, we also introduce a computationally-easy single-FEM-compensation strategy in order to reduce the residual errors to about 1 °C. As illustrative examples of the power of our approach, we report the systematic investigation of a spread in the membrane thermal conductivity and of combined variations of both ambient and bulk temperatures. Our model enables a much faster characterization of micro-hotplates and, thus, a much more effective optimization prior to fabrication. PMID:24763214

  8. An Accurate and Computationally Efficient Model for Membrane-Type Circular-Symmetric Micro-Hotplates

    PubMed Central

    Khan, Usman; Falconi, Christian

    2014-01-01

    Ideally, the design of high-performance micro-hotplates would require a large number of simulations because of the existence of many important design parameters as well as the possibly crucial effects of both spread and drift. However, the computational cost of FEM simulations, which are the only available tool for accurately predicting the temperature in micro-hotplates, is very high. As a result, micro-hotplate designers generally have no effective simulation-tools for the optimization. In order to circumvent these issues, here, we propose a model for practical circular-symmetric micro-hot-plates which takes advantage of modified Bessel functions, computationally efficient matrix-approach for considering the relevant boundary conditions, Taylor linearization for modeling the Joule heating and radiation losses, and external-region-segmentation strategy in order to accurately take into account radiation losses in the entire micro-hotplate. The proposed model is almost as accurate as FEM simulations and two to three orders of magnitude more computationally efficient (e.g., 45 s versus more than 8 h). The residual errors, which are mainly associated to the undesired heating in the electrical contacts, are small (e.g., few degrees Celsius for an 800 °C operating temperature) and, for important analyses, almost constant. Therefore, we also introduce a computationally-easy single-FEM-compensation strategy in order to reduce the residual errors to about 1 °C. As illustrative examples of the power of our approach, we report the systematic investigation of a spread in the membrane thermal conductivity and of combined variations of both ambient and bulk temperatures. Our model enables a much faster characterization of micro-hotplates and, thus, a much more effective optimization prior to fabrication. PMID:24763214

  9. Experimental, Numerical and Observational Models in Geodynamics

    NASA Astrophysics Data System (ADS)

    Lithgow-Bertelloni, Carolina

    2015-04-01

    Geodynamics, the study of the forces that drives all Earth's processes is a rich field that deeply connects all aspects of geological and geophysical studies, from surface observations of the sedimentary record to knowledge of deep Earth structure from mineral physics and seismology. In the context of the solid Earth geodynamics primarily focuses on lithosphere and mantle dynamics, while core dynamics is the purview of geomagnetism. I will focus this talk on the former, its historical context and future developments. We have known the equations of motion and mechanics for ~200 years, but only relatively recently can they be solved with enough accuracy and resolution to do geology. We have made great strides since Arthur Holmes conceptual models of mantle flow, thanks to computational and experimental advances. We can know model plate boundaries globally with resolutions in the order of a few kms and image temperature and velocity simultaneously in the laboratory in 3D and non-intrusively. We have also learned a great deal about the physics of the Earth, from composition to rheology. New theories on plate boundary rheology are paving the way for self-consistent generation of plates from mantle flow. New computational methods allow for adaptive meshing, fabric development and history, so we can study deformation and compare directly to geological observations in mountain ranges and continental rifts. We can use ever more sophisticated images of mantle structure from seismic and other geophysical data to probe the relationship between melting, flow and dynamical processes. We can reconstruct landscapes and relief, plate motions and sedimentation and ask how much the mantle has contributed to drainage reversal, sedimentation and climate change. The future of the field is ever brighter.

  10. Seismoelectric numerical modeling on a grid

    USGS Publications Warehouse

    Haines, S.S.; Pride, S.R.

    2006-01-01

    Our finite-difference algorithm provides a new method for simulating how seismic waves in arbitrarily heterogeneous porous media generate electric fields through an electrokinetic mechanism called seismoelectric coupling. As the first step in our simulations, we calculate relative pore-fluid/grain-matrix displacement by using existing poroelastic theory. We then calculate the electric current resulting from the grain/fluid displacement by using seismoelectric coupling theory. This electrofiltration current acts as a source term in Poisson's equation, which then allows us to calculate the electric potential distribution. We can safely neglect induction effects in our simulations because the model area is within the electrostatic near field for the depth of investigation (tens to hundreds of meters) and the frequency ranges (10 Hz to 1 kHz) of interest for shallow seismoelectric surveys.We can independently calculate the electric-potential distribution for each time step in the poroelastic simulation without loss of accuracy because electro-osmotic feedback (fluid flow that is perturbed by generated electric fields) is at least 105 times smaller than flow that is driven by fluid-pressure gradients and matrix acceleration, and is therefore negligible. Our simulations demonstrate that, distinct from seismic reflections, the seismoelectric interface response from a thin layer (at least as thin as one-twentieth of the seismic wavelength) is considerably stronger than the response from a single interface. We find that the interface response amplitude decreases as the lateral extent of a layer decreases below the width of the first Fresnel zone. We conclude, on the basis of our modeling results and of field results published elsewhere, that downhole and/or crosswell survey geometries and time-lapse applications are particularly well suited to the seismoelectric method. ?? 2006 Society of Exploration Geophysicists.

  11. Theoretical and numerical modelling of shocks in dusty plasmas

    SciTech Connect

    Eliasson, B.; Shukla, P.K.

    2005-10-31

    The formation of dust acoustic (DA) and dust ion-acoustic (DIA) shocks are are studied theoretically and numerically by means of simple-wave solutions and a comparison between fluid and kinetic model for DIA waves. A fluid model admits sharp discontinuities at the shock front while the kinetic model involves Landau-damping of the the shock front.

  12. USER GUIDE FOR THE ENHANCED HYDRODYNAMICAL-NUMERICAL MODEL

    EPA Science Inventory

    This guide provides the documentation required for used of the Enhanced Hydrodynamical-Numerical Model on operational problems. The enhanced model is a multilayer Hansen type model extended to handle near-shore processes by including: Non-linear term extension to facilitate small...

  13. Numerical investigation of separated transonic turbulent flows with a multiple-time-scale turbulence model

    NASA Technical Reports Server (NTRS)

    Kim, S.-W.

    1990-01-01

    A numerical investigation of transonic turbulent flows separated by curvature and shock wave - boundary layer interaction is presented. The free stream Mach numbers considered are 0.4, 0.5, 0.6, 0.7, 0.8, 0.825, 0.85, 0.875, 0.90, and 0.925. In the numerical method, the conservation of mass equation is replaced by a pressure correction equation for compressible flows and thus incremental pressure is solved for instead of density. The turbulence is described by a multiple-time-scale turbulence model supplemented with a near-wall turbulence model. The present numerical results show that there exists a reversed flow region at all free stream Mach numbers considered whereas various k-epsilon turbulence models fail to predict such a reversed flow region at low free stream Mach numbers. The numerical results also show that the size of the reversed flow region grows extensively due to the shock wave - turbulent boundary layer interaction as the free stream Mach number is increased. These numerical results show that the turbulence model can resolve the turbulence field subjected to extra strains caused by the curvature and the shock wave - turbulent boundary layer interaction and that the numerical method yields a significantly accurate solution for the complex compressible turbulent flow.

  14. Numerical model for learning concepts of streamflow simulation

    USGS Publications Warehouse

    DeLong, L.L.

    1993-01-01

    Numerical models are useful for demonstrating principles of open-channel flow. Such models can allow experimentation with cause-and-effect relations, testing concepts of physics and numerical techniques. Four PT is a numerical model written primarily as a teaching supplement for a course in one-dimensional stream-flow modeling. Four PT options particularly useful in training include selection of governing equations, boundary-value perturbation, and user-programmable constraint equations. The model can simulate non-trivial concepts such as flow in complex interconnected channel networks, meandering channels with variable effective flow lengths, hydraulic structures defined by unique three-parameter relations, and density-driven flow.The model is coded in FORTRAN 77, and data encapsulation is used extensively to simplify maintenance and modification and to enhance the use of Four PT modules by other programs and programmers.

  15. Numerical modeling of elastodynamic radiation and scattering

    SciTech Connect

    Savic, M.; Ziolkowski, A.M.

    1994-12-31

    This paper presents a study on two problems: the two-dimensional distributed surface load problem, and the scattering of elastodynamic waves from fractures. The analysis is done with the aid of the finite-difference technique. If the dimensions of a surface mechanical source (vibrator or piezoelectric transducer) are not small compared to the wavelength, one should not use the point source or plane wave representation when modeling radiation from such sources. Here the authors demonstrate the solution of the uniformly distributed surface load problem using the finite-difference (FD) technique. The scattering of transient elasto-dynamic waves from a fracture whose extent is large compared with the wavelength and whose width is small compared with the wavelength and whose width is small compared with the wavelength is one of the classical problems in seismology and non-destructive testing (NDT). Many researchers have provided analytical solutions based on different approximations for the unknown field (displacement or particle velocity) scattered from an idealized half-plane or the a strip of finite extent. Again, the authors demonstrate the full wavefield solution using the finite-difference technique. The technique presented here is aimed for the interpretation of seismic data from hydraulic fracturing experiments.

  16. Squeal noise in simple numerical brake models

    NASA Astrophysics Data System (ADS)

    Oberst, S.; Lai, J. C. S.

    2015-09-01

    Since the early 1920s, automotive disc brake squeal has caused warranty issues and customer dissatisfaction. Despite a good deal of progress achieved, predicting brake squeal propensity is as difficult as ever as not all mechanisms and interactions are known owing to their highly fugitive complex nature. In recent years, research has been focused on the prediction of unstable vibration modes by the complex eigenvalue analysis (CEA) for the mode-coupling type of instability. There has been very limited consideration given to the calculation of the acoustic radiation properties due to friction contact between a pad and a rotor. Recent analyses using a forced response analysis with harmonic contact pressure excitation indicates negative dissipated energy at some pad eigenfrequencies predicted to be stable by the CEA. A transient nonlinear time domain analysis with no external excitation indicates that squeal could develop at these eigenfrequencies. Here, the acoustic radiation characteristics of those pad modes are determined by analysing the acoustic power levels and radiation efficiencies of simplified brake models in the form of a pad rubbing on a plate or on a disc using the acoustic boundary element method based on velocities extracted from the forced response analysis. Results show that unstable pad modes trigger unstable disc vibrations resulting in instantaneous mode squeal similar to those observed experimentally. Changes in the radiation efficiency with pressure variations are smaller than those with friction coefficient variations and are caused by the phase difference of the velocities out-of-plane vibration between the pad and the disc.

  17. Quantitative analysis of numerical solvers for oscillatory biomolecular system models

    PubMed Central

    Quo, Chang F; Wang, May D

    2008-01-01

    Background This article provides guidelines for selecting optimal numerical solvers for biomolecular system models. Because various parameters of the same system could have drastically different ranges from 10-15 to 1010, the ODEs can be stiff and ill-conditioned, resulting in non-unique, non-existing, or non-reproducible modeling solutions. Previous studies have not examined in depth how to best select numerical solvers for biomolecular system models, which makes it difficult to experimentally validate the modeling results. To address this problem, we have chosen one of the well-known stiff initial value problems with limit cycle behavior as a test-bed system model. Solving this model, we have illustrated that different answers may result from different numerical solvers. We use MATLAB numerical solvers because they are optimized and widely used by the modeling community. We have also conducted a systematic study of numerical solver performances by using qualitative and quantitative measures such as convergence, accuracy, and computational cost (i.e. in terms of function evaluation, partial derivative, LU decomposition, and "take-off" points). The results show that the modeling solutions can be drastically different using different numerical solvers. Thus, it is important to intelligently select numerical solvers when solving biomolecular system models. Results The classic Belousov-Zhabotinskii (BZ) reaction is described by the Oregonator model and is used as a case study. We report two guidelines in selecting optimal numerical solver(s) for stiff, complex oscillatory systems: (i) for problems with unknown parameters, ode45 is the optimal choice regardless of the relative error tolerance; (ii) for known stiff problems, both ode113 and ode15s are good choices under strict relative tolerance conditions. Conclusions For any given biomolecular model, by building a library of numerical solvers with quantitative performance assessment metric, we show that it is possible

  18. What input data are needed to accurately model electromagnetic fields from mobile phone base stations?

    PubMed

    Beekhuizen, Johan; Kromhout, Hans; Bürgi, Alfred; Huss, Anke; Vermeulen, Roel

    2015-01-01

    The increase in mobile communication technology has led to concern about potential health effects of radio frequency electromagnetic fields (RF-EMFs) from mobile phone base stations. Different RF-EMF prediction models have been applied to assess population exposure to RF-EMF. Our study examines what input data are needed to accurately model RF-EMF, as detailed data are not always available for epidemiological studies. We used NISMap, a 3D radio wave propagation model, to test models with various levels of detail in building and antenna input data. The model outcomes were compared with outdoor measurements taken in Amsterdam, the Netherlands. Results showed good agreement between modelled and measured RF-EMF when 3D building data and basic antenna information (location, height, frequency and direction) were used: Spearman correlations were >0.6. Model performance was not sensitive to changes in building damping parameters. Antenna-specific information about down-tilt, type and output power did not significantly improve model performance compared with using average down-tilt and power values, or assuming one standard antenna type. We conclude that 3D radio wave propagation modelling is a feasible approach to predict outdoor RF-EMF levels for ranking exposure levels in epidemiological studies, when 3D building data and information on the antenna height, frequency, location and direction are available. PMID:24472756

  19. Numerical modelling of the solidification of ductile iron

    NASA Astrophysics Data System (ADS)

    Liu, J.; Elliott, R.

    1998-01-01

    Numerical calculations are presented describing the solidification of a ductile iron based on the Stefanescu macroscopic heat transfer-microscopic solidification kinetic model but using a different kinetic model than that used by Stefanescu. The results show that the kinetic model used influences the recalescence behaviour predicted by the modelling. Cooling curves calculated with the present model show reasonable agreement with experimentally measured cooling curves for four different cooling rates.

  20. Numerical simulations of a reduced model for blood coagulation

    NASA Astrophysics Data System (ADS)

    Pavlova, Jevgenija; Fasano, Antonio; Sequeira, Adélia

    2016-04-01

    In this work, the three-dimensional numerical resolution of a complex mathematical model for the blood coagulation process is presented. The model was illustrated in Fasano et al. (Clin Hemorheol Microcirc 51:1-14, 2012), Pavlova et al. (Theor Biol 380:367-379, 2015). It incorporates the action of the biochemical and cellular components of blood as well as the effects of the flow. The model is characterized by a reduction in the biochemical network and considers the impact of the blood slip at the vessel wall. Numerical results showing the capacity of the model to predict different perturbations in the hemostatic system are discussed.

  1. Accurate verification of the conserved-vector-current and standard-model predictions

    SciTech Connect

    Sirlin, A.; Zucchini, R.

    1986-10-20

    An approximate analytic calculation of O(Z..cap alpha../sup 2/) corrections to Fermi decays is presented. When the analysis of Koslowsky et al. is modified to take into account the new results, it is found that each of the eight accurately studied scrFt values differs from the average by approx. <1sigma, thus significantly improving the comparison of experiments with conserved-vector-current predictions. The new scrFt values are lower than before, which also brings experiments into very good agreement with the three-generation standard model, at the level of its quantum corrections.

  2. Double Cluster Heads Model for Secure and Accurate Data Fusion in Wireless Sensor Networks

    PubMed Central

    Fu, Jun-Song; Liu, Yun

    2015-01-01

    Secure and accurate data fusion is an important issue in wireless sensor networks (WSNs) and has been extensively researched in the literature. In this paper, by combining clustering techniques, reputation and trust systems, and data fusion algorithms, we propose a novel cluster-based data fusion model called Double Cluster Heads Model (DCHM) for secure and accurate data fusion in WSNs. Different from traditional clustering models in WSNs, two cluster heads are selected after clustering for each cluster based on the reputation and trust system and they perform data fusion independently of each other. Then, the results are sent to the base station where the dissimilarity coefficient is computed. If the dissimilarity coefficient of the two data fusion results exceeds the threshold preset by the users, the cluster heads will be added to blacklist, and the cluster heads must be reelected by the sensor nodes in a cluster. Meanwhile, feedback is sent from the base station to the reputation and trust system, which can help us to identify and delete the compromised sensor nodes in time. Through a series of extensive simulations, we found that the DCHM performed very well in data fusion security and accuracy. PMID:25608211

  3. Particle Image Velocimetry Measurements in Anatomically-Accurate Models of the Mammalian Nasal Cavity

    NASA Astrophysics Data System (ADS)

    Rumple, C.; Richter, J.; Craven, B. A.; Krane, M.

    2012-11-01

    A summary of the research being carried out by our multidisciplinary team to better understand the form and function of the nose in different mammalian species that include humans, carnivores, ungulates, rodents, and marine animals will be presented. The mammalian nose houses a convoluted airway labyrinth, where two hallmark features of mammals occur, endothermy and olfaction. Because of the complexity of the nasal cavity, the anatomy and function of these upper airways remain poorly understood in most mammals. However, recent advances in high-resolution medical imaging, computational modeling, and experimental flow measurement techniques are now permitting the study of airflow and respiratory and olfactory transport phenomena in anatomically-accurate reconstructions of the nasal cavity. Here, we focus on efforts to manufacture transparent, anatomically-accurate models for stereo particle image velocimetry (SPIV) measurements of nasal airflow. Challenges in the design and manufacture of index-matched anatomical models are addressed and preliminary SPIV measurements are presented. Such measurements will constitute a validation database for concurrent computational fluid dynamics (CFD) simulations of mammalian respiration and olfaction. Supported by the National Science Foundation.

  4. Fully Automated Generation of Accurate Digital Surface Models with Sub-Meter Resolution from Satellite Imagery

    NASA Astrophysics Data System (ADS)

    Wohlfeil, J.; Hirschmüller, H.; Piltz, B.; Börner, A.; Suppa, M.

    2012-07-01

    Modern pixel-wise image matching algorithms like Semi-Global Matching (SGM) are able to compute high resolution digital surface models from airborne and spaceborne stereo imagery. Although image matching itself can be performed automatically, there are prerequisites, like high geometric accuracy, which are essential for ensuring the high quality of resulting surface models. Especially for line cameras, these prerequisites currently require laborious manual interaction using standard tools, which is a growing problem due to continually increasing demand for such surface models. The tedious work includes partly or fully manual selection of tie- and/or ground control points for ensuring the required accuracy of the relative orientation of images for stereo matching. It also includes masking of large water areas that seriously reduce the quality of the results. Furthermore, a good estimate of the depth range is required, since accurate estimates can seriously reduce the processing time for stereo matching. In this paper an approach is presented that allows performing all these steps fully automated. It includes very robust and precise tie point selection, enabling the accurate calculation of the images' relative orientation via bundle adjustment. It is also shown how water masking and elevation range estimation can be performed automatically on the base of freely available SRTM data. Extensive tests with a large number of different satellite images from QuickBird and WorldView are presented as proof of the robustness and reliability of the proposed method.

  5. Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties

    NASA Technical Reports Server (NTRS)

    Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.

    1992-01-01

    The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.

  6. Hybrid predictions of railway induced ground vibration using a combination of experimental measurements and numerical modelling

    NASA Astrophysics Data System (ADS)

    Kuo, K. A.; Verbraken, H.; Degrande, G.; Lombaert, G.

    2016-07-01

    Along with the rapid expansion of urban rail networks comes the need for accurate predictions of railway induced vibration levels at grade and in buildings. Current computational methods for making predictions of railway induced ground vibration rely on simplifying modelling assumptions and require detailed parameter inputs, which lead to high levels of uncertainty. It is possible to mitigate against these issues using a combination of field measurements and state-of-the-art numerical methods, known as a hybrid model. In this paper, two hybrid models are developed, based on the use of separate source and propagation terms that are quantified using in situ measurements or modelling results. These models are implemented using term definitions proposed by the Federal Railroad Administration and assessed using the specific illustration of a surface railway. It is shown that the limitations of numerical and empirical methods can be addressed in a hybrid procedure without compromising prediction accuracy.

  7. A semi-nonlocal numerical approach for modeling of temperature-dependent crack-wave interaction

    NASA Astrophysics Data System (ADS)

    Martowicz, Adam; Kijanka, Piotr; Staszewski, Wieslaw J.

    2016-04-01

    Numerical tools, which are used to simulate complex phenomena for models of complicated shapes suffer from either long computational time or accuracy. Hence, new modeling and simulation tools, which could offer reliable results within reasonable time periods, are highly demanded. Among other approaches, the nonlocal methods have appeared to fulfill these requirements quite efficiently and opened new perspectives for accurate simulations based on crude meshes of the model's degrees of freedom. In the paper, the preliminary results are shown for simulations of the phenomenon of temperature-dependent crack-wave interaction for elastic wave propagation in a model of an aluminum plate. Semi-nonlocal finite differences are considered to solve the problem of thermoelasticity - based on the discretization schemes, which were already proposed by the authors and taken from the previously published work. Numerical modeling is used to examine wave propagation primarily in the vicinity of a notch. Both displacement and temperature fields are sought in the investigated case study.

  8. Quantitative comparisons of numerical models of brittle wedge dynamics

    NASA Astrophysics Data System (ADS)

    Buiter, Susanne

    2010-05-01

    Numerical and laboratory models are often used to investigate the evolution of deformation processes at various scales in crust and lithosphere. In both approaches, the freedom in choice of simulation method, materials and their properties, and deformation laws could affect model outcomes. To assess the role of modelling method and to quantify the variability among models, we have performed a comparison of laboratory and numerical experiments. Here, we present results of 11 numerical codes, which use finite element, finite difference and distinct element techniques. We present three experiments that describe shortening of a sand-like, brittle wedge. The material properties of the numerical ‘sand', the model set-up and the boundary conditions are strictly prescribed and follow the analogue setup as closely as possible. Our first experiment translates a non-accreting wedge with a stable surface slope of 20 degrees. In agreement with critical wedge theory, all models maintain the same surface slope and do not deform. This experiment serves as a reference that allows for testing against analytical solutions for taper angle, root-mean-square velocity and gravitational rate of work. The next two experiments investigate an unstable wedge in a sandbox-like setup, which deforms by inward translation of a mobile wall. The models accommodate shortening by formation of forward and backward shear zones. We compare surface slope, rate of dissipation of energy, root-mean-square velocity, and the location, dip angle and spacing of shear zones. We show that we successfully simulate sandbox-style brittle behaviour using different numerical modelling techniques and that we obtain the same styles of deformation behaviour in numerical and laboratory experiments at similar levels of variability. The GeoMod2008 Numerical Team: Markus Albertz, Michelle Cooke, Tony Crook, David Egholm, Susan Ellis, Taras Gerya, Luke Hodkinson, Boris Kaus, Walter Landry, Bertrand Maillot, Yury Mishin

  9. The importance of accurate muscle modelling for biomechanical analyses: a case study with a lizard skull

    PubMed Central

    Gröning, Flora; Jones, Marc E. H.; Curtis, Neil; Herrel, Anthony; O'Higgins, Paul; Evans, Susan E.; Fagan, Michael J.

    2013-01-01

    Computer-based simulation techniques such as multi-body dynamics analysis are becoming increasingly popular in the field of skull mechanics. Multi-body models can be used for studying the relationships between skull architecture, muscle morphology and feeding performance. However, to be confident in the modelling results, models need to be validated against experimental data, and the effects of uncertainties or inaccuracies in the chosen model attributes need to be assessed with sensitivity analyses. Here, we compare the bite forces predicted by a multi-body model of a lizard (Tupinambis merianae) with in vivo measurements, using anatomical data collected from the same specimen. This subject-specific model predicts bite forces that are very close to the in vivo measurements and also shows a consistent increase in bite force as the bite position is moved posteriorly on the jaw. However, the model is very sensitive to changes in muscle attributes such as fibre length, intrinsic muscle strength and force orientation, with bite force predictions varying considerably when these three variables are altered. We conclude that accurate muscle measurements are crucial to building realistic multi-body models and that subject-specific data should be used whenever possible. PMID:23614944

  10. The importance of accurate muscle modelling for biomechanical analyses: a case study with a lizard skull.

    PubMed

    Gröning, Flora; Jones, Marc E H; Curtis, Neil; Herrel, Anthony; O'Higgins, Paul; Evans, Susan E; Fagan, Michael J

    2013-07-01

    Computer-based simulation techniques such as multi-body dynamics analysis are becoming increasingly popular in the field of skull mechanics. Multi-body models can be used for studying the relationships between skull architecture, muscle morphology and feeding performance. However, to be confident in the modelling results, models need to be validated against experimental data, and the effects of uncertainties or inaccuracies in the chosen model attributes need to be assessed with sensitivity analyses. Here, we compare the bite forces predicted by a multi-body model of a lizard (Tupinambis merianae) with in vivo measurements, using anatomical data collected from the same specimen. This subject-specific model predicts bite forces that are very close to the in vivo measurements and also shows a consistent increase in bite force as the bite position is moved posteriorly on the jaw. However, the model is very sensitive to changes in muscle attributes such as fibre length, intrinsic muscle strength and force orientation, with bite force predictions varying considerably when these three variables are altered. We conclude that accurate muscle measurements are crucial to building realistic multi-body models and that subject-specific data should be used whenever possible. PMID:23614944

  11. An accurate and comprehensive model of thin fluid flows with inertia on curved substrates

    NASA Astrophysics Data System (ADS)

    Roberts, A. J.; Li, Zhenquan

    2006-04-01

    Consider the three-dimensional flow of a viscous Newtonian fluid upon a curved two-dimensional substrate when the fluid film is thin, as occurs in many draining, coating and biological flows. We derive a comprehensive model of the dynamics of the film, the model being expressed in terms of the film thickness eta and the average lateral velocity bar{bm u}. Centre manifold theory assures us that the model accurately and systematically includes the effects of the curvature of substrate, gravitational body force, fluid inertia and dissipation. The model resolves wavelike phenomena in the dynamics of viscous fluid flows over arbitrarily curved substrates such as cylinders, tubes and spheres. We briefly illustrate its use in simulating drop formation on cylindrical fibres, wave transitions, three-dimensional instabilities, Faraday waves, viscous hydraulic jumps, flow vortices in a compound channel and flow down and up a step. These models are the most complete models for thin-film flow of a Newtonian fluid; many other thin-film models can be obtained by different restrictions and truncations of the model derived here.

  12. Numerical modelling in biosciences using delay differential equations

    NASA Astrophysics Data System (ADS)

    Bocharov, Gennadii A.; Rihan, Fathalla A.

    2000-12-01

    Our principal purposes here are (i) to consider, from the perspective of applied mathematics, models of phenomena in the biosciences that are based on delay differential equations and for which numerical approaches are a major tool in understanding their dynamics, (ii) to review the application of numerical techniques to investigate these models. We show that there are prima facie reasons for using such models: (i) they have a richer mathematical framework (compared with ordinary differential equations) for the analysis of biosystem dynamics, (ii) they display better consistency with the nature of certain biological processes and predictive results. We analyze both the qualitative and quantitative role that delays play in basic time-lag models proposed in population dynamics, epidemiology, physiology, immunology, neural networks and cell kinetics. We then indicate suitable computational techniques for the numerical treatment of mathematical problems emerging in the biosciences, comparing them with those implemented by the bio-modellers.

  13. Digitalized accurate modeling of SPCB with multi-spiral surface based on CPC algorithm

    NASA Astrophysics Data System (ADS)

    Huang, Yanhua; Gu, Lizhi

    2015-09-01

    The main methods of the existing multi-spiral surface geometry modeling include spatial analytic geometry algorithms, graphical method, interpolation and approximation algorithms. However, there are some shortcomings in these modeling methods, such as large amount of calculation, complex process, visible errors, and so on. The above methods have, to some extent, restricted the design and manufacture of the premium and high-precision products with spiral surface considerably. This paper introduces the concepts of the spatially parallel coupling with multi-spiral surface and spatially parallel coupling body. The typical geometry and topological features of each spiral surface forming the multi-spiral surface body are determined, by using the extraction principle of datum point cluster, the algorithm of coupling point cluster by removing singular point, and the "spatially parallel coupling" principle based on the non-uniform B-spline for each spiral surface. The orientation and quantitative relationships of datum point cluster and coupling point cluster in Euclidean space are determined accurately and in digital description and expression, coupling coalescence of the surfaces with multi-coupling point clusters under the Pro/E environment. The digitally accurate modeling of spatially parallel coupling body with multi-spiral surface is realized. The smooth and fairing processing is done to the three-blade end-milling cutter's end section area by applying the principle of spatially parallel coupling with multi-spiral surface, and the alternative entity model is processed in the four axis machining center after the end mill is disposed. And the algorithm is verified and then applied effectively to the transition area among the multi-spiral surface. The proposed model and algorithms may be used in design and manufacture of the multi-spiral surface body products, as well as in solving essentially the problems of considerable modeling errors in computer graphics and

  14. Large scale nonlinear numerical optimal control for finite element models of flexible structures

    NASA Technical Reports Server (NTRS)

    Shoemaker, Christine A.; Liao, Li-Zhi

    1990-01-01

    This paper discusses the development of large scale numerical optimal control algorithms for nonlinear systems and their application to finite element models of structures. This work is based on our expansion of the optimal control algorithm (DDP) in the following steps: improvement of convergence for initial policies in non-convex regions, development of a numerically accurate penalty function method approach for constrained DDP problems, and parallel processing on supercomputers. The expanded constrained DDP algorithm was applied to the control of a four-bay, two dimensional truss with 12 soft members, which generates geometric nonlinearities. Using an explicit finite element model to describe the structural system requires 32 state variables and 10,000 time steps. Our numerical results indicate that for constrained or unconstrained structural problems with nonlinear dynamics, the results obtained by our expanded constrained DDP are significantly better than those obtained using linear-quadratic feedback control.

  15. More accurate predictions with transonic Navier-Stokes methods through improved turbulence modeling

    NASA Technical Reports Server (NTRS)

    Johnson, Dennis A.

    1989-01-01

    Significant improvements in predictive accuracies for off-design conditions are achievable through better turbulence modeling; and, without necessarily adding any significant complication to the numerics. One well established fact about turbulence is it is slow to respond to changes in the mean strain field. With the 'equilibrium' algebraic turbulence models no attempt is made to model this characteristic and as a consequence these turbulence models exaggerate the turbulent boundary layer's ability to produce turbulent Reynolds shear stresses in regions of adverse pressure gradient. As a consequence, too little momentum loss within the boundary layer is predicted in the region of the shock wave and along the aft part of the airfoil where the surface pressure undergoes further increases. Recently, a 'nonequilibrium' algebraic turbulence model was formulated which attempts to capture this important characteristic of turbulence. This 'nonequilibrium' algebraic model employs an ordinary differential equation to model the slow response of the turbulence to changes in local flow conditions. In its original form, there was some question as to whether this 'nonequilibrium' model performed as well as the 'equilibrium' models for weak interaction cases. However, this turbulence model has since been further improved wherein it now appears that this turbulence model performs at least as well as the 'equilibrium' models for weak interaction cases and for strong interaction cases represents a very significant improvement. The performance of this turbulence model relative to popular 'equilibrium' models is illustrated for three airfoil test cases of the 1987 AIAA Viscous Transonic Airfoil Workshop, Reno, Nevada. A form of this 'nonequilibrium' turbulence model is currently being applied to wing flows for which similar improvements in predictive accuracy are being realized.

  16. Toward accurate modelling of the non-linear matter bispectrum: standard perturbation theory and transients from initial conditions

    NASA Astrophysics Data System (ADS)

    McCullagh, Nuala; Jeong, Donghui; Szalay, Alexander S.

    2016-01-01

    Accurate modelling of non-linearities in the galaxy bispectrum, the Fourier transform of the galaxy three-point correlation function, is essential to fully exploit it as a cosmological probe. In this paper, we present numerical and theoretical challenges in modelling the non-linear bispectrum. First, we test the robustness of the matter bispectrum measured from N-body simulations using different initial conditions generators. We run a suite of N-body simulations using the Zel'dovich approximation and second-order Lagrangian perturbation theory (2LPT) at different starting redshifts, and find that transients from initial decaying modes systematically reduce the non-linearities in the matter bispectrum. To achieve 1 per cent accuracy in the matter bispectrum at z ≤ 3 on scales k < 1 h Mpc-1, 2LPT initial conditions generator with initial redshift z ≳ 100 is required. We then compare various analytical formulas and empirical fitting functions for modelling the non-linear matter bispectrum, and discuss the regimes for which each is valid. We find that the next-to-leading order (one-loop) correction from standard perturbation theory matches with N-body results on quasi-linear scales for z ≥ 1. We find that the fitting formula in Gil-Marín et al. accurately predicts the matter bispectrum for z ≤ 1 on a wide range of scales, but at higher redshifts, the fitting formula given in Scoccimarro & Couchman gives the best agreement with measurements from N-body simulations.

  17. Algal productivity modeling: a step toward accurate assessments of full-scale algal cultivation.

    PubMed

    Béchet, Quentin; Chambonnière, Paul; Shilton, Andy; Guizard, Guillaume; Guieysse, Benoit

    2015-05-01

    A new biomass productivity model was parameterized for Chlorella vulgaris using short-term (<30 min) oxygen productivities from algal microcosms exposed to 6 light intensities (20-420 W/m(2)) and 6 temperatures (5-42 °C). The model was then validated against experimental biomass productivities recorded in bench-scale photobioreactors operated under 4 light intensities (30.6-74.3 W/m(2)) and 4 temperatures (10-30 °C), yielding an accuracy of ± 15% over 163 days of cultivation. This modeling approach addresses major challenges associated with the accurate prediction of algal productivity at full-scale. Firstly, while most prior modeling approaches have only considered the impact of light intensity on algal productivity, the model herein validated also accounts for the critical impact of temperature. Secondly, this study validates a theoretical approach to convert short-term oxygen productivities into long-term biomass productivities. Thirdly, the experimental methodology used has the practical advantage of only requiring one day of experimental work for complete model parameterization. The validation of this new modeling approach is therefore an important step for refining feasibility assessments of algae biotechnologies. PMID:25502920

  18. Numerical modelling of river morphodynamics: Latest developments and remaining challenges

    NASA Astrophysics Data System (ADS)

    Siviglia, Annunziato; Crosato, Alessandra

    2016-07-01

    Numerical morphodynamic models provide scientific frameworks for advancing our understanding of river systems. The research on involved topics is an important and socially relevant undertaking regarding our environment. Nowadays numerical models are used for different purposes, from answering questions about basic morphodynamic research to managing complex river engineering problems. Due to increasing computer power and the development of advanced numerical techniques, morphodynamic models are now more and more used to predict the bed patterns evolution to a broad spectrum of spatial and temporal scales. The development and the success of application of such models are based upon a wide range of disciplines from applied mathematics for the numerical solution of the equations to geomorphology for the physical interpretation of the results. In this light we organized this special issue (SI) soliciting multidisciplinary contributions which encompass any aspect needed for the development and applications of such models. Most of the papers in the SI stem from contributions to session HS9.5/GM7.11 on numerical modelling and experiments in river morphodynamics at the European Geosciences Union (EGU) General Assembly held in Vienna, April 27th to May 2nd 2014.

  19. Turtle utricle dynamic behavior using a combined anatomically accurate model and experimentally measured hair bundle stiffness

    PubMed Central

    Davis, J.L.; Grant, J.W.

    2014-01-01

    Anatomically correct turtle utricle geometry was incorporated into two finite element models. The geometrically accurate model included appropriately shaped macular surface and otoconial layer, compact gel and column filament (or shear) layer thicknesses and thickness distributions. The first model included a shear layer where the effects of hair bundle stiffness was included as part of the shear layer modulus. This solid model’s undamped natural frequency was matched to an experimentally measured value. This frequency match established a realistic value of the effective shear layer Young’s modulus of 16 Pascals. We feel this is the most accurate prediction of this shear layer modulus and fits with other estimates (Kondrachuk, 2001b). The second model incorporated only beam elements in the shear layer to represent hair cell bundle stiffness. The beam element stiffness’s were further distributed to represent their location on the neuroepithelial surface. Experimentally measured striola hair cell bundles mean stiffness values were used in the striolar region and the mean extrastriola hair cell bundles stiffness values were used in this region. The results from this second model indicated that hair cell bundle stiffness contributes approximately 40% to the overall stiffness of the shear layer– hair cell bundle complex. This analysis shows that high mass saccules, in general, achieve high gain at the sacrifice of frequency bandwidth. We propose the mechanism by which this can be achieved is through increase the otoconial layer mass. The theoretical difference in gain (deflection per acceleration) is shown for saccules with large otoconial layer mass relative to saccules and utricles with small otoconial layer mass. Also discussed is the necessity of these high mass saccules to increase their overall system shear layer stiffness. Undamped natural frequencies and mode shapes for these sensors are shown. PMID:25445820

  20. Nonspinning numerical relativity waveform surrogates: assessing the model

    NASA Astrophysics Data System (ADS)

    Field, Scott; Blackman, Jonathan; Galley, Chad; Scheel, Mark; Szilagyi, Bela; Tiglio, Manuel

    2015-04-01

    Recently, multi-modal gravitational waveform surrogate models have been built directly from data numerically generated by the Spectral Einstein Code (SpEC). I will describe ways in which the surrogate model error can be quantified. This task, in turn, requires (i) characterizing differences between waveforms computed by SpEC with those predicted by the surrogate model and (ii) estimating errors associated with the SpEC waveforms from which the surrogate is built. Both pieces can have numerous sources of numerical and systematic errors. We make an attempt to study the most dominant error sources and, ultimately, the surrogate model's fidelity. These investigations yield information about the surrogate model's uncertainty as a function of time (or frequency) and parameter, and could be useful in parameter estimation studies which seek to incorporate model error. Finally, I will conclude by comparing the numerical relativity surrogate model to other inspiral-merger-ringdown models. A companion talk will cover the building of multi-modal surrogate models.

  1. A Flexible Fringe Projection Vision System with Extended Mathematical Model for Accurate Three-Dimensional Measurement

    PubMed Central

    Xiao, Suzhi; Tao, Wei; Zhao, Hui

    2016-01-01

    In order to acquire an accurate three-dimensional (3D) measurement, the traditional fringe projection technique applies complex and laborious procedures to compensate for the errors that exist in the vision system. However, the error sources in the vision system are very complex, such as lens distortion, lens defocus, and fringe pattern nonsinusoidality. Some errors cannot even be explained or rendered with clear expressions and are difficult to compensate directly as a result. In this paper, an approach is proposed that avoids the complex and laborious compensation procedure for error sources but still promises accurate 3D measurement. It is realized by the mathematical model extension technique. The parameters of the extended mathematical model for the ’phase to 3D coordinates transformation’ are derived using the least-squares parameter estimation algorithm. In addition, a phase-coding method based on a frequency analysis is proposed for the absolute phase map retrieval to spatially isolated objects. The results demonstrate the validity and the accuracy of the proposed flexible fringe projection vision system on spatially continuous and discontinuous objects for 3D measurement. PMID:27136553

  2. Accurately modeling Gaussian beam propagation in the context of Monte Carlo techniques

    NASA Astrophysics Data System (ADS)

    Hokr, Brett H.; Winblad, Aidan; Bixler, Joel N.; Elpers, Gabriel; Zollars, Byron; Scully, Marlan O.; Yakovlev, Vladislav V.; Thomas, Robert J.

    2016-03-01

    Monte Carlo simulations are widely considered to be the gold standard for studying the propagation of light in turbid media. However, traditional Monte Carlo methods fail to account for diffraction because they treat light as a particle. This results in converging beams focusing to a point instead of a diffraction limited spot, greatly effecting the accuracy of Monte Carlo simulations near the focal plane. Here, we present a technique capable of simulating a focusing beam in accordance to the rules of Gaussian optics, resulting in a diffraction limited focal spot. This technique can be easily implemented into any traditional Monte Carlo simulation allowing existing models to be converted to include accurate focusing geometries with minimal effort. We will present results for a focusing beam in a layered tissue model, demonstrating that for different scenarios the region of highest intensity, thus the greatest heating, can change from the surface to the focus. The ability to simulate accurate focusing geometries will greatly enhance the usefulness of Monte Carlo for countless applications, including studying laser tissue interactions in medical applications and light propagation through turbid media.

  3. A Biomechanical Model of the Scapulothoracic Joint to Accurately Capture Scapular Kinematics during Shoulder Movements

    PubMed Central

    Seth, Ajay; Matias, Ricardo; Veloso, António P.; Delp, Scott L.

    2016-01-01

    The complexity of shoulder mechanics combined with the movement of skin relative to the scapula makes it difficult to measure shoulder kinematics with sufficient accuracy to distinguish between symptomatic and asymptomatic individuals. Multibody skeletal models can improve motion capture accuracy by reducing the space of possible joint movements, and models are used widely to improve measurement of lower limb kinematics. In this study, we developed a rigid-body model of a scapulothoracic joint to describe the kinematics of the scapula relative to the thorax. This model describes scapular kinematics with four degrees of freedom: 1) elevation and 2) abduction of the scapula on an ellipsoidal thoracic surface, 3) upward rotation of the scapula normal to the thoracic surface, and 4) internal rotation of the scapula to lift the medial border of the scapula off the surface of the thorax. The surface dimensions and joint axes can be customized to match an individual’s anthropometry. We compared the model to “gold standard” bone-pin kinematics collected during three shoulder tasks and found modeled scapular kinematics to be accurate to within 2mm root-mean-squared error for individual bone-pin markers across all markers and movement tasks. As an additional test, we added random and systematic noise to the bone-pin marker data and found that the model reduced kinematic variability due to noise by 65% compared to Euler angles computed without the model. Our scapulothoracic joint model can be used for inverse and forward dynamics analyses and to compute joint reaction loads. The computational performance of the scapulothoracic joint model is well suited for real-time applications; it is freely available for use with OpenSim 3.2, and is customizable and usable with other OpenSim models. PMID:26734761

  4. A Biomechanical Model of the Scapulothoracic Joint to Accurately Capture Scapular Kinematics during Shoulder Movements.

    PubMed

    Seth, Ajay; Matias, Ricardo; Veloso, António P; Delp, Scott L

    2016-01-01

    The complexity of shoulder mechanics combined with the movement of skin relative to the scapula makes it difficult to measure shoulder kinematics with sufficient accuracy to distinguish between symptomatic and asymptomatic individuals. Multibody skeletal models can improve motion capture accuracy by reducing the space of possible joint movements, and models are used widely to improve measurement of lower limb kinematics. In this study, we developed a rigid-body model of a scapulothoracic joint to describe the kinematics of the scapula relative to the thorax. This model describes scapular kinematics with four degrees of freedom: 1) elevation and 2) abduction of the scapula on an ellipsoidal thoracic surface, 3) upward rotation of the scapula normal to the thoracic surface, and 4) internal rotation of the scapula to lift the medial border of the scapula off the surface of the thorax. The surface dimensions and joint axes can be customized to match an individual's anthropometry. We compared the model to "gold standard" bone-pin kinematics collected during three shoulder tasks and found modeled scapular kinematics to be accurate to within 2 mm root-mean-squared error for individual bone-pin markers across all markers and movement tasks. As an additional test, we added random and systematic noise to the bone-pin marker data and found that the model reduced kinematic variability due to noise by 65% compared to Euler angles computed without the model. Our scapulothoracic joint model can be used for inverse and forward dynamics analyses and to compute joint reaction loads. The computational performance of the scapulothoracic joint model is well suited for real-time applications; it is freely available for use with OpenSim 3.2, and is customizable and usable with other OpenSim models. PMID:26734761

  5. Fractional Order Modeling of Atmospheric Turbulence - A More Accurate Modeling Methodology for Aero Vehicles

    NASA Technical Reports Server (NTRS)

    Kopasakis, George

    2014-01-01

    The presentation covers a recently developed methodology to model atmospheric turbulence as disturbances for aero vehicle gust loads and for controls development like flutter and inlet shock position. The approach models atmospheric turbulence in their natural fractional order form, which provides for more accuracy compared to traditional methods like the Dryden model, especially for high speed vehicle. The presentation provides a historical background on atmospheric turbulence modeling and the approaches utilized for air vehicles. This is followed by the motivation and the methodology utilized to develop the atmospheric turbulence fractional order modeling approach. Some examples covering the application of this method are also provided, followed by concluding remarks.

  6. Comparison of two numerical techniques for aerodynamic model identification

    NASA Technical Reports Server (NTRS)

    Verhaegen, M. H.

    1987-01-01

    An algorithm, called the Minimal Residual QR algorithm, is presented to solve subset regression problems. It is shown that this scheme can be used as a numerically reliable implementation of the stepwise regression technique, which is widely used to identify an aerodynamic model from flight test data. This capability as well as the numerical superiority of this scheme over the stepwise regression technique is demonstrated in an experimental simulation study.

  7. Numerical Modelling of Subduction Zones: a New Beginning

    NASA Astrophysics Data System (ADS)

    Ficini, Eleonora; Dal Zilio, Luca; Doglioni, Carlo; Gerya, Taras V.

    2016-04-01

    , if any (e.g., Doglioni et al., 2007; Afonso et al., 2008). Therefore we attempt to generate a different model setup in which are included both a decoupling at the lithosphere base and the "westward" drift of the lithosphere that implies a relative "eastward" mantle flow. The method used for this task is an implementation of I2VIS code, a 2D thermomechanical code incorporating both a characteristics based marker-in-cell method and conservative finite-difference (FD) schemes (Gerya and Yuen, 2003). The implementation involves both the integration of the LVZ and the application of an incoming and outgoing mantle flow through the lateral boundaries of the rectangular box (that represent the basic setup of the models). This new insight in numerical modelling of subduction zones could help to have a more accurate comprehension on what is actually influencing subduction zones dynamics in order to successively explain what are the causes of this fundamental process and what are its implications on plate tectonics dynamics.

  8. Achieving accurate nuetron-multiplicity analysis of metals and oxides with weighted point model equations.

    SciTech Connect

    Burward-Hoy, J. M.; Geist, W. H.; Krick, M. S.; Mayo, D. R.

    2004-01-01

    Neutron multiplicity counting is a technique for the rapid, nondestructive measurement of plutonium mass in pure and impure materials. This technique is very powerful because it uses the measured coincidence count rates to determine the sample mass without requiring a set of representative standards for calibration. Interpreting measured singles, doubles, and triples count rates using the three-parameter standard point model accurately determines plutonium mass, neutron multiplication, and the ratio of ({alpha},n) to spontaneous-fission neutrons (alpha) for oxides of moderate mass. However, underlying standard point model assumptions - including constant neutron energy and constant multiplication throughout the sample - cause significant biases for the mass, multiplication, and alpha in measurements of metal and large, dense oxides.

  9. Accurate Cold-Test Model of Helical TWT Slow-Wave Circuits

    NASA Technical Reports Server (NTRS)

    Kory, Carol L.; Dayton, J. A., Jr.

    1998-01-01

    Recently, a method has been established to accurately calculate cold-test data for helical slow-wave structures using the three-dimensional (3-D) electromagnetic computer code, MAFIA. Cold-test parameters have been calculated for several helical traveling-wave tube (TWT) slow-wave circuits possessing various support rod configurations, and results are presented here showing excellent agreement with experiment. The helical models include tape thickness, dielectric support shapes and material properties consistent with the actual circuits. The cold-test data from this helical model can be used as input into large-signal helical TWT interaction codes making it possible, for the first time, to design a complete TWT via computer simulation.

  10. Accurate Cold-Test Model of Helical TWT Slow-Wave Circuits

    NASA Technical Reports Server (NTRS)

    Kory, Carol L.; Dayton, James A., Jr.

    1998-01-01

    Recently, a method has been established to accurately calculate cold-test data for helical slow-wave structures using the three-dimensional (3-D) electromagnetic computer code, MAxwell's equations by the Finite Integration Algorithm (MAFIA). Cold-test parameters have been calculated for several helical traveLing-wave tube (TWT) slow-wave circuits possessing various support rod configurations, and results are presented here showing excellent agreement with experiment. The helical models include tape thickness, dielectric support shapes and material properties consistent with the actual circuits. The cold-test data from this helical model can be used as input into large-signal helical TWT interaction codes making It possible, for the first time, to design complete TWT via computer simulation.

  11. Accurate Cold-Test Model of Helical TWT Slow-Wave Circuits

    NASA Technical Reports Server (NTRS)

    Kory, Carol L.; Dayton, James A., Jr.

    1997-01-01

    Recently, a method has been established to accurately calculate cold-test data for helical slow-wave structures using the three-dimensional electromagnetic computer code, MAFIA. Cold-test parameters have been calculated for several helical traveling-wave tube (TWT) slow-wave circuits possessing various support rod configurations, and results are presented here showing excellent agreement with experiment. The helical models include tape thickness, dielectric support shapes and material properties consistent with the actual circuits. The cold-test data from this helical model can be used as input into large-signal helical TWT interaction codes making it possible, for the first time, to design a complete TWT via computer simulation.

  12. Fast and accurate global multiphase arrival tracking: the irregular shortest-path method in a 3-D spherical earth model

    NASA Astrophysics Data System (ADS)

    Huang, Guo-Jiao; Bai, Chao-Ying; Greenhalgh, Stewart

    2013-09-01

    The traditional grid/cell-based wavefront expansion algorithms, such as the shortest path algorithm, can only find the first arrivals or multiply reflected (or mode converted) waves transmitted from subsurface interfaces, but cannot calculate the other later reflections/conversions having a minimax time path. In order to overcome the above limitations, we introduce the concept of a stationary minimax time path of Fermat's Principle into the multistage irregular shortest path method. Here we extend it from Cartesian coordinates for a flat earth model to global ray tracing of multiple phases in a 3-D complex spherical earth model. The ray tracing results for 49 different kinds of crustal, mantle and core phases show that the maximum absolute traveltime error is less than 0.12 s and the average absolute traveltime error is within 0.09 s when compared with the AK135 theoretical traveltime tables for a 1-D reference model. Numerical tests in terms of computational accuracy and CPU time consumption indicate that the new scheme is an accurate, efficient and a practical way to perform 3-D multiphase arrival tracking in regional or global traveltime tomography.

  13. Construction of feasible and accurate kinetic models of metabolism: A Bayesian approach

    PubMed Central

    Saa, Pedro A.; Nielsen, Lars K.

    2016-01-01

    Kinetic models are essential to quantitatively understand and predict the behaviour of metabolic networks. Detailed and thermodynamically feasible kinetic models of metabolism are inherently difficult to formulate and fit. They have a large number of heterogeneous parameters, are non-linear and have complex interactions. Many powerful fitting strategies are ruled out by the intractability of the likelihood function. Here, we have developed a computational framework capable of fitting feasible and accurate kinetic models using Approximate Bayesian Computation. This framework readily supports advanced modelling features such as model selection and model-based experimental design. We illustrate this approach on the tightly-regulated mammalian methionine cycle. Sampling from the posterior distribution, the proposed framework generated thermodynamically feasible parameter samples that converged on the true values, and displayed remarkable prediction accuracy in several validation tests. Furthermore, a posteriori analysis of the parameter distributions enabled appraisal of the systems properties of the network (e.g., control structure) and key metabolic regulations. Finally, the framework was used to predict missing allosteric interactions. PMID:27417285

  14. An Accurate Model for Biomolecular Helices and Its Application to Helix Visualization

    PubMed Central

    Wang, Lincong; Qiao, Hui; Cao, Chen; Xu, Shutan; Zou, Shuxue

    2015-01-01

    Helices are the most abundant secondary structural elements in proteins and the structural forms assumed by double stranded DNAs (dsDNA). Though the mathematical expression for a helical curve is simple, none of the previous models for the biomolecular helices in either proteins or DNAs use a genuine helical curve, likely because of the complexity of fitting backbone atoms to helical curves. In this paper we model a helix as a series of different but all bona fide helical curves; each one best fits the coordinates of four consecutive backbone Cα atoms for a protein or P atoms for a DNA molecule. An implementation of the model demonstrates that it is more accurate than the previous ones for the description of the deviation of a helix from a standard helical curve. Furthermore, the accuracy of the model makes it possible to correlate deviations with structural and functional significance. When applied to helix visualization, the ribbon diagrams generated by the model are less choppy or have smaller side chain detachment than those by the previous visualization programs that typically model a helix as a series of low-degree splines. PMID:26126117

  15. Numerical Models of Broad Bandwidth Nanosecond Optical Parametric Oscillators

    SciTech Connect

    Bowers, M.S.; Gehr, R.J.; Smith, A.V.

    1998-10-14

    We describe results from three new methods of numerically modeling broad-bandwidth, nanosecond OPO's in the plane-wave approximate ion. They account for differences in group velocities among the three mixing waves, and also include a qutt~ttun noise model.

  16. A survey of numerical models for wind prediction

    NASA Technical Reports Server (NTRS)

    Schonfeld, D.

    1980-01-01

    A literature review is presented of the work done in the numerical modeling of wind flows. Pertinent computational techniques are described, as well as the necessary assumptions used to simplify the governing equations. A steady state model is outlined, based on the data obtained at the Deep Space Communications complex at Goldstone, California.

  17. Experimental, numerical and analytical models of mantle starting plumes

    NASA Astrophysics Data System (ADS)

    Coulliette, D. L.; Loper, D. E.

    1995-12-01

    The results of a combined experimental, numerical and analytical investigation of starting thermal plumes are described, to obtain a better perspective on plumes within the Earth's mantle. Thermal plumes were generated experimentally in a tank of corn syrup by means of an electrical heater. Viscosity ratios of 400, 30 000, and 10 8 were generated by varying the temperature of the tank. Plumes for the smaller ratios had the traditional 'balloon-on-astring' shape, but that at the highest ratio had a novel morphology. The plume heads in the first two cases were observed to rise at roughly a constant speed, in contrast to most previous studies which found the plume heads to accelerate. Loss of buoyancy from the plume head owing to heat loss is believed to be responsible for this difference. Starting plumes were simulated numerically using an axisymmetric, finite-element code to solve the Boussinesq equations at finite Prandtl numbers. The constant rise speed observed experimentally was confirmed by the numerical simulation for the viscosity ratios of 400 and 30 000, but numerical instability prevented simulation of the case with a viscosity ratio of 10 8. There was very good agreement between the experimental and numerical rise speeds. An analytical model was developed which reduces to previous models in limiting cases. This parameterization gives better agreement with the experimental and numerical results than does any previous model.

  18. Fast and Accurate Radiative Transfer Calculations Using Principal Component Analysis for Climate Modeling

    NASA Astrophysics Data System (ADS)

    Kopparla, P.; Natraj, V.; Spurr, R. J. D.; Shia, R. L.; Yung, Y. L.

    2014-12-01

    Radiative transfer (RT) computations are an essential component of energy budget calculations in climate models. However, full treatment of RT processes is computationally expensive, prompting usage of 2-stream approximations in operational climate models. This simplification introduces errors of the order of 10% in the top of the atmosphere (TOA) fluxes [Randles et al., 2013]. Natraj et al. [2005, 2010] and Spurr and Natraj [2013] demonstrated the ability of a technique using principal component analysis (PCA) to speed up RT simulations. In the PCA method for RT performance enhancement, empirical orthogonal functions are developed for binned sets of inherent optical properties that possess some redundancy; costly multiple-scattering RT calculations are only done for those (few) optical states corresponding to the most important principal components, and correction factors are applied to approximate radiation fields. Here, we extend the PCA method to a broadband spectral region from the ultraviolet to the shortwave infrared (0.3-3 micron), accounting for major gas absorptions in this region. Comparisons between the new model, called Universal Principal Component Analysis model for Radiative Transfer (UPCART), 2-stream models (such as those used in climate applications) and line-by-line RT models are performed, in order for spectral radiances, spectral fluxes and broadband fluxes. Each of these are calculated at the TOA for several scenarios with varying aerosol types, extinction and scattering optical depth profiles, and solar and viewing geometries. We demonstrate that very accurate radiative forcing estimates can be obtained, with better than 1% accuracy in all spectral regions and better than 0.1% in most cases as compared to an exact line-by-line RT model. The model is comparable in speeds to 2-stream models, potentially rendering UPCART useful for operational General Circulation Models (GCMs). The operational speed and accuracy of UPCART can be further

  19. Accurate Time-Dependent Traveling-Wave Tube Model Developed for Computational Bit-Error-Rate Testing

    NASA Technical Reports Server (NTRS)

    Kory, Carol L.

    2001-01-01

    The phenomenal growth of the satellite communications industry has created a large demand for traveling-wave tubes (TWT's) operating with unprecedented specifications requiring the design and production of many novel devices in record time. To achieve this, the TWT industry heavily relies on computational modeling. However, the TWT industry's computational modeling capabilities need to be improved because there are often discrepancies between measured TWT data and that predicted by conventional two-dimensional helical TWT interaction codes. This limits the analysis and design of novel devices or TWT's with parameters differing from what is conventionally manufactured. In addition, the inaccuracy of current computational tools limits achievable TWT performance because optimized designs require highly accurate models. To address these concerns, a fully three-dimensional, time-dependent, helical TWT interaction model was developed using the electromagnetic particle-in-cell code MAFIA (Solution of MAxwell's equations by the Finite-Integration-Algorithm). The model includes a short section of helical slow-wave circuit with excitation fed by radiofrequency input/output couplers, and an electron beam contained by periodic permanent magnet focusing. A cutaway view of several turns of the three-dimensional helical slow-wave circuit with input/output couplers is shown. This has been shown to be more accurate than conventionally used two-dimensional models. The growth of the communications industry has also imposed a demand for increased data rates for the transmission of large volumes of data. To achieve increased data rates, complex modulation and multiple access techniques are employed requiring minimum distortion of the signal as it is passed through the TWT. Thus, intersymbol interference (ISI) becomes a major consideration, as well as suspected causes such as reflections within the TWT. To experimentally investigate effects of the physical TWT on ISI would be

  20. Development of a numerical simulation model of the cardiovascular system.

    PubMed

    Geertsema, A A; Rakhorst, G; Mihaylov, D; Blanksma, P K; Verkerke, G J

    1997-12-01

    A numerical simulation model of the cardiovascular system has been developed. It consists of a model of the left atrium, the left ventricle, the coronary vascular system, the aorta, the arterial system, and the venous system. The input of the complete model is the elastance (pressure/volume ratio) developed by the left ventricle. The shape of this elastance is constant in different circumstances. Left ventricular (LV) myocardial oxygen consumption and the amount of oxygen offered to the left ventricle can be calculated with the model. The model has been validated using data from a patient suffering from coronary artery disease. The measured clinical hemodynamical waveforms could be fitted to those generated by the model. With the numerical simulation model, it is possible to predict the functioning of the left ventricle under different circumstances. This makes it possible to study in vitro various pathological clinical situations. PMID:9423983

  1. Rapid installation of numerical models in multiple parent codes

    SciTech Connect

    Brannon, R.M.; Wong, M.K.

    1996-10-01

    A set of``model interface guidelines``, called MIG, is offered as a means to more rapidly install numerical models (such as stress-strain laws) into any parent code (hydrocode, finite element code, etc.) without having to modify the model subroutines. The model developer (who creates the model package in compliance with the guidelines) specifies the model`s input and storage requirements in a standardized way. For portability, database management (such as saving user inputs and field variables) is handled by the parent code. To date, NUG has proved viable in beta installations of several diverse models in vectorized and parallel codes written in different computer languages. A NUG-compliant model can be installed in different codes without modifying the model`s subroutines. By maintaining one model for many codes, MIG facilitates code-to-code comparisons and reduces duplication of effort potentially reducing the cost of installing and sharing models.

  2. Propagation of MHD disturbance in numerical modelling: Accuracy issues and condition

    NASA Astrophysics Data System (ADS)

    Kim, Kyung-Im; Lee, Dong-Hun; Jang, Jae-Jin; Kim, Jung-Hoon; Kim, Jaehun

    2016-07-01

    In space weather studies, MHD numerical models are often used to study time-dependent simulations over relatively long time period and large size space, which include many examples from the solar origin to the Earth impact in the heliosphere. There have been rising questions on whether many different numerical codes are consistent with each other and how we can confirm the validity of simulation results for a given event. In this study, we firstly introduce a class of exact analytic solutions of MHD when the boundary is driven by certain impulsive impacts. Secondly we test and compare MHD numerical models with the exact full MHD solution above to check whether the simulations are sufficiently accurate. Our results show 1) that numerical errors are very significant in the problems of MHD disturbance propagation in the interplanetary space, 2) that typical spatial and temporal resolutions, which are widely used in numerical modelling, are found to easily produce more than a few hours up to 10 hours in arrival timing at the near-Earth space, and 3) how we can avoid serious errors by optimizing the model parameters in advance via studying with an exact solution.

  3. Fitmunk: improving protein structures by accurate, automatic modeling of side-chain conformations.

    PubMed

    Porebski, Przemyslaw Jerzy; Cymborowski, Marcin; Pasenkiewicz-Gierula, Marta; Minor, Wladek

    2016-02-01

    Improvements in crystallographic hardware and software have allowed automated structure-solution pipelines to approach a near-`one-click' experience for the initial determination of macromolecular structures. However, in many cases the resulting initial model requires a laborious, iterative process of refinement and validation. A new method has been developed for the automatic modeling of side-chain conformations that takes advantage of rotamer-prediction methods in a crystallographic context. The algorithm, which is based on deterministic dead-end elimination (DEE) theory, uses new dense conformer libraries and a hybrid energy function derived from experimental data and prior information about rotamer frequencies to find the optimal conformation of each side chain. In contrast to existing methods, which incorporate the electron-density term into protein-modeling frameworks, the proposed algorithm is designed to take advantage of the highly discriminatory nature of electron-density maps. This method has been implemented in the program Fitmunk, which uses extensive conformational sampling. This improves the accuracy of the modeling and makes it a versatile tool for crystallographic model building, refinement and validation. Fitmunk was extensively tested on over 115 new structures, as well as a subset of 1100 structures from the PDB. It is demonstrated that the ability of Fitmunk to model more than 95% of side chains accurately is beneficial for improving the quality of crystallographic protein models, especially at medium and low resolutions. Fitmunk can be used for model validation of existing structures and as a tool to assess whether side chains are modeled optimally or could be better fitted into electron density. Fitmunk is available as a web service at http://kniahini.med.virginia.edu/fitmunk/server/ or at http://fitmunk.bitbucket.org/. PMID:26894674

  4. Are Quasi-Steady-State Approximated Models Suitable for Quantifying Intrinsic Noise Accurately?

    PubMed Central

    Sengupta, Dola; Kar, Sandip

    2015-01-01

    Large gene regulatory networks (GRN) are often modeled with quasi-steady-state approximation (QSSA) to reduce the huge computational time required for intrinsic noise quantification using Gillespie stochastic simulation algorithm (SSA). However, the question still remains whether the stochastic QSSA model measures the intrinsic noise as accurately as the SSA performed for a detailed mechanistic model or not? To address this issue, we have constructed mechanistic and QSSA models for few frequently observed GRNs exhibiting switching behavior and performed stochastic simulations with them. Our results strongly suggest that the performance of a stochastic QSSA model in comparison to SSA performed for a mechanistic model critically relies on the absolute values of the mRNA and protein half-lives involved in the corresponding GRN. The extent of accuracy level achieved by the stochastic QSSA model calculations will depend on the level of bursting frequency generated due to the absolute value of the half-life of either mRNA or protein or for both the species. For the GRNs considered, the stochastic QSSA quantifies the intrinsic noise at the protein level with greater accuracy and for larger combinations of half-life values of mRNA and protein, whereas in case of mRNA the satisfactory accuracy level can only be reached for limited combinations of absolute values of half-lives. Further, we have clearly demonstrated that the abundance levels of mRNA and protein hardly matter for such comparison between QSSA and mechanistic models. Based on our findings, we conclude that QSSA model can be a good choice for evaluating intrinsic noise for other GRNs as well, provided we make a rational choice based on experimental half-life values available in literature. PMID:26327626

  5. Fitmunk: improving protein structures by accurate, automatic modeling of side-chain conformations

    PubMed Central

    Porebski, Przemyslaw Jerzy; Cymborowski, Marcin; Pasenkiewicz-Gierula, Marta; Minor, Wladek

    2016-01-01

    Improvements in crystallographic hardware and software have allowed automated structure-solution pipelines to approach a near-‘one-click’ experience for the initial determination of macromolecular structures. However, in many cases the resulting initial model requires a laborious, iterative process of refinement and validation. A new method has been developed for the automatic modeling of side-chain conformations that takes advantage of rotamer-prediction methods in a crystallographic context. The algorithm, which is based on deterministic dead-end elimination (DEE) theory, uses new dense conformer libraries and a hybrid energy function derived from experimental data and prior information about rotamer frequencies to find the optimal conformation of each side chain. In contrast to existing methods, which incorporate the electron-density term into protein-modeling frameworks, the proposed algorithm is designed to take advantage of the highly discriminatory nature of electron-density maps. This method has been implemented in the program Fitmunk, which uses extensive conformational sampling. This improves the accuracy of the modeling and makes it a versatile tool for crystallographic model building, refinement and validation. Fitmunk was extensively tested on over 115 new structures, as well as a subset of 1100 structures from the PDB. It is demonstrated that the ability of Fitmunk to model more than 95% of side chains accurately is beneficial for improving the quality of crystallographic protein models, especially at medium and low resolutions. Fitmunk can be used for model validation of existing structures and as a tool to assess whether side chains are modeled optimally or could be better fitted into electron density. Fitmunk is available as a web service at http://kniahini.med.virginia.edu/fitmunk/server/ or at http://fitmunk.bitbucket.org/. PMID:26894674

  6. Ensemble-type numerical uncertainty information from single model integrations

    SciTech Connect

    Rauser, Florian Marotzke, Jochem; Korn, Peter

    2015-07-01

    We suggest an algorithm that quantifies the discretization error of time-dependent physical quantities of interest (goals) for numerical models of geophysical fluid dynamics. The goal discretization error is estimated using a sum of weighted local discretization errors. The key feature of our algorithm is that these local discretization errors are interpreted as realizations of a random process. The random process is determined by the model and the flow state. From a class of local error random processes we select a suitable specific random process by integrating the model over a short time interval at different resolutions. The weights of the influences of the local discretization errors on the goal are modeled as goal sensitivities, which are calculated via automatic differentiation. The integration of the weighted realizations of local error random processes yields a posterior ensemble of goal approximations from a single run of the numerical model. From the posterior ensemble we derive the uncertainty information of the goal discretization error. This algorithm bypasses the requirement of detailed knowledge about the models discretization to generate numerical error estimates. The algorithm is evaluated for the spherical shallow-water equations. For two standard test cases we successfully estimate the error of regional potential energy, track its evolution, and compare it to standard ensemble techniques. The posterior ensemble shares linear-error-growth properties with ensembles of multiple model integrations when comparably perturbed. The posterior ensemble numerical error estimates are of comparable size as those of a stochastic physics ensemble.

  7. Continuum descriptions of membranes and their interaction with proteins: Towards chemically accurate models.

    PubMed

    Argudo, David; Bethel, Neville P; Marcoline, Frank V; Grabe, Michael

    2016-07-01

    Biological membranes deform in response to resident proteins leading to a coupling between membrane shape and protein localization. Additionally, the membrane influences the function of membrane proteins. Here we review contributions to this field from continuum elastic membrane models focusing on the class of models that couple the protein to the membrane. While it has been argued that continuum models cannot reproduce the distortions observed in fully-atomistic molecular dynamics simulations, we suggest that this failure can be overcome by using chemically accurate representations of the protein. We outline our recent advances along these lines with our hybrid continuum-atomistic model, and we show the model is in excellent agreement with fully-atomistic simulations of the nhTMEM16 lipid scramblase. We believe that the speed and accuracy of continuum-atomistic methodologies will make it possible to simulate large scale, slow biological processes, such as membrane morphological changes, that are currently beyond the scope of other computational approaches. This article is part of a Special Issue entitled: Membrane Proteins edited by J.C. Gumbart and Sergei Noskov. PMID:26853937

  8. A Simple and Accurate Model to Predict Responses to Multi-electrode Stimulation in the Retina

    PubMed Central

    Maturana, Matias I.; Apollo, Nicholas V.; Hadjinicolaou, Alex E.; Garrett, David J.; Cloherty, Shaun L.; Kameneva, Tatiana; Grayden, David B.; Ibbotson, Michael R.; Meffin, Hamish

    2016-01-01

    Implantable electrode arrays are widely used in therapeutic stimulation of the nervous system (e.g. cochlear, retinal, and cortical implants). Currently, most neural prostheses use serial stimulation (i.e. one electrode at a time) despite this severely limiting the repertoire of stimuli that can be applied. Methods to reliably predict the outcome of multi-electrode stimulation have not been available. Here, we demonstrate that a linear-nonlinear model accurately predicts neural responses to arbitrary patterns of stimulation using in vitro recordings from single retinal ganglion cells (RGCs) stimulated with a subretinal multi-electrode array. In the model, the stimulus is projected onto a low-dimensional subspace and then undergoes a nonlinear transformation to produce an estimate of spiking probability. The low-dimensional subspace is estimated using principal components analysis, which gives the neuron’s electrical receptive field (ERF), i.e. the electrodes to which the neuron is most sensitive. Our model suggests that stimulation proportional to the ERF yields a higher efficacy given a fixed amount of power when compared to equal amplitude stimulation on up to three electrodes. We find that the model captures the responses of all the cells recorded in the study, suggesting that it will generalize to most cell types in the retina. The model is computationally efficient to evaluate and, therefore, appropriate for future real-time applications including stimulation strategies that make use of recorded neural activity to improve the stimulation strategy. PMID:27035143

  9. A Simple and Accurate Model to Predict Responses to Multi-electrode Stimulation in the Retina.

    PubMed

    Maturana, Matias I; Apollo, Nicholas V; Hadjinicolaou, Alex E; Garrett, David J; Cloherty, Shaun L; Kameneva, Tatiana; Grayden, David B; Ibbotson, Michael R; Meffin, Hamish

    2016-04-01

    Implantable electrode arrays are widely used in therapeutic stimulation of the nervous system (e.g. cochlear, retinal, and cortical implants). Currently, most neural prostheses use serial stimulation (i.e. one electrode at a time) despite this severely limiting the repertoire of stimuli that can be applied. Methods to reliably predict the outcome of multi-electrode stimulation have not been available. Here, we demonstrate that a linear-nonlinear model accurately predicts neural responses to arbitrary patterns of stimulation using in vitro recordings from single retinal ganglion cells (RGCs) stimulated with a subretinal multi-electrode array. In the model, the stimulus is projected onto a low-dimensional subspace and then undergoes a nonlinear transformation to produce an estimate of spiking probability. The low-dimensional subspace is estimated using principal components analysis, which gives the neuron's electrical receptive field (ERF), i.e. the electrodes to which the neuron is most sensitive. Our model suggests that stimulation proportional to the ERF yields a higher efficacy given a fixed amount of power when compared to equal amplitude stimulation on up to three electrodes. We find that the model captures the responses of all the cells recorded in the study, suggesting that it will generalize to most cell types in the retina. The model is computationally efficient to evaluate and, therefore, appropriate for future real-time applications including stimulation strategies that make use of recorded neural activity to improve the stimulation strategy. PMID:27035143

  10. Numerical forecasting of radiation fog. Part I: Numerical model and sensitivity tests

    SciTech Connect

    Bergot, T.; Guedalia, D. )

    1994-06-01

    To improve the forecast of dense radiative fogs, a method has been developed using a one-dimensional model of the nocturnal boundary layer forced by the mesoscale fields provided by a 3D limited-area operational model. The 1D model involves a treatment of soil-atmosphere exchanges and a parameterization of turbulence in stable layers in order to correctly simulate the nocturnal atmospheric cooling. Various sensitivity tests have been carried out to evaluate the influence of the main input parameters of the model (geostrophic wind, horizontal advections, cloud cover, soil moisture, etc.) on the predicted fog characteristics. The principal result concerns the difficulty of obtaining accurate forecasts in the case of fog appearing in the middle or at the end of the night, when the local atmospheric cooling is weak. 33 refs., 13 figs.

  11. A general numerical model for wave rotor analysis

    NASA Technical Reports Server (NTRS)

    Paxson, Daniel W.

    1992-01-01

    Wave rotors represent one of the promising technologies for achieving very high core temperatures and pressures in future gas turbine engines. Their operation depends upon unsteady gas dynamics and as such, their analysis is quite difficult. This report describes a numerical model which has been developed to perform such an analysis. Following a brief introduction, a summary of the wave rotor concept is given. The governing equations are then presented, along with a summary of the assumptions used to obtain them. Next, the numerical integration technique is described. This is an explicit finite volume technique based on the method of Roe. The discussion then focuses on the implementation of appropriate boundary conditions. Following this, some results are presented which first compare the numerical approximation to the governing differential equations and then compare the overall model to an actual wave rotor experiment. Finally, some concluding remarks are presented concerning the limitations of the simplifying assumptions and areas where the model may be improved.

  12. A computationally efficient and accurate numerical representation of thermodynamic properties of steam and water for computations of non-equilibrium condensing steam flow in steam turbines

    NASA Astrophysics Data System (ADS)

    Hrubý, Jan

    2012-04-01

    Mathematical modeling of the non-equilibrium condensing transonic steam flow in the complex 3D geometry of a steam turbine is a demanding problem both concerning the physical concepts and the required computational power. Available accurate formulations of steam properties IAPWS-95 and IAPWS-IF97 require much computation time. For this reason, the modelers often accept the unrealistic ideal-gas behavior. Here we present a computation scheme based on a piecewise, thermodynamically consistent representation of the IAPWS-95 formulation. Density and internal energy are chosen as independent variables to avoid variable transformations and iterations. On the contrary to the previous Tabular Taylor Series Expansion Method, the pressure and temperature are continuous functions of the independent variables, which is a desirable property for the solution of the differential equations of the mass, energy, and momentum conservation for both phases.

  13. Towards more accurate isoscapes encouraging results from wine, water and marijuana data/model and model/model comparisons.

    NASA Astrophysics Data System (ADS)

    West, J. B.; Ehleringer, J. R.; Cerling, T.

    2006-12-01

    Understanding how the biosphere responds to change it at the heart of biogeochemistry, ecology, and other Earth sciences. The dramatic increase in human population and technological capacity over the past 200 years or so has resulted in numerous, simultaneous changes to biosphere structure and function. This, then, has lead to increased urgency in the scientific community to try to understand how systems have already responded to these changes, and how they might do so in the future. Since all biospheric processes exhibit some patchiness or patterns over space, as well as time, we believe that understanding the dynamic interactions between natural systems and human technological manipulations can be improved if these systems are studied in an explicitly spatial context. We present here results of some of our efforts to model the spatial variation in the stable isotope ratios (δ2H and δ18O) of plants over large spatial extents, and how these spatial model predictions compare to spatially explicit data. Stable isotopes trace and record ecological processes and as such, if modeled correctly over Earth's surface allow us insights into changes in biosphere states and processes across spatial scales. The data-model comparisons show good agreement, in spite of the remaining uncertainties (e.g., plant source water isotopic composition). For example, inter-annual changes in climate are recorded in wine stable isotope ratios. Also, a much simpler model of leaf water enrichment driven with spatially continuous global rasters of precipitation and climate normals largely agrees with complex GCM modeling that includes leaf water δ18O. Our results suggest that modeling plant stable isotope ratios across large spatial extents may be done with reasonable accuracy, including over time. These spatial maps, or isoscapes, can now be utilized to help understand spatially distributed data, as well as to help guide future studies designed to understand ecological change across

  14. Development and application of accurate analytical models for single active electron potentials

    NASA Astrophysics Data System (ADS)

    Miller, Michelle; Jaron-Becker, Agnieszka; Becker, Andreas

    2015-05-01

    The single active electron (SAE) approximation is a theoretical model frequently employed to study scenarios in which inner-shell electrons may productively be treated as frozen spectators to a physical process of interest, and accurate analytical approximations for these potentials are sought as a useful simulation tool. Density function theory is often used to construct a SAE potential, requiring that a further approximation for the exchange correlation functional be enacted. In this study, we employ the Krieger, Li, and Iafrate (KLI) modification to the optimized-effective-potential (OEP) method to reduce the complexity of the problem to the straightforward solution of a system of linear equations through simple arguments regarding the behavior of the exchange-correlation potential in regions where a single orbital dominates. We employ this method for the solution of atomic and molecular potentials, and use the resultant curve to devise a systematic construction for highly accurate and useful analytical approximations for several systems. Supported by the U.S. Department of Energy (Grant No. DE-FG02-09ER16103), and the U.S. National Science Foundation (Graduate Research Fellowship, Grants No. PHY-1125844 and No. PHY-1068706).

  15. Numerical modeling of an enhanced very early time electromagnetic (VETEM) prototype system

    USGS Publications Warehouse

    Cui, T.J.; Chew, W.C.; Aydiner, A.A.; Wright, D.L.; Smith, D.V.; Abraham, J.D.

    2000-01-01

    In this paper, two numerical models are presented to simulate an enhanced very early time electromagnetic (VETEM) prototype system, which is used for buried-object detection and environmental problems. Usually, the VETEM system contains a transmitting loop antenna and a receiving loop antenna, which run on a lossy ground to detect buried objects. In the first numerical model, the loop antennas are accurately analyzed using the Method of Moments (MoM) for wire antennas above or buried in lossy ground. Then, Conjugate Gradient (CG) methods, with the use of the fast Fourier transform (FFT) or MoM, are applied to investigate the scattering from buried objects. Reflected and scattered magnetic fields are evaluated at the receiving loop to calculate the output electric current. However, the working frequency for the VETEM system is usually low and, hence, two magnetic dipoles are used to replace the transmitter and receiver in the second numerical model. Comparing these two models, the second one is simple, but only valid for low frequency or small loops, while the first modeling is more general. In this paper, all computations are performed in the frequency domain, and the FFT is used to obtain the time-domain responses. Numerical examples show that simulation results from these two models fit very well when the frequency ranges from 10 kHz to 10 MHz, and both results are close to the measured data.

  16. Numerical models of laser fusion of intestinal tissues.

    PubMed

    Pearce, John A

    2009-01-01

    Numerical models of continuous wave Tm:YAG thermal fusion in rat intestinal tissues were compared to experiment. Optical and thermal FDM models that included tissue damage based on Arrhenius kinetics were used to predict birefringence loss in collagen as the standard of comparison. The models also predicted collagen shrinkage, jellification and water loss. The inclusion of variable optical and thermal properties is essential to achieve favorable agreement between predicted and measured damage boundaries. PMID:19964349

  17. Numerical models for the evaluation of geothermal systems

    SciTech Connect

    Bodvarsson, G.S.; Pruess, K.; Lippmann, M.J.

    1986-08-01

    We have carried out detailed simulations of various fields in the USA (Bada, New Mexico; Heber, California); Mexico (Cerro Prieto); Iceland (Krafla); and Kenya (Olkaria). These simulation studies have illustrated the usefulness of numerical models for the overall evaluation of geothermal systems. The methodology for modeling the behavior of geothermal systems, different approaches to geothermal reservoir modeling and how they can be applied in comprehensive evaluation work are discussed.

  18. Improving the performance of mass-consistent numerical models using optimization techniques

    SciTech Connect

    Barnard, J.C.; Wegley, H.L.; Hiester, T.R.

    1985-09-01

    This report describes a technique of using a mass-consistent model to derive wind speeds over a microscale region of complex terrain. A serious limitation in the use of these numerical models is that the calculated wind field is highly sensitive to some input parameters, such as those specifying atmospheric stability. Because accurate values for these parameters are not usually known, confidence in the calculated winds is low. However, values for these parameters can be found by tuning the model to existing wind observations within a microscale area. This tuning is accomplished by using a single-variable, unconstrained optimization procedure that adjusts the unknown parameters so that the error between the observed winds and model calculations of these winds is minimized. Model verification is accomplished by using eight sets of hourly averaged wind data. These data are obtained from measurements made at approximately 30 sites covering a wind farm development in the Altamont Pass area. When the model is tuned to a small subset of the 30 sites, an accurate determination of the wind speeds was made for the remaining sites in six of the eight cases. (The two that failed were low wind speed cases.) Therefore, when this technique is used, numerical modeling shows great promise as a tool for microscale siting of wind turbines in complex terrain.

  19. Error-analysis and comparison to analytical models of numerical waveforms produced by the NRAR Collaboration

    NASA Astrophysics Data System (ADS)

    Hinder, Ian; Buonanno, Alessandra; Boyle, Michael; Etienne, Zachariah B.; Healy, James; Johnson-McDaniel, Nathan K.; Nagar, Alessandro; Nakano, Hiroyuki; Pan, Yi; Pfeiffer, Harald P.; Pürrer, Michael; Reisswig, Christian; Scheel, Mark A.; Schnetter, Erik; Sperhake, Ulrich; Szilágyi, Bela; Tichy, Wolfgang; Wardell, Barry; Zenginoğlu, Anıl; Alic, Daniela; Bernuzzi, Sebastiano; Bode, Tanja; Brügmann, Bernd; Buchman, Luisa T.; Campanelli, Manuela; Chu, Tony; Damour, Thibault; Grigsby, Jason D.; Hannam, Mark; Haas, Roland; Hemberger, Daniel A.; Husa, Sascha; Kidder, Lawrence E.; Laguna, Pablo; London, Lionel; Lovelace, Geoffrey; Lousto, Carlos O.; Marronetti, Pedro; Matzner, Richard A.; Mösta, Philipp; Mroué, Abdul; Müller, Doreen; Mundim, Bruno C.; Nerozzi, Andrea; Paschalidis, Vasileios; Pollney, Denis; Reifenberger, George; Rezzolla, Luciano; Shapiro, Stuart L.; Shoemaker, Deirdre; Taracchini, Andrea; Taylor, Nicholas W.; Teukolsky, Saul A.; Thierfelder, Marcus; Witek, Helvi; Zlochower, Yosef

    2013-01-01

    The Numerical-Relativity-Analytical-Relativity (NRAR) collaboration is a joint effort between members of the numerical relativity, analytical relativity and gravitational-wave data analysis communities. The goal of the NRAR collaboration is to produce numerical-relativity simulations of compact binaries and use them to develop accurate analytical templates for the LIGO/Virgo Collaboration to use in detecting gravitational-wave signals and extracting astrophysical information from them. We describe the results of the first stage of the NRAR project, which focused on producing an initial set of numerical waveforms from binary black holes with moderate mass ratios and spins, as well as one non-spinning binary configuration which has a mass ratio of 10. All of the numerical waveforms are analysed in a uniform and consistent manner, with numerical errors evaluated using an analysis code created by members of the NRAR collaboration. We compare previously-calibrated, non-precessing analytical waveforms, notably the effective-one-body (EOB) and phenomenological template families, to the newly-produced numerical waveforms. We find that when the binary's total mass is ˜100-200M⊙, current EOB and phenomenological models of spinning, non-precessing binary waveforms have overlaps above 99% (for advanced LIGO) with all of the non-precessing-binary numerical waveforms with mass ratios ⩽4, when maximizing over binary parameters. This implies that the loss of event rate due to modelling error is below 3%. Moreover, the non-spinning EOB waveforms previously calibrated to five non-spinning waveforms with mass ratio smaller than 6 have overlaps above 99.7% with the numerical waveform with a mass ratio of 10, without even maximizing on the binary parameters.

  20. Numerical modeling of runback water on ice protected aircraft surfaces

    NASA Technical Reports Server (NTRS)

    Al-Khalil, Kamel M.; Keith, Theo G., Jr.; Dewitt, Kenneth J.

    1992-01-01

    A numerical simulation for 'running wet' aircraft anti-icing systems is developed. The model includes breakup of the water film, which exists in regions of direct impingement, into individual rivulets. The wetness factor distribution resulting from the film breakup and the rivulet configuration on the surface are predicted in the numerical solution procedure. The solid wall is modeled as a multilayer structure and the anti-icing system used is of the thermal type utilizing hot air and/or electrical heating elements embedded with the layers. Details of the calculation procedure and the methods used are presented.

  1. Do Ecological Niche Models Accurately Identify Climatic Determinants of Species Ranges?

    PubMed

    Searcy, Christopher A; Shaffer, H Bradley

    2016-04-01

    Defining species' niches is central to understanding their distributions and is thus fundamental to basic ecology and climate change projections. Ecological niche models (ENMs) are a key component of making accurate projections and include descriptions of the niche in terms of both response curves and rankings of variable importance. In this study, we evaluate Maxent's ranking of environmental variables based on their importance in delimiting species' range boundaries by asking whether these same variables also govern annual recruitment based on long-term demographic studies. We found that Maxent-based assessments of variable importance in setting range boundaries in the California tiger salamander (Ambystoma californiense; CTS) correlate very well with how important those variables are in governing ongoing recruitment of CTS at the population level. This strong correlation suggests that Maxent's ranking of variable importance captures biologically realistic assessments of factors governing population persistence. However, this result holds only when Maxent models are built using best-practice procedures and variables are ranked based on permutation importance. Our study highlights the need for building high-quality niche models and provides encouraging evidence that when such models are built, they can reflect important aspects of a species' ecology. PMID:27028071

  2. Accurate integral equation theory for the central force model of liquid water and ionic solutions

    NASA Astrophysics Data System (ADS)

    Ichiye, Toshiko; Haymet, A. D. J.

    1988-10-01

    The atom-atom pair correlation functions and thermodynamics of the central force model of water, introduced by Lemberg, Stillinger, and Rahman, have been calculated accurately by an integral equation method which incorporates two new developments. First, a rapid new scheme has been used to solve the Ornstein-Zernike equation. This scheme combines the renormalization methods of Allnatt, and Rossky and Friedman with an extension of the trigonometric basis-set solution of Labik and co-workers. Second, by adding approximate ``bridge'' functions to the hypernetted-chain (HNC) integral equation, we have obtained predictions for liquid water in which the hydrogen bond length and number are in good agreement with ``exact'' computer simulations of the same model force laws. In addition, for dilute ionic solutions, the ion-oxygen and ion-hydrogen coordination numbers display both the physically correct stoichiometry and good agreement with earlier simulations. These results represent a measurable improvement over both a previous HNC solution of the central force model and the ex-RISM integral equation solutions for the TIPS and other rigid molecule models of water.

  3. Efficient and Accurate Explicit Integration Algorithms with Application to Viscoplastic Models

    NASA Technical Reports Server (NTRS)

    Arya, Vinod K.

    1994-01-01

    Several explicit integration algorithms with self-adative time integration strategies are developed and investigated for efficiency and accuracy. These algorithms involve the Runge-Kutta second order, the lower Runge-Kutta method of orders one and two, and the exponential integration method. The algorithms are applied to viscoplastic models put forth by Freed and Verrilli and Bodner and Partom for thermal/mechanical loadings (including tensile, relaxation, and cyclic loadings). The large amount of computations performed showed that, for comparable accuracy, the efficiency of an integration algorithm depends significantly on the type of application (loading). However, in general, for the aforementioned loadings and viscoplastic models, the exponential integration algorithm with the proposed self-adaptive time integration strategy worked more (or comparably) efficiently and accurately than the other integration algorithms. Using this strategy for integrating viscoplastic models may lead to considerable savings in computer time (better efficiency) without adversely affecting the accuracy of the results. This conclusion should encourage the utilization of viscoplastic models in the stress analysis and design of structural components.

  4. Modeling methodology for the accurate and prompt prediction of symptomatic events in chronic diseases.

    PubMed

    Pagán, Josué; Risco-Martín, José L; Moya, José M; Ayala, José L

    2016-08-01

    Prediction of symptomatic crises in chronic diseases allows to take decisions before the symptoms occur, such as the intake of drugs to avoid the symptoms or the activation of medical alarms. The prediction horizon is in this case an important parameter in order to fulfill the pharmacokinetics of medications, or the time response of medical services. This paper presents a study about the prediction limits of a chronic disease with symptomatic crises: the migraine. For that purpose, this work develops a methodology to build predictive migraine models and to improve these predictions beyond the limits of the initial models. The maximum prediction horizon is analyzed, and its dependency on the selected features is studied. A strategy for model selection is proposed to tackle the trade off between conservative but robust predictive models, with respect to less accurate predictions with higher horizons. The obtained results show a prediction horizon close to 40min, which is in the time range of the drug pharmacokinetics. Experiments have been performed in a realistic scenario where input data have been acquired in an ambulatory clinical study by the deployment of a non-intrusive Wireless Body Sensor Network. Our results provide an effective methodology for the selection of the future horizon in the development of prediction algorithms for diseases experiencing symptomatic crises. PMID:27260782

  5. An accurate two-phase approximate solution to the acute viral infection model

    SciTech Connect

    Perelson, Alan S

    2009-01-01

    During an acute viral infection, virus levels rise, reach a peak and then decline. Data and numerical solutions suggest the growth and decay phases are linear on a log scale. While viral dynamic models are typically nonlinear with analytical solutions difficult to obtain, the exponential nature of the solutions suggests approximations can be found. We derive a two-phase approximate solution to the target cell limited influenza model and illustrate the accuracy using data and previously established parameter values of six patients infected with influenza A. For one patient, the subsequent fall in virus concentration was not consistent with our predictions during the decay phase and an alternate approximation is derived. We find expressions for the rate and length of initial viral growth in terms of the parameters, the extent each parameter is involved in viral peaks, and the single parameter responsible for virus decay. We discuss applications of this analysis in antiviral treatments and investigating host and virus heterogeneities.

  6. An accurate locally active memristor model for S-type negative differential resistance in NbOx

    NASA Astrophysics Data System (ADS)

    Gibson, Gary A.; Musunuru, Srinitya; Zhang, Jiaming; Vandenberghe, Ken; Lee, James; Hsieh, Cheng-Chih; Jackson, Warren; Jeon, Yoocharn; Henze, Dick; Li, Zhiyong; Stanley Williams, R.

    2016-01-01

    A number of important commercial applications would benefit from the introduction of easily manufactured devices that exhibit current-controlled, or "S-type," negative differential resistance (NDR). A leading example is emerging non-volatile memory based on crossbar array architectures. Due to the inherently linear current vs. voltage characteristics of candidate non-volatile memristor memory elements, individual memory cells in these crossbar arrays can be addressed only if a highly non-linear circuit element, termed a "selector," is incorporated in the cell. Selectors based on a layer of niobium oxide sandwiched between two electrodes have been investigated by a number of groups because the NDR they exhibit provides a promisingly large non-linearity. We have developed a highly accurate compact dynamical model for their electrical conduction that shows that the NDR in these devices results from a thermal feedback mechanism. A series of electrothermal measurements and numerical simulations corroborate this model. These results reveal that the leakage currents can be minimized by thermally isolating the selector or by incorporating materials with larger activation energies for electron motion.

  7. A General Pairwise Interaction Model Provides an Accurate Description of In Vivo Transcription Factor Binding Sites

    PubMed Central

    Santolini, Marc; Mora, Thierry; Hakim, Vincent

    2014-01-01

    The identification of transcription factor binding sites (TFBSs) on genomic DNA is of crucial importance for understanding and predicting regulatory elements in gene networks. TFBS motifs are commonly described by Position Weight Matrices (PWMs), in which each DNA base pair contributes independently to the transcription factor (TF) binding. However, this description ignores correlations between nucleotides at different positions, and is generally inaccurate: analysing fly and mouse in vivo ChIPseq data, we show that in most cases the PWM model fails to reproduce the observed statistics of TFBSs. To overcome this issue, we introduce the pairwise interaction model (PIM), a generalization of the PWM model. The model is based on the principle of maximum entropy and explicitly describes pairwise correlations between nucleotides at different positions, while being otherwise as unconstrained as possible. It is mathematically equivalent to considering a TF-DNA binding energy that depends additively on each nucleotide identity at all positions in the TFBS, like the PWM model, but also additively on pairs of nucleotides. We find that the PIM significantly improves over the PWM model, and even provides an optimal description of TFBS statistics within statistical noise. The PIM generalizes previous approaches to interdependent positions: it accounts for co-variation of two or more base pairs, and predicts secondary motifs, while outperforming multiple-motif models consisting of mixtures of PWMs. We analyse the structure of pairwise interactions between nucleotides, and find that they are sparse and dominantly located between consecutive base pairs in the flanking region of TFBS. Nonetheless, interactions between pairs of non-consecutive nucleotides are found to play a significant role in the obtained accurate description of TFBS statistics. The PIM is computationally tractable, and provides a general framework that should be useful for describing and predicting TFBSs beyond

  8. Application of thin plate splines for accurate regional ionosphere modeling with multi-GNSS data

    NASA Astrophysics Data System (ADS)

    Krypiak-Gregorczyk, Anna; Wielgosz, Pawel; Borkowski, Andrzej

    2016-04-01

    GNSS-derived regional ionosphere models are widely used in both precise positioning, ionosphere and space weather studies. However, their accuracy is often not sufficient to support precise positioning, RTK in particular. In this paper, we presented new approach that uses solely carrier phase multi-GNSS observables and thin plate splines (TPS) for accurate ionospheric TEC modeling. TPS is a closed solution of a variational problem minimizing both the sum of squared second derivatives of a smoothing function and the deviation between data points and this function. This approach is used in UWM-rt1 regional ionosphere model developed at UWM in Olsztyn. The model allows for providing ionospheric TEC maps with high spatial and temporal resolutions - 0.2x0.2 degrees and 2.5 minutes, respectively. For TEC estimation, EPN and EUPOS reference station data is used. The maps are available with delay of 15-60 minutes. In this paper we compare the performance of UWM-rt1 model with IGS global and CODE regional ionosphere maps during ionospheric storm that took place on March 17th, 2015. During this storm, the TEC level over Europe doubled comparing to earlier quiet days. The performance of the UWM-rt1 model was validated by (a) comparison to reference double-differenced ionospheric corrections over selected baselines, and (b) analysis of post-fit residuals to calibrated carrier phase geometry-free observational arcs at selected test stations. The results show a very good performance of UWM-rt1 model. The obtained post-fit residuals in case of UWM maps are lower by one order of magnitude comparing to IGS maps. The accuracy of UWM-rt1 -derived TEC maps is estimated at 0.5 TECU. This may be directly translated to the user positioning domain.

  9. A Quantitative Investigation of Entrainment and Detrainment in Numerically Simulated Convective Clouds. Pt. 1; Model Development

    NASA Technical Reports Server (NTRS)

    Cohen, Charles

    1998-01-01

    A method is developed which uses numerical tracers to make accurate diagnoses of entraimnent and detrainment rates and of the properties of the entrained and detrained air in numerically simulated clouds. The numerical advection scheme is modified to make it nondispersive, as required by the use of the tracers. Tests of the new method are made, and an appropriate definition of clouds is selected. Distributions of mixing fractions in the model consistently show maximums at the end points, for nearly undilute environmental air or nearly undilute cloud air, with a uniform distribution between. The cumulonimbus clouds simulated here entrain air that had been substantially changed by the clouds, and detrained air that is not necessarily representative of the cloud air at the same level.

  10. An Experimental and Numerical Study of a Supersonic Burner for CFD Model Development

    NASA Technical Reports Server (NTRS)

    Magnotti, G.; Cutler, A. D.

    2008-01-01

    A laboratory scale supersonic burner has been developed for validation of computational fluid dynamics models. Detailed numerical simulations were performed for the flow inside the combustor, and coupled with finite element thermal analysis to obtain more accurate outflow conditions. A database of nozzle exit profiles for a wide range of conditions of interest was generated to be used as boundary conditions for simulation of the external jet, or for validation of non-intrusive measurement techniques. A set of experiments was performed to validate the numerical results. In particular, temperature measurements obtained by using an infrared camera show that the computed heat transfer was larger than the measured value. Relaminarization in the convergent part of the nozzle was found to be responsible for this discrepancy, and further numerical simulations sustained this conclusion.

  11. Development of Accurate Chemical Equilibrium Models for the Hanford Waste Tanks: New Thermodynamic Measurements and Model Applications

    SciTech Connect

    Felmy, Andrew R.; Mason, Marvin; Qafoku, Odeta; Xia, Yuanxian; Wang, Zheming; MacLean, Graham

    2003-03-27

    Developing accurate thermodynamic models for predicting the chemistry of the high-level waste tanks at Hanford is an extremely daunting challenge in electrolyte and radionuclide chemistry. These challenges stem from the extremely high ionic strength of the tank waste supernatants, presence of chelating agents in selected tanks, wide temperature range in processing conditions and the presence of important actinide species in multiple oxidation states. This presentation summarizes progress made to date in developing accurate models for these tank waste solutions, how these data are being used at Hanford and the important challenges that remain. New thermodynamic measurements on Sr and actinide complexation with specific chelating agents (EDTA, HEDTA and gluconate) will also be presented.

  12. Simplified versus geometrically accurate models of forefoot anatomy to predict plantar pressures: A finite element study.

    PubMed

    Telfer, Scott; Erdemir, Ahmet; Woodburn, James; Cavanagh, Peter R

    2016-01-25

    Integration of patient-specific biomechanical measurements into the design of therapeutic footwear has been shown to improve clinical outcomes in patients with diabetic foot disease. The addition of numerical simulations intended to optimise intervention design may help to build on these advances, however at present the time and labour required to generate and run personalised models of foot anatomy restrict their routine clinical utility. In this study we developed second-generation personalised simple finite element (FE) models of the forefoot with varying geometric fidelities. Plantar pressure predictions from barefoot, shod, and shod with insole simulations using simplified models were compared to those obtained from CT-based FE models incorporating more detailed representations of bone and tissue geometry. A simplified model including representations of metatarsals based on simple geometric shapes, embedded within a contoured soft tissue block with outer geometry acquired from a 3D surface scan was found to provide pressure predictions closest to the more complex model, with mean differences of 13.3kPa (SD 13.4), 12.52kPa (SD 11.9) and 9.6kPa (SD 9.3) for barefoot, shod, and insole conditions respectively. The simplified model design could be produced in <1h compared to >3h in the case of the more detailed model, and solved on average 24% faster. FE models of the forefoot based on simplified geometric representations of the metatarsal bones and soft tissue surface geometry from 3D surface scans may potentially provide a simulation approach with improved clinical utility, however further validity testing around a range of therapeutic footwear types is required. PMID:26708965

  13. SMARTIES: Spheroids Modelled Accurately with a Robust T-matrix Implementation for Electromagnetic Scattering

    NASA Astrophysics Data System (ADS)

    Somerville, W. R. C.; Auguié, B.; Le Ru, E. C.

    2016-03-01

    SMARTIES calculates the optical properties of oblate and prolate spheroidal particles, with comparable capabilities and ease-of-use as Mie theory for spheres. This suite of MATLAB codes provides a fully documented implementation of an improved T-matrix algorithm for the theoretical modelling of electromagnetic scattering by particles of spheroidal shape. Included are scripts that cover a range of scattering problems relevant to nanophotonics and plasmonics, including calculation of far-field scattering and absorption cross-sections for fixed incidence orientation, orientation-averaged cross-sections and scattering matrix, surface-field calculations as well as near-fields, wavelength-dependent near-field and far-field properties, and access to lower-level functions implementing the T-matrix calculations, including the T-matrix elements which may be calculated more accurately than with competing codes.

  14. Accurate calculation of conductive conductances in complex geometries for spacecrafts thermal models

    NASA Astrophysics Data System (ADS)

    Garmendia, Iñaki; Anglada, Eva; Vallejo, Haritz; Seco, Miguel

    2016-02-01

    The thermal subsystem of spacecrafts and payloads is always designed with the help of Thermal Mathematical Models. In the case of the Thermal Lumped Parameter (TLP) method, the non-linear system of equations that is created is solved to calculate the temperature distribution and the heat power that goes between nodes. The accuracy of the results depends largely on the appropriate calculation of the conductive and radiative conductances. Several established methods for the determination of conductive conductances exist but they present some limitations for complex geometries. Two new methods are proposed in this paper to calculate accurately these conductive conductances: The Extended Far Field method and the Mid-Section method. Both are based on a finite element calculation but while the Extended Far Field method uses the calculation of node mean temperatures, the Mid-Section method is based on assuming specific temperature values. They are compared with traditionally used methods showing the advantages of these two new methods.

  15. A fast and accurate PCA based radiative transfer model: Extension to the broadband shortwave region

    NASA Astrophysics Data System (ADS)

    Kopparla, Pushkar; Natraj, Vijay; Spurr, Robert; Shia, Run-Lie; Crisp, David; Yung, Yuk L.

    2016-04-01

    Accurate radiative transfer (RT) calculations are necessary for many earth-atmosphere applications, from remote sensing retrieval to climate modeling. A Principal Component Analysis (PCA)-based spectral binning method has been shown to provide an order of magnitude increase in computational speed while maintaining an overall accuracy of 0.01% (compared to line-by-line calculations) over narrow spectral bands. In this paper, we have extended the PCA method for RT calculations over the entire shortwave region of the spectrum from 0.3 to 3 microns. The region is divided into 33 spectral fields covering all major gas absorption regimes. We find that the RT performance runtimes are shorter by factors between 10 and 100, while root mean square errors are of order 0.01%.

  16. Accurate force fields and methods for modelling organic molecular crystals at finite temperatures.

    PubMed

    Nyman, Jonas; Pundyke, Orla Sheehan; Day, Graeme M

    2016-06-21

    We present an assessment of the performance of several force fields for modelling intermolecular interactions in organic molecular crystals using the X23 benchmark set. The performance of the force fields is compared to several popular dispersion corrected density functional methods. In addition, we present our implementation of lattice vibrational free energy calculations in the quasi-harmonic approximation, using several methods to account for phonon dispersion. This allows us to also benchmark the force fields' reproduction of finite temperature crystal structures. The results demonstrate that anisotropic atom-atom multipole-based force fields can be as accurate as several popular DFT-D methods, but have errors 2-3 times larger than the current best DFT-D methods. The largest error in the examined force fields is a systematic underestimation of the (absolute) lattice energy. PMID:27230942

  17. Feedbacks Between Numerical and Analytical Models in Hydrogeology

    NASA Astrophysics Data System (ADS)

    Zlotnik, V. A.; Cardenas, M. B.; Toundykov, D.; Cohn, S.

    2012-12-01

    Hydrogeology is a relatively young discipline which combines elements of Earth science and engineering. Mature fundamental disciplines (e.g., physics, chemistry, fluid mechanics) have centuries-long history of mathematical modeling even prior to discovery of Darcy's law. Thus, in hydrogeology, relatively few classic analytical models (such those by Theis, Polubarinova-Kochina, Philip, Toth, Henry, Dagan, Neuman) were developed by the early 1970's. The advent of computers and practical demands refocused mathematical models towards numerical techniques. With more diverse but less mathematically-oriented training, most hydrogeologists shifted from analytical methods to use of standardized computational software. Spatial variability in internal properties and external boundary conditions and geometry, and the added complexity of chemical and biological processes will remain major challenges for analytical modeling. Possibly, analytical techniques will play a subordinate role to numerical approaches in many applications. On the other hand, the rise of analytical element modeling of groundwater flow is a strong alternative to numerical models when data demand and computational efficiency is considered. The hallmark of analytical models - transparency and accuracy - will remain indispensable for scientific exploration of complex phenomena and for benchmarking numerical models. Therefore, there will always be feedbacks and complementarities between numerical and analytical techniques, as well as a certain ideological schism among various views to modeling. We illustrate the idea of feedbacks by reviewing evolution of Joszef Toth's analytical model of gravity driven flow systems. Toth's (1963) approach was to reduce the flow domain to a rectangle which allowed for closed-form solution of the governing equations. Succeeding numerical finite-element models by Freeze and Witherspoon (1966-1968) explored the effects of geometry and heterogeneity on regional groundwater flow

  18. Development of Numerical Grids for UZ Flow and Transport Modeling

    SciTech Connect

    J. Hinds

    2001-12-18

    This Analysis/Model Report (AMR) describes the methods used to develop numerical grids of the unsaturated hydrogeologic system beneath Yucca Mountain. Numerical grid generation is an integral part of the development of a complex, three-dimensional (3-D) model, such as the Unsaturated-Zone Flow and Transport Model (UZ Model) of Yucca Mountain. The resulting numerical grids, developed using current geologic, hydrogeologic, and mineralogic data, provide the necessary framework to: (1) develop calibrated hydrogeologic property sets and flow fields, (2) test conceptual hypotheses of flow and transport, and (3) predict flow and transport behavior under a variety of climatic and thermal loading conditions. Revision 00 of the work described herein follows the planning and work direction outlined in the ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (CRWMS M&O 1999c). The technical scope, content, and management of ICN 01 of this AMR is currently controlled by the planning document, ''Technical Work Plan for Unsaturated Zone (UZ) Flow and Transport Process Model Report'' (BSC 2001a). The scope for the TBV resolution actions in this ICN is described in the ''Technical Work Plan for: Integrated Management of Technical Product Input Department'' (BSC 2001 b, Addendum B, Section 4.1). The steps involved in numerical grid development include: (1) defining the location of important calibration features, (2) determining model grid layers and fault geometry based on the Geologic Framework Model (GFM), the Integrated Site Model (ISM), and definition of hydrogeologic units (HGUs), (3) analyzing and extracting GFM and ISM data pertaining to layer contacts and property distributions, (4) discretizing and refining the two-dimensional (2-D), plan-view numerical grid, (5) generating the 3-D grid with finer resolution at the repository horizon and within the Calico Hills nonwelded (CHn) hydrogeologic unit, and (6) formulating the dual-permeability mesh. The products

  19. Numerical Modeling of Shear Bands and Dynamic Fracture in Metals

    NASA Astrophysics Data System (ADS)

    McAuliffe, Colin James

    Understanding the failure of metals at high strain rate is of utmost importance in the design of a broad range of engineering systems. Numerical methods offer the ability to analyze such complex physics and aid the design of structural systems. The objective of this research will be to develop reliable finite element models for high strain rate failure modelling, incorporating shear bands and fracture. Shear band modelling is explored first, and the subsequent developments are extended to incorporate fracture. Mesh sensitivity, the spurious dependence of failure on the discretization, is a well known hurdle in achieving reliable numerical results for shear bands and fracture, or any other strain softening model. Mesh sensitivity is overcome by regularization, and while details of regularization techniques may differ, all are similar in that a length scale is introduced which serves as a localization limiter. This dissertation contains two main contributions, the first of which presents several developments in shear band modeling. The importance of using a monolithic nonlinear solver in combination with a PDE model accounting for thermal diffusion is demonstrated. In contrast, excluding one or both of these components leads to unreliable numerical results. The Pian-Sumihara stress interpolants are also employed in small and finite deformation and shown to significantly improve the computational cost of shear band modelling. This is partly due to the fact that fewer unknowns than an irreducible discretization result from the same mesh, and more significantly, the fact that convergence of numerical results upon mesh refinement is improved drastically. This means coarser meshes are adequate to resolve shear bands, alleviating some of the computational cost of numerical modelling, which are notoriously significant. Since extremely large deformations are present during shear banding, a mesh to mesh transfer algorithm is presented for the Pian Sumihara element and used as

  20. River-Network Numerical Model Base on Flux Difference Split Method

    NASA Astrophysics Data System (ADS)

    Xiang, X. H.; Wu, X. L.; Wang, C. H.

    2012-04-01

    The paper proposes an implementation of river-network numerical model in computational hydraulics study. The numerical basis of the model is the high resolution method which was usually used in gas dynamics. A high accurate numerical scheme for saint-venant was introduced base on flux difference split method, coupled with wave transportation, Limiter and entropy fixed. Two different problems were discussed for the model, the first is the method for construct the boundary conditions and the second is the method for connecting the network. A partial flux difference split method was employed for the discrete on boundary; the characteristic direction is critical factor to decide which partial to use. Among network coupling process, conservation laws was applied including mass conservation and energy conservation for all river connection points. The scheme can keep high accurate and good stability in the mean time. The present numerical method was applied to two different benchmark problems, one is ideal dam-break and another is irregular channel, both reflected that the introduced method was confirmed to be effective. And then a real river-network was tested, the comparison of observation and the numerical results show the high reliable of the introduced model. This research was supported by the National Natural Science Foundation of China (No. 51009045; 40930635; 41001011; 41101018; 51079038), the National Key Program for Developing Basic Science (No. 2009CB421105), the Fundamental Research Funds for the Central Universities (No. 2009B06614; 2010B00414), the National Non Profit Research Program of China (No. 200905013-8; 201101024; 20101224).

  1. Numerical modelling and verification of Polish ventricular assist device.

    PubMed

    Milenin, Andrzej; Kopernik, Magdalena; Jurkojć, Dorota; Gawlikowski, Maciej; Rusin, Tomasz; Darłak, Maciej; Kustosz, Roman

    2012-01-01

    The developed multiscale model of blood chamber of POLVAD (Polish ventricular assist device) was introduced. The tension test for polymer and digital image correlation (DIC) were performed for verification of the strains and displacements obtained in the numerical model of POLVAD_EXT. The numerical simulations were carried out in conditions given in the experiment to compare the results obtained on external surfaces of blood chamber of the POLVAD_EXT. The examined polymer applied in the POLVADs is sensitive to changes of temperature and this observation is considered in all prepared numerical models. The comparison of experimental and numerical results shows acceptable coincidence. There are some heterogeneous distributions of strains in experiment with respect to analysis of computed parameters. The comparison of two versions of blood chambers (POLVAD and POLVAD_EXT) in numerical analysis shows that POLVAD_EXT construction is better with respect to analysis of strain and stress. The maximum values of computed parameters are located in the regions between connectors on the internal surfaces of blood chambers of POLVAD. PMID:23140381

  2. Uncertainty evaluation in numerical modeling of complex devices

    NASA Astrophysics Data System (ADS)

    Cheng, X.; Monebhurrun, V.

    2014-10-01

    Numerical simulation is an efficient tool for exploring and understanding the physics of complex devices, e.g. mobile phones. For meaningful results, it is important to evaluate the uncertainty of the numerical simulation. Uncertainty quantification in specific absorption rate (SAR) calculation using a full computer-aided design (CAD) mobile phone model is a challenging task. Since a typical SAR numerical simulation is computationally expensive, the traditional Monte Carlo (MC) simulation method proves inadequate. The unscented transformation (UT) is an alternative and numerically efficient method herein investigated to evaluate the uncertainty in the SAR calculation using the realistic models of two commercially available mobile phones. The electromagnetic simulation process is modeled as a nonlinear mapping with the uncertainty in the inputs e.g. the relative permittivity values of the mobile phone material properties, inducing an uncertainty in the output, e.g. the peak spatial-average SAR value.The numerical simulation results demonstrate that UT may be a potential candidate for the uncertainty quantification in SAR calculations since only a few simulations are necessary to obtain results similar to those obtained after hundreds or thousands of MC simulations.

  3. Oxygen-enhanced MRI accurately identifies, quantifies, and maps tumor hypoxia in preclinical cancer models

    PubMed Central

    O’Connor, James PB; Boult, Jessica KR; Jamin, Yann; Babur, Muhammad; Finegan, Katherine G; Williams, Kaye J; Little, Ross A; Jackson, Alan; Parker, Geoff JM; Reynolds, Andrew R; Waterton, John C; Robinson, Simon P

    2015-01-01

    There is a clinical need for non-invasive biomarkers of tumor hypoxia for prognostic and predictive studies, radiotherapy planning and therapy monitoring. Oxygen enhanced MRI (OE-MRI) is an emerging imaging technique for quantifying the spatial distribution and extent of tumor oxygen delivery in vivo. In OE-MRI, the longitudinal relaxation rate of protons (ΔR1) changes in proportion to the concentration of molecular oxygen dissolved in plasma or interstitial tissue fluid. Therefore, well-oxygenated tissues show positive ΔR1. We hypothesized that the fraction of tumor tissue refractory to oxygen challenge (lack of positive ΔR1, termed “Oxy-R fraction”) would be a robust biomarker of hypoxia in models with varying vascular and hypoxic features. Here we demonstrate that OE-MRI signals are accurate, precise and sensitive to changes in tumor pO2 in highly vascular 786-0 renal cancer xenografts. Furthermore, we show that Oxy-R fraction can quantify the hypoxic fraction in multiple models with differing hypoxic and vascular phenotypes, when used in combination with measurements of tumor perfusion. Finally, Oxy-R fraction can detect dynamic changes in hypoxia induced by the vasomodulator agent hydralazine. In contrast, more conventional biomarkers of hypoxia (derived from blood oxygenation-level dependent MRI and dynamic contrast-enhanced MRI) did not relate to tumor hypoxia consistently. Our results show that the Oxy-R fraction accurately quantifies tumor hypoxia non-invasively and is immediately translatable to the clinic. PMID:26659574

  4. Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions

    SciTech Connect

    Nielsen, Jens; D’Avezac, Mayeul; Hetherington, James; Stamatakis, Michail

    2013-12-14

    Ab initio kinetic Monte Carlo (KMC) simulations have been successfully applied for over two decades to elucidate the underlying physico-chemical phenomena on the surfaces of heterogeneous catalysts. These simulations necessitate detailed knowledge of the kinetics of elementary reactions constituting the reaction mechanism, and the energetics of the species participating in the chemistry. The information about the energetics is encoded in the formation energies of gas and surface-bound species, and the lateral interactions between adsorbates on the catalytic surface, which can be modeled at different levels of detail. The majority of previous works accounted for only pairwise-additive first nearest-neighbor interactions. More recently, cluster-expansion Hamiltonians incorporating long-range interactions and many-body terms have been used for detailed estimations of catalytic rate [C. Wu, D. J. Schmidt, C. Wolverton, and W. F. Schneider, J. Catal. 286, 88 (2012)]. In view of the increasing interest in accurate predictions of catalytic performance, there is a need for general-purpose KMC approaches incorporating detailed cluster expansion models for the adlayer energetics. We have addressed this need by building on the previously introduced graph-theoretical KMC framework, and we have developed Zacros, a FORTRAN2003 KMC package for simulating catalytic chemistries. To tackle the high computational cost in the presence of long-range interactions we introduce parallelization with OpenMP. We further benchmark our framework by simulating a KMC analogue of the NO oxidation system established by Schneider and co-workers [J. Catal. 286, 88 (2012)]. We show that taking into account only first nearest-neighbor interactions may lead to large errors in the prediction of the catalytic rate, whereas for accurate estimates thereof, one needs to include long-range terms in the cluster expansion.

  5. The S-model: A highly accurate MOST model for CAD

    NASA Astrophysics Data System (ADS)

    Satter, J. H.

    1986-09-01

    A new MOST model which combines simplicity and a logical structure with a high accuracy of only 0.5-4.5% is presented. The model is suited for enhancement and depletion devices with either large or small dimensions. It includes the effects of scattering and carrier-velocity saturation as well as the influence of the intrinsic source and drain series resistance. The decrease of the drain current due to substrate bias is incorporated too. The model is in the first place intended for digital purposes. All necessary quantities are calculated in a straightforward manner without iteration. An almost entirely new way of determining the parameters is described and a new cluster parameter is introduced, which is responsible for the high accuracy of the model. The total number of parameters is 7. A still simpler β expression is derived, which is suitable for only one value of the substrate bias and contains only three parameters, while maintaining the accuracy. The way in which the parameters are determined is readily suited for automatic measurement. A simple linear regression procedure programmed in the computer, which controls the measurements, produces the parameter values.

  6. Numerical Model Studies of the Martian Mesoscale Circulations

    NASA Technical Reports Server (NTRS)

    Segal, Moti; Arritt, Raymond W.

    1997-01-01

    The study objectives were to evaluate by numerical modeling various possible mesoscale circulation on Mars and related atmospheric boundary layer processes. The study was in collaboration with J. Tillman of the University of Washington (who supported the study observationally). Interaction has been made with J. Prusa of Iowa State University in numerical modeling investigation of dynamical effects of topographically-influenced flow. Modeling simulations included evaluations of surface physical characteristics on: (i) the Martian atmospheric boundary layer and (ii) their impact on thermally and dynamically forced mesoscale flows. Special model evaluations were made in support of selection of the Pathfinder landing sites. J. Tillman's finding of VL-2 inter-annual temperature difference was followed by model simulations attempting to point out the forcing for this feature. Publication of the results in the reviewed literature in pending upon completion of the manuscripts in preparation as indicated later.

  7. Numerical Simulation and Cold Modeling experiments on Centrifugal Casting

    NASA Astrophysics Data System (ADS)

    Keerthiprasad, Kestur Sadashivaiah; Murali, Mysore Seetharam; Mukunda, Pudukottah Gopaliengar; Majumdar, Sekhar

    2011-02-01

    In a centrifugal casting process, the fluid flow eventually determines the quality and characteristics of the final product. It is difficult to study the fluid behavior here because of the opaque nature of melt and mold. In the current investigation, numerical simulations of the flow field and visualization experiments on cold models have been carried out for a centrifugal casting system using horizontal molds and fluids of different viscosities to study the effect of different process variables on the flow pattern. The effects of the thickness of the cylindrical fluid annulus formed inside the mold and the effects of fluid viscosity, diameter, and rotational speed of the mold on the hollow fluid cylinder formation process have been investigated. The numerical simulation results are compared with corresponding data obtained from the cold modeling experiments. The influence of rotational speed in a real-life centrifugal casting system has also been studied using an aluminum-silicon alloy. Cylinders of different thicknesses are cast at different rotational speeds, and the flow patterns observed visually in the actual castings are found to be similar to those recorded in the corresponding cold modeling experiments. Reasonable agreement is observed between the results of numerical simulation and the results of cold modeling experiments with different fluids. The visualization study on the hollow cylinders produced in an actual centrifugal casting process also confirm the conclusions arrived at from the cold modeling experiments and numerical simulation in a qualitative sense.

  8. Development, validation and application of numerical space environment models

    NASA Astrophysics Data System (ADS)

    Honkonen, Ilja

    2013-10-01

    Currently the majority of space-based assets are located inside the Earth's magnetosphere where they must endure the effects of the near-Earth space environment, i.e. space weather, which is driven by the supersonic flow of plasma from the Sun. Space weather refers to the day-to-day changes in the temperature, magnetic field and other parameters of the near-Earth space, similarly to ordinary weather which refers to changes in the atmosphere above ground level. Space weather can also cause adverse effects on the ground, for example, by inducing large direct currents in power transmission systems. The performance of computers has been growing exponentially for many decades and as a result the importance of numerical modeling in science has also increased rapidly. Numerical modeling is especially important in space plasma physics because there are no in-situ observations of space plasmas outside of the heliosphere and it is not feasible to study all aspects of space plasmas in a terrestrial laboratory. With the increasing number of computational cores in supercomputers, the parallel performance of numerical models on distributed memory hardware is also becoming crucial. This thesis consists of an introduction, four peer reviewed articles and describes the process of developing numerical space environment/weather models and the use of such models to study the near-Earth space. A complete model development chain is presented starting from initial planning and design to distributed memory parallelization and optimization, and finally testing, verification and validation of numerical models. A grid library that provides good parallel scalability on distributed memory hardware and several novel features, the distributed cartesian cell-refinable grid (DCCRG), is designed and developed. DCCRG is presently used in two numerical space weather models being developed at the Finnish Meteorological Institute. The first global magnetospheric test particle simulation based on the

  9. Random generalized linear model: a highly accurate and interpretable ensemble predictor

    PubMed Central

    2013-01-01

    Background Ensemble predictors such as the random forest are known to have superior accuracy but their black-box predictions are difficult to interpret. In contrast, a generalized linear model (GLM) is very interpretable especially when forward feature selection is used to construct the model. However, forward feature selection tends to overfit the data and leads to low predictive accuracy. Therefore, it remains an important research goal to combine the advantages of ensemble predictors (high accuracy) with the advantages of forward regression modeling (interpretability). To address this goal several articles have explored GLM based ensemble predictors. Since limited evaluations suggested that these ensemble predictors were less accurate than alternative predictors, they have found little attention in the literature. Results Comprehensive evaluations involving hundreds of genomic data sets, the UCI machine learning benchmark data, and simulations are used to give GLM based ensemble predictors a new and careful look. A novel bootstrap aggregated (bagged) GLM predictor that incorporates several elements of randomness and instability (random subspace method, optional interaction terms, forward variable selection) often outperforms a host of alternative prediction methods including random forests and penalized regression models (ridge regression, elastic net, lasso). This random generalized linear model (RGLM) predictor provides variable importance measures that can be used to define a “thinned” ensemble predictor (involving few features) that retains excellent predictive accuracy. Conclusion RGLM is a state of the art predictor that shares the advantages of a random forest (excellent predictive accuracy, feature importance measures, out-of-bag estimates of accuracy) with those of a forward selected generalized linear model (interpretability). These methods are implemented in the freely available R software package randomGLM. PMID:23323760

  10. Discrete state model and accurate estimation of loop entropy of RNA secondary structures.

    PubMed

    Zhang, Jian; Lin, Ming; Chen, Rong; Wang, Wei; Liang, Jie

    2008-03-28

    Conformational entropy makes important contribution to the stability and folding of RNA molecule, but it is challenging to either measure or compute conformational entropy associated with long loops. We develop optimized discrete k-state models of RNA backbone based on known RNA structures for computing entropy of loops, which are modeled as self-avoiding walks. To estimate entropy of hairpin, bulge, internal loop, and multibranch loop of long length (up to 50), we develop an efficient sampling method based on the sequential Monte Carlo principle. Our method considers excluded volume effect. It is general and can be applied to calculating entropy of loops with longer length and arbitrary complexity. For loops of short length, our results are in good agreement with a recent theoretical model and experimental measurement. For long loops, our estimated entropy of hairpin loops is in excellent agreement with the Jacobson-Stockmayer extrapolation model. However, for bulge loops and more complex secondary structures such as internal and multibranch loops, we find that the Jacobson-Stockmayer extrapolation model has large errors. Based on estimated entropy, we have developed empirical formulae for accurate calculation of entropy of long loops in different secondary structures. Our study on the effect of asymmetric size of loops suggest that loop entropy of internal loops is largely determined by the total loop length, and is only marginally affected by the asymmetric size of the two loops. Our finding suggests that the significant asymmetric effects of loop length in internal loops measured by experiments are likely to be partially enthalpic. Our method can be applied to develop improved energy parameters important for studying RNA stability and folding, and for predicting RNA secondary and tertiary structures. The discrete model and the program used to calculate loop entropy can be downloaded at http://gila.bioengr.uic.edu/resources/RNA.html. PMID:18376982

  11. Accurate relativistic adapted Gaussian basis sets for francium through Ununoctium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models.

    PubMed

    Teodoro, Tiago Quevedo; Haiduke, Roberto Luiz Andrade

    2013-10-15

    Accurate relativistic adapted Gaussian basis sets (RAGBSs) for 87 Fr up to 118 Uuo atoms without variational prolapse were developed here with the use of a polynomial version of the Generator Coordinate Dirac-Fock method. Two finite nuclear models have been used, the Gaussian and uniform sphere models. The largest RAGBS error, with respect to numerical Dirac-Fock results, is 15.4 miliHartree for Ununoctium with a basis set size of 33s30p19d14f functions. PMID:23913741

  12. Physical and numerical modeling of Joule-heated melters

    NASA Astrophysics Data System (ADS)

    Eyler, L. L.; Skarda, R. J.; Crowder, R. S., III; Trent, D. S.; Reid, C. R.; Lessor, D. L.

    1985-10-01

    The Joule-heated ceramic-lined melter is an integral part of the high level waste immobilization process under development by the US Department of Energy. Scaleup and design of this waste glass melting furnace requires an understanding of the relationships between melting cavity design parameters and the furnace performance characteristics such as mixing, heat transfer, and electrical requirements. Developing empirical models of these relationships through actual melter testing with numerous designs would be a very costly and time consuming task. Additionally, the Pacific Northwest Laboratory (PNL) has been developing numerical models that simulate a Joule-heated melter for analyzing melter performance. This report documents the method used and results of this modeling effort. Numerical modeling results are compared with the more conventional, physical modeling results to validate the approach. Also included are the results of numerically simulating an operating research melter at PNL. Physical Joule-heated melters modeling results used for qualiying the simulation capabilities of the melter code included: (1) a melter with a single pair of electrodes and (2) a melter with a dual pair (two pairs) of electrodes. The physical model of the melter having two electrode pairs utilized a configuration with primary and secondary electrodes. The principal melter parameters (the ratio of power applied to each electrode pair, modeling fluid depth, electrode spacing) were varied in nine tests of the physical model during FY85. Code predictions were made for five of these tests. Voltage drops, temperature field data, and electric field data varied in their agreement with the physical modeling results, but in general were judged acceptable.

  13. Physical and numerical modeling of Joule-heated melters

    SciTech Connect

    Eyler, L.L.; Skarda, R.J.; Crowder, R.S. III; Trent, D.S.; Reid, C.R.; Lessor, D.L.

    1985-10-01

    The Joule-heated ceramic-lined melter is an integral part of the high level waste immobilization process under development by the US Department of Energy. Scaleup and design of this waste glass melting furnace requires an understanding of the relationships between melting cavity design parameters and the furnace performance characteristics such as mixing, heat transfer, and electrical requirements. Developing empirical models of these relationships through actual melter testing with numerous designs would be a very costly and time consuming task. Additionally, the Pacific Northwest Laboratory (PNL) has been developing numerical models that simulate a Joule-heated melter for analyzing melter performance. This report documents the method used and results of this modeling effort. Numerical modeling results are compared with the more conventional, physical modeling results to validate the approach. Also included are the results of numerically simulating an operating research melter at PNL. Physical Joule-heated melters modeling results used for qualiying the simulation capabilities of the melter code included: (1) a melter with a single pair of electrodes and (2) a melter with a dual pair (two pairs) of electrodes. The physical model of the melter having two electrode pairs utilized a configuration with primary and secondary electrodes. The principal melter parameters (the ratio of power applied to each electrode pair, modeling fluid depth, electrode spacing) were varied in nine tests of the physical model during FY85. Code predictions were made for five of these tests. Voltage drops, temperature field data, and electric field data varied in their agreement with the physical modeling results, but in general were judged acceptable. 14 refs., 79 figs., 17 tabs.

  14. An improved numerical model for wave rotor design and analysis

    NASA Technical Reports Server (NTRS)

    Paxson, Daniel E.; Wilson, Jack

    1992-01-01

    A numerical model has been developed which can predict both the unsteady flows within a wave rotor and the steady averaged flows in the ports. The model is based on the assumptions of one-dimensional, unsteady, and perfect gas flow. Besides the dominant wave behavior, it is also capable of predicting the effects of finite tube opening time, leakage from the tube ends, and viscosity. The relative simplicity of the model makes it useful for design, optimization, and analysis of wave rotor cycles for any application. This paper discusses some details of the model and presents comparisons between the model and two laboratory wave rotor experiments.

  15. Numerical strategy for model correction using physical constraints

    NASA Astrophysics Data System (ADS)

    He, Yanyan; Xiu, Dongbin

    2016-05-01

    In this paper we present a strategy for correcting model deficiency using observational data. We first present the model correction in a general form, involving both external correction and internal correction. The model correction problem is then parameterized and casted into an optimization problem, from which the parameters are determined. More importantly, we discuss the incorporation of physical constraints from the underlying physical problem. Several representative examples are presented, where the physical constraints take very different forms. Numerical tests demonstrate that the physics constrained model correction is an effective way to address model-form uncertainty.

  16. Analytical and numerical modeling of non-collinear shear wave mixing at an imperfect interface.

    PubMed

    Zhang, Ziyin; Nagy, Peter B; Hassan, Waled

    2016-02-01

    Non-collinear shear wave mixing at an imperfect interface between two solids can be exploited for nonlinear ultrasonic assessment of bond quality. In this study we developed two analytical models for nonlinear imperfect interfaces. The first model uses a finite nonlinear interfacial stiffness representation of an imperfect interface of vanishing thickness, while the second model relies on a thin nonlinear interphase layer to represent an imperfect interface region. The second model is actually a derivative of the first model obtained by calculating the equivalent interfacial stiffness of a thin isotropic nonlinear interphase layer in the quasi-static approximation. The predictions of both analytical models were numerically verified by comparison to COMSOL finite element simulations. These models can accurately predict the additional nonlinearity caused by interface imperfections based on the strength of the reflected and transmitted mixed longitudinal waves produced by them under non-collinear shear wave interrogation. PMID:26482394

  17. Analytical and numerical modeling of non-collinear shear wave mixing at an imperfect interface

    NASA Astrophysics Data System (ADS)

    Zhang, Ziyin; Nagy, Peter B.; Hassan, Waled

    2016-02-01

    Non-collinear shear wave mixing at an imperfect interface between two solids can be exploited for nonlinear ultrasonic assessment of bond quality. In this study we developed two analytical models for nonlinear imperfect interfaces. The first model uses a finite nonlinear interfacial stiffness representation of an imperfect interface of vanishing thickness, while the second model relies on a thin nonlinear interphase layer to represent an imperfect interface region. The second model is actually a derivative of the first model obtained by calculating the equivalent interfacial stiffness of a thin isotropic nonlinear interphase layer in the quasi-static approximation. The predictions of both analytical models were numerically verified by comparison to COMSOL finite element simulations. These models can accurately predict the excess nonlinearity caused by interface imperfections based on the strength of the reflected and transmitted mixed longitudinal waves produced by them under non-collinear shear wave interrogation.

  18. Integrating Numerical Groundwater Modeling Results With Geographic Information Systems

    NASA Astrophysics Data System (ADS)

    Witkowski, M. S.; Robinson, B. A.; Linger, S. P.

    2001-12-01

    Many different types of data are used to create numerical models of flow and transport of groundwater in the vadose zone. Results from water balance studies, infiltration models, hydrologic properties, and digital elevation models (DEMs) are examples of such data. Because input data comes in a variety of formats, for consistency the data need to be assembled in a coherent fashion on a single platform. Through the use of a geographic information system (GIS), all data sources can effectively be integrated on one platform to store, retrieve, query, and display data. In our vadoze zone modeling studies in support of Los Alamos National Laboratory's Environmental Restoration Project, we employ a GIS comprised of a Raid storage device, an Oracle database, ESRI's spatial database engine (SDE), ArcView GIS, and custom GIS tools for three-dimensional (3D) analysis. We store traditional GIS data, such as, contours, historical building footprints, and study area locations, as points, lines, and polygons with attributes. Numerical flow and transport model results from the Finite Element Heat and Mass Transfer Code (FEHM) are stored as points with attributes, such as fluid saturation, or pressure, or contaminant concentration at a given location. We overlay traditional types of GIS data with numerical model results, thereby allowing us to better build conceptual models and perform spatial analyses. We have also developed specialized analysis tools to assist in the data and model analysis process. This approach provides an integrated framework for performing tasks such as comparing the model to data and understanding the relationship of model predictions to existing contaminant source locations and water supply wells. Our process of integrating GIS and numerical modeling results allows us to answer a wide variety of questions about our conceptual model design: - Which set of locations should be identified as contaminant sources based on known historical building operations

  19. A stochastic model of kinetochore–microtubule attachment accurately describes fission yeast chromosome segregation

    PubMed Central

    Gay, Guillaume; Courtheoux, Thibault; Reyes, Céline

    2012-01-01

    In fission yeast, erroneous attachments of spindle microtubules to kinetochores are frequent in early mitosis. Most are corrected before anaphase onset by a mechanism involving the protein kinase Aurora B, which destabilizes kinetochore microtubules (ktMTs) in the absence of tension between sister chromatids. In this paper, we describe a minimal mathematical model of fission yeast chromosome segregation based on the stochastic attachment and detachment of ktMTs. The model accurately reproduces the timing of correct chromosome biorientation and segregation seen in fission yeast. Prevention of attachment defects requires both appropriate kinetochore orientation and an Aurora B–like activity. The model also reproduces abnormal chromosome segregation behavior (caused by, for example, inhibition of Aurora B). It predicts that, in metaphase, merotelic attachment is prevented by a kinetochore orientation effect and corrected by an Aurora B–like activity, whereas in anaphase, it is corrected through unbalanced forces applied to the kinetochore. These unbalanced forces are sufficient to prevent aneuploidy. PMID:22412019

  20. Computationally efficient and accurate enantioselectivity modeling by clusters of molecular dynamics simulations.

    PubMed

    Wijma, Hein J; Marrink, Siewert J; Janssen, Dick B

    2014-07-28

    Computational approaches could decrease the need for the laborious high-throughput experimental screening that is often required to improve enzymes by mutagenesis. Here, we report that using multiple short molecular dynamics (MD) simulations makes it possible to accurately model enantioselectivity for large numbers of enzyme-substrate combinations at low computational costs. We chose four different haloalkane dehalogenases as model systems because of the availability of a large set of experimental data on the enantioselective conversion of 45 different substrates. To model the enantioselectivity, we quantified the frequency of occurrence of catalytically productive conformations (near attack conformations) for pairs of enantiomers during MD simulations. We found that the angle of nucleophilic attack that leads to carbon-halogen bond cleavage was a critical variable that limited the occurrence of productive conformations; enantiomers for which this angle reached values close to 180° were preferentially converted. A cluster of 20-40 very short (10 ps) MD simulations allowed adequate conformational sampling and resulted in much better agreement to experimental enantioselectivities than single long MD simulations (22 ns), while the computational costs were 50-100 fold lower. With single long MD simulations, the dynamics of enzyme-substrate complexes remained confined to a conformational subspace that rarely changed significantly, whereas with multiple short MD simulations a larger diversity of conformations of enzyme-substrate complexes was observed. PMID:24916632

  1. Accurate models for P-gp drug recognition induced from a cancer cell line cytotoxicity screen.

    PubMed

    Levatić, Jurica; Ćurak, Jasna; Kralj, Marijeta; Šmuc, Tomislav; Osmak, Maja; Supek, Fran

    2013-07-25

    P-glycoprotein (P-gp, MDR1) is a promiscuous drug efflux pump of substantial pharmacological importance. Taking advantage of large-scale cytotoxicity screening data involving 60 cancer cell lines, we correlated the differential biological activities of ∼13,000 compounds against cellular P-gp levels. We created a large set of 934 high-confidence P-gp substrates or nonsubstrates by enforcing agreement with an orthogonal criterion involving P-gp overexpressing ADR-RES cells. A support vector machine (SVM) was 86.7% accurate in discriminating P-gp substrates on independent test data, exceeding previous models. Two molecular features had an overarching influence: nearly all P-gp substrates were large (>35 atoms including H) and dense (specific volume of <7.3 Å(3)/atom) molecules. Seven other descriptors and 24 molecular fragments ("effluxophores") were found enriched in the (non)substrates and incorporated into interpretable rule-based models. Biological experiments on an independent P-gp overexpressing cell line, the vincristine-resistant VK2, allowed us to reclassify six compounds previously annotated as substrates, validating our method's predictive ability. Models are freely available at http://pgp.biozyne.com . PMID:23772653

  2. Mapping of photon distribution and imaging of MR-derived anatomically accurate optical models of the female breast

    NASA Astrophysics Data System (ADS)

    Barbour, San-Lian S.; Barbour, Randall L.; Koo, Ping C.; Graber, Harry L.; Chang, Jenghwa

    1995-05-01

    We have computed optical images of the female breast based on analysis of tomographic data obtained from simulated time-independent optical measurements of anatomically accurate maps derived from segmented 3D magnetic resonance (MR) images. Images were segmented according to the measured MR contrast levels for fat and parenchymal tissue from T1 weighted acquisitions. Computed images were obtained from analysis of solutions to the forward problem for breasts containing 'added pathologies', representing tumors, to breasts lacking these inclusions. Both breast size and its optical properties have been examined in tissue. In each case, two small simulated tumors were 'added' to the background issue. Values of absorption and scattering coefficients of the tumors have been examined that are both greater and less than the surrounding tissue. Detector responses and the required imaging operators were computed by numerically solving the diffusion equation for inhomogeneous media. Detectors were distributed uniformly, in a circular fashion, around the breast in a plane positioned parallel and half-way between the chest wall and the nipple. A total of 20 sources were used, and for each 20 detectors. Reconstructed images were obtained by solving a linear perturbation equation derived from transport theory. Three algorithms were tested to solve the perturbation equation and include, the methods of conjugate gradient decent (CGD), projection onto convex sets (POCS), and simultaneous algebraic reconstruction technique (SART). Results obtained showed that in each case, high quality reconstructions were obtained. The computed images correctly resolved and identified the spatial position of the two tumors. Additional studies showed that computed images were stable to large systematic errors in the imaging operators and to added noise. Further, examination of the computed detector readings indicate that images of tissue up to approximately 10 cm in thickness should be possible. The

  3. Melt-rock reaction in the asthenospheric mantle: Perspectives from high-order accurate numerical simulations in 2D and 3D

    NASA Astrophysics Data System (ADS)

    Tirupathi, S.; Schiemenz, A. R.; Liang, Y.; Parmentier, E.; Hesthaven, J.

    2013-12-01

    The style and mode of melt migration in the mantle are important to the interpretation of basalts erupted on the surface. Both grain-scale diffuse porous flow and channelized melt migration have been proposed. To better understand the mechanisms and consequences of melt migration in a heterogeneous mantle, we have undertaken a numerical study of reactive dissolution in an upwelling and viscously deformable mantle where solubility of pyroxene increases upwards. Our setup is similar to that described in [1], except we use a larger domain size in 2D and 3D and a new numerical method. To enable efficient simulations in 3D through parallel computing, we developed a high-order accurate numerical method for the magma dynamics problem using discontinuous Galerkin methods and constructed the problem using the numerical library deal.II [2]. Linear stability analyses of the reactive dissolution problem reveal three dynamically distinct regimes [3] and the simulations reported in this study were run in the stable regime and the unstable wave regime where small perturbations in porosity grows periodically. The wave regime is more relevant to melt migration beneath the mid-ocean ridges but computationally more challenging. Extending the 2D simulations in the stable regime in [1] to 3D using various combinations of sustained perturbations in porosity at the base of the upwelling column (which may result from a viened mantle), we show the geometry and distribution of dunite channel and high-porosity melt channels are highly correlated with inflow perturbation through superposition. Strong nonlinear interactions among compaction, dissolution, and upwelling give rise to porosity waves and high-porosity melt channels in the wave regime. These compaction-dissolution waves have well organized but time-dependent structures in the lower part of the simulation domain. High-porosity melt channels nucleate along nodal lines of the porosity waves, growing downwards. The wavelength scales

  4. Development of numerical Grids for UZ Flow and Transport Modeling

    SciTech Connect

    P. Dobson

    2004-08-31

    This report describes the methods used to develop numerical grids of the unsaturated hydrogeologic system beneath Yucca Mountain, Nevada. Numerical grid generation is an integral part of the development of the unsaturated zone (UZ) flow and transport model, a complex, three-dimensional (3-D) model of Yucca Mountain. This revision contains changes made to improve the clarity of the description of grid generation. The numerical grids, developed using current geologic, hydrogeologic, and mineralogic data, provide the necessary framework to: (1) develop calibrated hydrogeologic property sets and flow fields, (2) test conceptual hypotheses of flow and transport, and (3) predict flow and transport behavior under a variety of climatic and thermal-loading conditions. The technical scope, content, and management for the current revision of this report are described in the planning document ''Technical Work Plan for: Unsaturated Zone Flow Analysis and Model Report Integration'' (BSC 2004 [DIRS 169654], Section 2). Grids generated and documented in this report supersede those documented in Revision 00 of this report, ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (BSC 2001 [DIRS 159356]). The grids presented in this report are the same as those developed in Revision 01 (BSC 2003 [DIRS 160109]); however, the documentation of the development of the grids in Revision 02 has been updated to address technical inconsistencies and achieve greater transparency, readability, and traceability. The constraints, assumptions, and limitations associated with this report are discussed in the appropriate sections that follow.

  5. A SPATIO-TEMPORAL DOWNSCALER FOR OUTPUT FROM NUMERICAL MODELS

    EPA Science Inventory

    Often, in environmental data collection, data arise from two sources: numerical models and monitoring networks. The first source provides predictions at the level of grid cells, while the second source gives measurements at points. The first is characterized by full spatial cove...

  6. ENHANCED HYDRODYNAMICAL-NUMERICAL MODEL FOR NEAR-SHORE PROCESSES

    EPA Science Inventory

    An optimized version of a multilayer Hansen type Hydrodynamical-Numerical (HN) model is presented and discussed here as the basis for the following experimental extensions and enhancements developed to more appropriately handle near-shore processes: Non-linear term extension to f...

  7. Numerical Modeling of Drying Residual RP-1 in Rocket Engines

    NASA Technical Reports Server (NTRS)

    Majumdar, Alok; Polsgrove, Robert; Tiller, Bruce; Rodriquez, Pete (Technical Monitor)

    2000-01-01

    When a Rocket Engine shuts down under a fuel rich environment, a significant amount of unburned RP-1 is trapped In the engine. It is necessary to clean the residual RP-1 prior to subsequent firing to avoid any explosion due to detonation. The conventional method is to dry RP-1 with inert gas such as Nitrogen or Helium. It is difficult to estimate the drying time unless the engine is adequately equipped with instruments to measure the trace of RP-1 during the drying process. Such instrumentation in flight hardware is often impractical and costly. On the other hand numerical modeling of the drying process can provide a good insight for a satisfactory operation of the process. A numerical model can provide answer to questions such as a) how long it takes to dry, b) which fluid is a better dryer for RP-1, c) how to reduce drying time etc. The purpose of the present paper is to describe a numerical model of drying RP-1 trapped in a cavity with flowing nitrogen or helium. The numerical model assumes one dimensional flow of drying fluid in contact with liquid pool of RP-1. An evaporative mass transfer takes place across the contact surface.

  8. Accurate mathematical models to describe the lactation curve of Lacaune dairy sheep under intensive management.

    PubMed

    Elvira, L; Hernandez, F; Cuesta, P; Cano, S; Gonzalez-Martin, J-V; Astiz, S

    2013-06-01

    Although the intensive production system of Lacaune dairy sheep is the only profitable method for producers outside of the French Roquefort area, little is known about this type of systems. This study evaluated yield records of 3677 Lacaune sheep under intensive management between 2005 and 2010 in order to describe the lactation curve of this breed and to investigate the suitability of different mathematical functions for modeling this curve. A total of 7873 complete lactations during a 40-week lactation period corresponding to 201 281 pieces of weekly yield data were used. First, five mathematical functions were evaluated on the basis of the residual mean square, determination coefficient, Durbin Watson and Runs Test values. The two better models were found to be Pollott Additive and fractional polynomial (FP). In the second part of the study, the milk yield, peak of milk yield, day of peak and persistency of the lactations were calculated with Pollot Additive and FP models and compared with the real data. The results indicate that both models gave an extremely accurate fit to Lacaune lactation curves in order to predict milk yields (P = 0.871), with the FP model being the best choice to provide a good fit to an extensive amount of real data and applicable on farm without specific statistical software. On the other hand, the interpretation of the parameters of the Pollott Additive function helps to understand the biology of the udder of the Lacaune sheep. The characteristics of the Lacaune lactation curve and milk yield are affected by lactation number and length. The lactation curves obtained in the present study allow the early identification of ewes with low milk yield potential, which will help to optimize farm profitability. PMID:23257242

  9. Numerical analysis of modeling based on improved Elman neural network.

    PubMed

    Jie, Shao; Li, Wang; WeiSong, Zhao; YaQin, Zhong; Malekian, Reza

    2014-01-01

    A modeling based on the improved Elman neural network (IENN) is proposed to analyze the nonlinear circuits with the memory effect. The hidden layer neurons are activated by a group of Chebyshev orthogonal basis functions instead of sigmoid functions in this model. The error curves of the sum of squared error (SSE) varying with the number of hidden neurons and the iteration step are studied to determine the number of the hidden layer neurons. Simulation results of the half-bridge class-D power amplifier (CDPA) with two-tone signal and broadband signals as input have shown that the proposed behavioral modeling can reconstruct the system of CDPAs accurately and depict the memory effect of CDPAs well. Compared with Volterra-Laguerre (VL) model, Chebyshev neural network (CNN) model, and basic Elman neural network (BENN) model, the proposed model has better performance. PMID:25054172

  10. Numerical Model Simulation of Atmosphere above A.C. Airport

    NASA Astrophysics Data System (ADS)

    Lutes, Tiffany; Trout, Joseph

    2014-03-01

    In this research project, the Weather Research & Forecasting (WRF) model from the National Center for Atmospheric Research (NCAR) is used to investigate past and present weather conditions. The Atlantic City Airport area in southern New Jersey is the area of interest. Long-term hourly data is analyzed and model simulations are created. By inputting high resolution surface data, a more accurate picture of the effects of different weather conditions will be portrayed. Currently, the impact of gridded model runs is being tested, and the impact of surface characteristics is being investigated.

  11. 2D numerical modelling of meandering channel formation

    NASA Astrophysics Data System (ADS)

    XIAO, Y.; ZHOU, G.; YANG, F. S.

    2016-03-01

    A 2D depth-averaged model for hydrodynamic sediment transport and river morphological adjustment was established. The sediment transport submodel takes into account the influence of non-uniform sediment with bed surface armoring and considers the impact of secondary flow in the direction of bed-load transport and transverse slope of the river bed. The bank erosion submodel incorporates a simple simulation method for updating bank geometry during either degradational or aggradational bed evolution. Comparison of the results obtained by the extended model with experimental and field data, and numerical predictions validate that the proposed model can simulate grain sorting in river bends and duplicate the characteristics of meandering river and its development. The results illustrate that by using its control factors, the improved numerical model can be applied to simulate channel evolution under different scenarios and improve understanding of patterning processes.

  12. Wind laws for shockless initialization. [numerical forecasting model

    NASA Technical Reports Server (NTRS)

    Ghil, M.; Shkoller, B.

    1976-01-01

    A system of diagnostic equations for the velocity field, or wind laws, was derived for each of a number of models of large-scale atmospheric flow. The derivation in each case is mathematically exact and does not involve any physical assumptions not already present in the prognostic equations, such as nondivergence or vanishing of derivatives of the divergence. Therefore, initial states computed by solving these diagnostic equations should be compatible with the type of motion described by the prognostic equations of the model and should not generate initialization shocks when inserted into the model. Numerical solutions of the diagnostic system corresponding to a barotropic model are exhibited. Some problems concerning the possibility of implementing such a system in operational numerical weather prediction are discussed.

  13. Assessing Accuracy of Waveform Models against Numerical Relativity Waveforms

    NASA Astrophysics Data System (ADS)

    Pürrer, Michael; LVC Collaboration

    2016-03-01

    We compare currently available phenomenological and effective-one-body inspiral-merger-ringdown models for gravitational waves (GW) emitted from coalescing black hole binaries against a set of numerical relativity waveforms from the SXS collaboration. Simplifications are used in the construction of some waveform models, such as restriction to spins aligned with the orbital angular momentum, no inclusion of higher harmonics in the GW radiation, no modeling of eccentricity and the use of effective parameters to describe spin precession. In contrast, NR waveforms provide us with a high fidelity representation of the ``true'' waveform modulo small numerical errors. To focus on systematics we inject NR waveforms into zero noise for early advanced LIGO detector sensitivity at a moderately optimistic signal-to-noise ratio. We discuss where in the parameter space the above modeling assumptions lead to noticeable biases in recovered parameters.

  14. Numerical integration of population models satisfying conservation laws: NSFD methods.

    PubMed

    Mickens, Ronald E

    2007-10-01

    Population models arising in ecology, epidemiology and mathematical biology may involve a conservation law, i.e. the total population is constant. In addition to these cases, other situations may occur for which the total population, asymptotically in time, approach a constant value. Since it is rarely the situation that the equations of motion can be analytically solved to obtain exact solutions, it follows that numerical techniques are needed to provide solutions. However, numerical procedures are only valid if they can reproduce fundamental properties of the differential equations modeling the phenomena of interest. We show that for population models, involving a dynamical conservation law the use of nonstandard finite difference (NSFD) methods allows the construction of discretization schemes such that they are dynamically consistent (DC) with the original differential equations. The paper will briefly discuss the NSFD methodology, the concept of DC, and illustrate their application to specific problems for population models. PMID:22876826

  15. Accounting for Errors in Model Analysis Theory: A Numerical Approach

    NASA Astrophysics Data System (ADS)

    Sommer, Steven R.; Lindell, Rebecca S.

    2004-09-01

    By studying the patterns of a group of individuals' responses to a series of multiple-choice questions, researchers can utilize Model Analysis Theory to create a probability distribution of mental models for a student population. The eigenanalysis of this distribution yields information about what mental models the students possess, as well as how consistently they utilize said mental models. Although the theory considers the probabilistic distribution to be fundamental, there exists opportunities for random errors to occur. In this paper we will discuss a numerical approach for mathematically accounting for these random errors. As an example of this methodology, analysis of data obtained from the Lunar Phases Concept Inventory will be presented. Limitations and applicability of this numerical approach will be discussed.

  16. Numerical Detection of Ergodicity Breaking in a Glass Model

    NASA Astrophysics Data System (ADS)

    Sasaki, Munetaka; Hukushima, Koji

    2016-07-01

    We present a numerical method of directly detecting ergodicity breaking in glassy systems. To examine the validity of the proposed method, we applied it to the Biroli-Mézard glass model on a regular random graph. The obtained results clearly indicate that the model exhibits a dynamical transition with ergodicity breaking at an occupation density, that is consistent with the prediction obtained by the cavity method. The present method is applicable to glassy systems in finite dimensions.

  17. A numerical model of combustion in gasless pyrotechnic systems

    SciTech Connect

    Boddington, T.; Cottrell, A.; Laye, P.G.

    1989-04-01

    A simple numerical model has been developed for the propagation of a combustion wave through a gasless pyrotechnic mixture. A pseudo one-dimensional approach has been adopted in which an allowance for heat loss has been made by the inclusion of a simple Newtonian heat transfer term. Implementation requires a knowledge of the thermal and kinetic properties of the pyrotechnic mixture. The model reproduces the observed trends in burning velocity and predicts conditions leading to combustion failure.

  18. In search of improving the numerical accuracy of the k - ɛ model by a transformation to the k - τ model

    NASA Astrophysics Data System (ADS)

    Dijkstra, Yoeri M.; Uittenbogaard, Rob E.; van Kester, Jan A. Th. M.; Pietrzak, Julie D.

    2016-08-01

    This study presents a detailed comparison between the k - ɛ and k - τ turbulence models. It is demonstrated that the numerical accuracy of the k - ɛ turbulence model can be improved in geophysical and environmental high Reynolds number boundary layer flows. This is achieved by transforming the k - ɛ model to the k - τ model, so that both models use the same physical parametrisation. The models therefore only differ in numerical aspects. A comparison between the two models is carried out using four idealised one-dimensional vertical (1DV) test cases. The advantage of a 1DV model is that it is feasible to carry out convergence tests with grids containing 5 to several thousands of vertical layers. It is shown hat the k - τ model is more accurate than the k - ɛ model in stratified and non-stratified boundary layer flows for grid resolutions between 10 and 100 layers. The k - τ model also shows a more monotonous convergence behaviour than the k - ɛ model. The price for the improved accuracy is about 20% more computational time for the k - τ model, which is due to additional terms in the model equations. The improved performance of the k - τ model is explained by the linearity of τ in the boundary layer and the better defined boundary condition.

  19. Accurate modeling of light trapping in thin film silicon solar cells

    SciTech Connect

    Abouelsaood, A.A.; Ghannam, M.Y.; Poortmans, J.; Mertens, R.P.

    1997-12-31

    An attempt is made to assess the accuracy of the simplifying assumption of total retransmission of light inside the escape or loss cone which is made in many models of optical confinement in thin-film silicon solar cells. A closed form expression is derived for the absorption enhancement factor as a function of the refractive index in the low-absorption limit for a thin-film cell with a flat front surface and a lambertian back reflector. Numerical calculations are carried out to investigate similar systems with antireflection coatings, and the investigation of cells with a textured front surface is achieved using a modified version of the existing ray-tracing computer simulation program TEXTURE.

  20. TRIM—3D: a three-dimensional model for accurate simulation of shallow water flow

    USGS Publications Warehouse

    Casulli, Vincenzo; Bertolazzi, Enrico; Cheng, Ralph T.

    1993-01-01

    A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is discussed. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that the resulting algorithm permits the use of large time steps at a minimal computational cost. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers. The high computational efficiency of this method has made it possible to provide the fine details of circulation structure in complex regions that previous studies were unable to obtain. For proper interpretation of the model results suitable interactive graphics is also an essential tool.

  1. Mathematical, Constitutive and Numerical Modelling of Catastrophic Landslides and Related Phenomena

    NASA Astrophysics Data System (ADS)

    Pastor, M.; Fernández Merodo, J. A.; Herreros, M. I.; Mira, P.; González, E.; Haddad, B.; Quecedo, M.; Tonni, L.; Drempetic, V.

    2008-02-01

    Mathematical and numerical models are a fundamental tool for predicting the behaviour of geostructures and their interaction with the environment. The term “mathematical model” refers to a mathematical description of the more relevant physical phenomena which take place in the problem being analyzed. It is indeed a wide area including models ranging from the very simple ones for which analytical solutions can be obtained to those more complicated requiring the use of numerical approximations such as the finite element method. During the last decades, mathematical, constitutive and numerical models have been very much improved and today their use is widespread both in industry and in research. One special case is that of fast catastrophic landslides, for which simplified methods are not able to provide accurate solutions in many occasions. Moreover, many finite element codes cannot be applied for propagation of the mobilized mass. The purpose of this work is to present an overview of the different alternative mathematical and numerical models which can be applied to both the initiation and propagation mechanisms of fast catastrophic landslides and other related problems such as waves caused by landslides.

  2. Realistic numerical modelling of human head tissue exposure to electromagnetic waves from cellular phones

    NASA Astrophysics Data System (ADS)

    Scarella, Gilles; Clatz, Olivier; Lanteri, Stéphane; Beaume, Grégory; Oudot, Steve; Pons, Jean-Philippe; Piperno, Sergo; Joly, Patrick; Wiart, Joe

    2006-06-01

    The ever-rising diffusion of cellular phones has brought about an increased concern for the possible consequences of electromagnetic radiation on human health. Possible thermal effects have been investigated, via experimentation or simulation, by several research projects in the last decade. Concerning numerical modeling, the power absorption in a user's head is generally computed using discretized models built from clinical MRI data. The vast majority of such numerical studies have been conducted using Finite Differences Time Domain methods, although strong limitations of their accuracy are due to heterogeneity, poor definition of the detailed structures of head tissues (staircasing effects), etc. In order to propose numerical modeling using Finite Element or Discontinuous Galerkin Time Domain methods, reliable automated tools for the unstructured discretization of human heads are also needed. Results presented in this article aim at filling the gap between human head MRI images and the accurate numerical modeling of wave propagation in biological tissues and its thermal effects. To cite this article: G. Scarella et al., C. R. Physique 7 (2006).

  3. Numerical Simulation of Natural Convection of a Nanofluid in an Inclined Heated Enclosure Using Two-Phase Lattice Boltzmann Method: Accurate Effects of Thermophoresis and Brownian Forces

    NASA Astrophysics Data System (ADS)

    Ahmed, Mahmoud; Eslamian, Morteza

    2015-07-01

    Laminar natural convection in differentially heated ( β = 0°, where β is the inclination angle), inclined ( β = 30° and 60°), and bottom-heated ( β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.

  4. Numerical Simulation of Natural Convection of a Nanofluid in an Inclined Heated Enclosure Using Two-Phase Lattice Boltzmann Method: Accurate Effects of Thermophoresis and Brownian Forces.

    PubMed

    Ahmed, Mahmoud; Eslamian, Morteza

    2015-12-01

    Laminar natural convection in differentially heated (β = 0°, where β is the inclination angle), inclined (β = 30° and 60°), and bottom-heated (β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number. PMID:26183389

  5. Numerical modeling of active separation control by synthetic jets

    NASA Astrophysics Data System (ADS)

    Aram, Shawn

    Zero-Net Mass-Flux (ZNMF) actuators or synthetic jet actuators are versatile micro scale devices with numerous applications in the field of fluid mechanics. The primary focus of the current work is to use time-accurate simulations to study the interaction of these jets with cross flows and to optimize their performance for the control of boundary layer separation. This study consists of four parts. In the first part, a class of phenomenology-based models is proposed to reproduce the flow associated with synthetic jets in grazing flows and simplify the task of ZNMF-based flow control simulations. The proposed models have a non-uniform jet velocity profile with only two spatial degrees of freedom and a uniform slip velocity on the slot-flow boundary. A comparison of key integral quantities associated with the momentum, energy and vorticity fluxes shows that the models with a non-uniform jet velocity during the expulsion phase and uniform jet velocity during the ingestion phase can predict these quantities with good accuracy, whereas a simple plug flow model with a zero slip and uniform jet velocity under-predicts these three quantities during the expulsion phase. Based on our initial analysis, three of the simplest models are selected for further study, including an assessment of their performance for a canonical separated flow at different forcing frequencies. A key finding is that a simple plug-flow type model can predict incorrect trends for separation reduction with the jet frequency. A preliminary attempt is also made to provide empirical closure to these models. The effect of synthetic jets orientation on its interaction with a zero pressure gradient laminar boundary layer is explored in the second part. A rectangular slot is chosen in this study and streamwise and spanwise orientations of this slot are examined. The orientation of the slot is found to have a significant impact on its interaction with the boundary layer. The dominant feature in the streamwise

  6. Surrogate models of precessing numerical relativity gravitational waveforms for use in parameter estimation

    NASA Astrophysics Data System (ADS)

    Blackman, Jonathan; Field, Scott; Galley, Chad; Hemberger, Daniel; Scheel, Mark; Schmidt, Patricia; Smith, Rory; SXS Collaboration Collaboration

    2016-03-01

    We are now in the advanced detector era of gravitational wave astronomy, and the merger of two black holes (BHs) is one of the most promising sources of gravitational waves that could be detected on earth. To infer the BH masses and spins, the observed signal must be compared to waveforms predicted by general relativity for millions of binary configurations. Numerical relativity (NR) simulations can produce accurate waveforms, but are prohibitively expensive to use for parameter estimation. Other waveform models are fast enough but may lack accuracy in portions of the parameter space. Numerical relativity surrogate models attempt to rapidly predict the results of a NR code with a small or negligible modeling error, after being trained on a set of input waveforms. Such surrogate models are ideal for parameter estimation, as they are both fast and accurate, and have already been built for the case of non-spinning BHs. Using 250 input waveforms, we build a surrogate model for waveforms from the Spectral Einstein Code (SpEC) for a subspace of precessing systems.

  7. Global climate modeling of Saturn's atmosphere: fast and accurate radiative transfer and exploration of seasonal variability

    NASA Astrophysics Data System (ADS)

    Guerlet, Sandrine; Spiga, A.; Sylvestre, M.; Fouchet, T.; Millour, E.; Wordsworth, R.; Leconte, J.; Forget, F.

    2013-10-01

    Recent observations of Saturn’s stratospheric thermal structure and composition revealed new phenomena: an equatorial oscillation in temperature, reminiscent of the Earth's Quasi-Biennal Oscillation ; strong meridional contrasts of hydrocarbons ; a warm “beacon” associated with the powerful 2010 storm. Those signatures cannot be reproduced by 1D photochemical and radiative models and suggest that atmospheric dynamics plays a key role. This motivated us to develop a complete 3D General Circulation Model (GCM) for Saturn, based on the LMDz hydrodynamical core, to explore the circulation, seasonal variability, and wave activity in Saturn's atmosphere. In order to closely reproduce Saturn's radiative forcing, a particular emphasis was put in obtaining fast and accurate radiative transfer calculations. Our radiative model uses correlated-k distributions and spectral discretization tailored for Saturn's atmosphere. We include internal heat flux, ring shadowing and aerosols. We will report on the sensitivity of the model to spectral discretization, spectroscopic databases, and aerosol scenarios (varying particle sizes, opacities and vertical structures). We will also discuss the radiative effect of the ring shadowing on Saturn's atmosphere. We will present a comparison of temperature fields obtained with this new radiative equilibrium model to that inferred from Cassini/CIRS observations. In the troposphere, our model reproduces the observed temperature knee caused by heating at the top of the tropospheric aerosol layer. In the lower stratosphere (20mbar modeled temperature is 5-10K too low compared to measurements. This suggests that processes other than radiative heating/cooling by trace

  8. Analysis and modeling of subgrid scalar mixing using numerical data

    NASA Technical Reports Server (NTRS)

    Girimaji, Sharath S.; Zhou, YE

    1995-01-01

    Direct numerical simulations (DNS) of passive scalar mixing in isotropic turbulence is used to study, analyze and, subsequently, model the role of small (subgrid) scales in the mixing process. In particular, we attempt to model the dissipation of the large scale (supergrid) scalar fluctuations caused by the subgrid scales by decomposing it into two parts: (1) the effect due to the interaction among the subgrid scales; and (2) the effect due to interaction between the supergrid and the subgrid scales. Model comparisons with DNS data show good agreement. This model is expected to be useful in the large eddy simulations of scalar mixing and reaction.

  9. A numerical cloud model for the support of laboratory experimentation

    NASA Technical Reports Server (NTRS)

    Hagen, D. E.

    1979-01-01

    A numerical cloud model is presented which can describe the evolution of a cloud starting from moist aerosol-laden air through the diffusional growth regime. The model is designed for the direct support of cloud chamber laboratory experimentation, i.e., experiment preparation, real-time control and data analysis. In the model the thermodynamics is uncoupled from the droplet growth processes. Analytic solutions for the cloud droplet growth equations are developed which can be applied in most laboratory situations. The model is applied to a variety of representative experiments.

  10. Accurate modeling of cache replacement policies in a Data-Grid.

    SciTech Connect

    Otoo, Ekow J.; Shoshani, Arie

    2003-01-23

    Caching techniques have been used to improve the performance gap of storage hierarchies in computing systems. In data intensive applications that access large data files over wide area network environment, such as a data grid,caching mechanism can significantly improve the data access performance under appropriate workloads. In a data grid, it is envisioned that local disk storage resources retain or cache the data files being used by local application. Under a workload of shared access and high locality of reference, the performance of the caching techniques depends heavily on the replacement policies being used. A replacement policy effectively determines which set of objects must be evicted when space is needed. Unlike cache replacement policies in virtual memory paging or database buffering, developing an optimal replacement policy for data grids is complicated by the fact that the file objects being cached have varying sizes and varying transfer and processing costs that vary with time. We present an accurate model for evaluating various replacement policies and propose a new replacement algorithm referred to as ''Least Cost Beneficial based on K backward references (LCB-K).'' Using this modeling technique, we compare LCB-K with various replacement policies such as Least Frequently Used (LFU), Least Recently Used (LRU), Greedy DualSize (GDS), etc., using synthetic and actual workload of accesses to and from tertiary storage systems. The results obtained show that (LCB-K) and (GDS) are the most cost effective cache replacement policies for storage resource management in data grids.

  11. An Approach to More Accurate Model Systems for Purple Acid Phosphatases (PAPs).

    PubMed

    Bernhardt, Paul V; Bosch, Simone; Comba, Peter; Gahan, Lawrence R; Hanson, Graeme R; Mereacre, Valeriu; Noble, Christopher J; Powell, Annie K; Schenk, Gerhard; Wadepohl, Hubert

    2015-08-01

    The active site of mammalian purple acid phosphatases (PAPs) have a dinuclear iron site in two accessible oxidation states (Fe(III)2 and Fe(III)Fe(II)), and the heterovalent is the active form, involved in the regulation of phosphate and phosphorylated metabolite levels in a wide range of organisms. Therefore, two sites with different coordination geometries to stabilize the heterovalent active form and, in addition, with hydrogen bond donors to enable the fixation of the substrate and release of the product, are believed to be required for catalytically competent model systems. Two ligands and their dinuclear iron complexes have been studied in detail. The solid-state structures and properties, studied by X-ray crystallography, magnetism, and Mössbauer spectroscopy, and the solution structural and electronic properties, investigated by mass spectrometry, electronic, nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), and Mössbauer spectroscopies and electrochemistry, are discussed in detail in order to understand the structures and relative stabilities in solution. In particular, with one of the ligands, a heterovalent Fe(III)Fe(II) species has been produced by chemical oxidation of the Fe(II)2 precursor. The phosphatase reactivities of the complexes, in particular, also of the heterovalent complex, are reported. These studies include pH-dependent as well as substrate concentration dependent studies, leading to pH profiles, catalytic efficiencies and turnover numbers, and indicate that the heterovalent diiron complex discussed here is an accurate PAP model system. PMID:26196255

  12. Numerical and experimental modelling of the radial compressor stage

    NASA Astrophysics Data System (ADS)

    Syka, Tomáš; Matas, Richard; LuÅáček, Ondřej

    2016-06-01

    This article deals with the description of the numerical and experimental model of the new compressor stage designed for process centrifugal compressors. It's the first member of the new stages family developed to achieve the state of the art thermodynamic parameters. This stage (named RTK01) is designed for high flow coefficient with 3D shaped impeller blades. Some interesting findings were gained during its development. The article is focused mainly on some interesting aspects of the development methodology and numerical simulations improvement, not on the specific stage properties. Conditions and experimental equipment, measured results and their comparison with ANSYS CFX and NUMECA FINE/Turbo CFD simulations are described.

  13. Numerical modelling of multimode fibre-optic communication lines

    NASA Astrophysics Data System (ADS)

    Sidelnikov, O. S.; Sygletos, S.; Ferreira, F.; Fedoruk, M. P.

    2016-01-01

    The results of numerical modelling of nonlinear propagation of an optical signal in multimode fibres with a small differential group delay are presented. It is found that the dependence of the error vector magnitude (EVM) on the differential group delay can be reduced by increasing the number of ADC samples per symbol in the numerical implementation of the differential group delay compensation algorithm in the receiver. The possibility of using multimode fibres with a small differential group delay for data transmission in modern digital communication systems is demonstrated. It is shown that with increasing number of modes the strong coupling regime provides a lower EVM level than the weak coupling one.

  14. Numerical modeling and simulation of flow through porous fabric surface

    NASA Astrophysics Data System (ADS)

    Gao, Zheng; Li, Xiaolin

    We designed a numerical scheme to model the permeability of the fabric surface in an incompressible fluid by coupling the projection method with the Ghost Fluid Method in the front tracking framework. The pressure jump condition is obtained by adding a source term to the Poisson's equation in the projection step without modifications on its coefficients. The numerical results suggest that this approach has the ability to reproduce the relationship between pressure drop and relative velocity observed in the experiments. We use this algorithm to study the effects of porosity on the drag force and stability of parachutes during its inflation and deceleration.

  15. Numerical modeling of continuous flow microwave heating: a critical comparison of COMSOL and ANSYS.

    PubMed

    Salvi, D; Boldor, Dorin; Ortego, J; Aita, G M; Sabliov, C M

    2010-01-01

    Numerical models were developed to simulate temperature profiles in Newtonian fluids during continuous flow microwave heating by one way coupling electromagnetism, fluid flow, and heat transport in ANSYS 8.0 and COMSOL Multiphysics v3.4. Comparison of the results from the COMSOL model with the results from a pre-developed and validated ANSYS model ensured accuracy of the COMSOL model. Prediction of power Loss by both models was in close agreement (5-13% variation) and the predicted temperature profiles were similar. COMSOL provided a flexible model setup whereas ANSYS required coupling incompatible elements to transfer load between electromagnetic, fluid flow, and heat transport modules. Overall, both software packages provided the ability to solve multiphysics phenomena accurately. PMID:21721467

  16. ANALYZING NUMERICAL ERRORS IN DOMAIN HEAT TRANSPORT MODELS USING THE CVBEM.

    USGS Publications Warehouse

    Hromadka, T.V., II

    1985-01-01

    Besides providing an exact solution for steady-state heat conduction processes (Laplace Poisson equations), the CVBEM (complex variable boundary element method) can be used for the numerical error analysis of domain model solutions. For problems where soil water phase change latent heat effects dominate the thermal regime, heat transport can be approximately modeled as a time-stepped steady-state condition in the thawed and frozen regions, respectively. The CVBEM provides an exact solution of the two-dimensional steady-state heat transport problem, and also provides the error in matching the prescribed boundary conditions by the development of a modeling error distribution or an approximative boundary generation. This error evaluation can be used to develop highly accurate CVBEM models of the heat transport process, and the resulting model can be used as a test case for evaluating the precision of domain models based on finite elements or finite differences.

  17. Numerical weather prediction model tuning via ensemble prediction system

    NASA Astrophysics Data System (ADS)

    Jarvinen, H.; Laine, M.; Ollinaho, P.; Solonen, A.; Haario, H.

    2011-12-01

    This paper discusses a novel approach to tune predictive skill of numerical weather prediction (NWP) models. NWP models contain tunable parameters which appear in parameterizations schemes of sub-grid scale physical processes. Currently, numerical values of these parameters are specified manually. In a recent dual manuscript (QJRMS, revised) we developed a new concept and method for on-line estimation of the NWP model parameters. The EPPES ("Ensemble prediction and parameter estimation system") method requires only minimal changes to the existing operational ensemble prediction infra-structure and it seems very cost-effective because practically no new computations are introduced. The approach provides an algorithmic decision making tool for model parameter optimization in operational NWP. In EPPES, statistical inference about the NWP model tunable parameters is made by (i) generating each member of the ensemble of predictions using different model parameter values, drawn from a proposal distribution, and (ii) feeding-back the relative merits of the parameter values to the proposal distribution, based on evaluation of a suitable likelihood function against verifying observations. In the presentation, the method is first illustrated in low-order numerical tests using a stochastic version of the Lorenz-95 model which effectively emulates the principal features of ensemble prediction systems. The EPPES method correctly detects the unknown and wrongly specified parameters values, and leads to an improved forecast skill. Second, results with an atmospheric general circulation model based ensemble prediction system show that the NWP model tuning capacity of EPPES scales up to realistic models and ensemble prediction systems. Finally, a global top-end NWP model tuning exercise with preliminary results is published.

  18. Towards a More Accurate Solar Power Forecast By Improving NWP Model Physics

    NASA Astrophysics Data System (ADS)

    Köhler, C.; Lee, D.; Steiner, A.; Ritter, B.

    2014-12-01

    The growing importance and successive expansion of renewable energies raise new challenges for decision makers, transmission system operators, scientists and many more. In this interdisciplinary field, the role of Numerical Weather Prediction (NWP) is to reduce the uncertainties associated with the large share of weather-dependent power sources. Precise power forecast, well-timed energy trading on the stock market, and electrical grid stability can be maintained. The research project EWeLiNE is a collaboration of the German Weather Service (DWD), the Fraunhofer Institute (IWES) and three German transmission system operators (TSOs). Together, wind and photovoltaic (PV) power forecasts shall be improved by combining optimized NWP and enhanced power forecast models. The conducted work focuses on the identification of critical weather situations and the associated errors in the German regional NWP model COSMO-DE. Not only the representation of the model cloud characteristics, but also special events like Sahara dust over Germany and the solar eclipse in 2015 are treated and their effect on solar power accounted for. An overview of the EWeLiNE project and results of the ongoing research will be presented.

  19. Recent numerical and algorithmic advances within the volume tracking framework for modeling interfacial flows

    SciTech Connect

    François, Marianne M.

    2015-05-28

    A review of recent advances made in numerical methods and algorithms within the volume tracking framework is presented. The volume tracking method, also known as the volume-of-fluid method has become an established numerical approach to model and simulate interfacial flows. Its advantage is its strict mass conservation. However, because the interface is not explicitly tracked but captured via the material volume fraction on a fixed mesh, accurate estimation of the interface position, its geometric properties and modeling of interfacial physics in the volume tracking framework remain difficult. Several improvements have been made over the last decade to address these challenges. In this study, the multimaterial interface reconstruction method via power diagram, curvature estimation via heights and mean values and the balanced-force algorithm for surface tension are highlighted.

  20. Recent numerical and algorithmic advances within the volume tracking framework for modeling interfacial flows

    DOE PAGESBeta

    François, Marianne M.

    2015-05-28

    A review of recent advances made in numerical methods and algorithms within the volume tracking framework is presented. The volume tracking method, also known as the volume-of-fluid method has become an established numerical approach to model and simulate interfacial flows. Its advantage is its strict mass conservation. However, because the interface is not explicitly tracked but captured via the material volume fraction on a fixed mesh, accurate estimation of the interface position, its geometric properties and modeling of interfacial physics in the volume tracking framework remain difficult. Several improvements have been made over the last decade to address these challenges.more » In this study, the multimaterial interface reconstruction method via power diagram, curvature estimation via heights and mean values and the balanced-force algorithm for surface tension are highlighted.« less

  1. Numerical modeling of magnetic induction tomography using the impedance method.

    PubMed

    Ramos, Airton; Wolff, Julia G B

    2011-02-01

    This article discusses the impedance method in the forward calculation in magnetic induction tomography (MIT). Magnetic field and eddy current distributions were obtained numerically for a sphere in the field of a coil and were compared with an analytical model. Additionally, numerical and experimental results for phase sensitivity in MIT were obtained and compared for a cylindrical object in a planar array of sensors. The results showed that the impedance method provides results that agree very well with reality in the frequency range from 100 kHz to 20 MHz and for low conductivity objects (10 S/m or less). This opens the possibility of using this numerical approach in image reconstruction in MIT. PMID:21229327

  2. Numerical Modeling of Plasmas in which Nanoparticles Nucleate and Grow

    NASA Astrophysics Data System (ADS)

    Agarwal, Pulkit

    Dusty plasmas refer to a broad category of plasmas. Plasmas such as argon-silane plasmas in which particles nucleate and grow are widely used in semiconductor processing and nanoparticle manufacturing. In such dusty plasmas, the plasma and the dust particles are strongly coupled to each other. This means that the presence of dust particles significantly affects the plasma properties and vice versa. Therefore such plasmas are highly complex and they involve several interesting phenomena like nucleation, growth, coagulation, charging and transport. Dusty plasma afterglow is equally complex and important. Especially, residual charge on dust particles carries special significance in several industrial and laboratory situations and it has not been well understood. A 1D numerical model was developed of a low-pressure capacitively-coupled plasma in which nanoparticles nucleate and grow. Polydispersity of particle size distributions can be important in such plasmas. Sectional method, which is well known in aerosol literature, was used to model the evolving particle size and charge distribution. The numerical model is transient and one-dimensional and self consistently accounts for nucleation, growth, coagulation, charging and transport of dust particles and their effect on plasma properties. Nucleation and surface growth rates were treated as input parameters. Results were presented in terms of particle size and charge distribution with an emphasis on importance of polydispersity in particle growth and dynamics. Results of numerical model were compared with experimental measurements of light scattering and light emission from plasma. Reasonable qualitative agreement was found with some discrepancies. Pulsed dusty plasma can be important for controlling particle production and/or unwanted particle deposition. In this case, it is important to understand the behavior of the particle cloud during the afterglow following plasma turn-off. Numerical model was modified to self

  3. Modern perspectives on numerical modeling of cardiac pacemaker cell.

    PubMed

    Maltsev, Victor A; Yaniv, Yael; Maltsev, Anna V; Stern, Michael D; Lakatta, Edward G

    2014-01-01

    Cardiac pacemaking is a complex phenomenon that is still not completely understood. Together with experimental studies, numerical modeling has been traditionally used to acquire mechanistic insights in this research area. This review summarizes the present state of numerical modeling of the cardiac pacemaker, including approaches to resolve present paradoxes and controversies. Specifically we discuss the requirement for realistic modeling to consider symmetrical importance of both intracellular and cell membrane processes (within a recent "coupled-clock" theory). Promising future developments of the complex pacemaker system models include the introduction of local calcium control, mitochondria function, and biochemical regulation of protein phosphorylation and cAMP production. Modern numerical and theoretical methods such as multi-parameter sensitivity analyses within extended populations of models and bifurcation analyses are also important for the definition of the most realistic parameters that describe a robust, yet simultaneously flexible operation of the coupled-clock pacemaker cell system. The systems approach to exploring cardiac pacemaker function will guide development of new therapies such as biological pacemakers for treating insufficient cardiac pacemaker function that becomes especially prevalent with advancing age. PMID:24748434

  4. An educational interactive numerical model of the Chesapeake Bay

    NASA Astrophysics Data System (ADS)

    Crouch, Jessica R.; Shen, Yuzhong; Austin, Jay A.; Dinniman, Michael S.

    2008-03-01

    Scientists use sophisticated numerical models to study ocean circulation and other physical systems, but the complex nature of such simulation software generally make them inaccessible to non-expert users. In principle, however, numerical models represent an ideal teaching tool, allowing users to model the response of a complex system to changing conditions. We have designed an interactive simulation program that allows a casual user to control the forcing conditions applied to a numerical ocean circulation model using a graphical user interface, and to observe the results in real-time. This program is implemented using the Regional Ocean Modeling System (ROMS) applied to the Chesapeake Bay. Portions of ROMS were modified to facilitate user interaction, and the user interface and visualization capabilities represent new software development. The result is an interactive simulation of the Chesapeake Bay environment that allows a user to control wind speed and direction along with the rate of flow from the rivers that feed the bay. The simulation provides a variety of visualizations of the response of the system, including water height, velocity, and salinity across horizontal and vertical planes.

  5. Modern Perspectives on Numerical Modeling of Cardiac Pacemaker Cell

    PubMed Central

    Maltsev, Victor A.; Yaniv, Yael; Maltsev, Anna V.; Stern, Michael D.; Lakatta, Edward G.

    2015-01-01

    Cardiac pacemaking is a complex phenomenon that is still not completely understood. Together with experimental studies, numerical modeling has been traditionally used to acquire mechanistic insights in this research area. This review summarizes the present state of numerical modeling of the cardiac pacemaker, including approaches to resolve present paradoxes and controversies. Specifically we discuss the requirement for realistic modeling to consider symmetrical importance of both intracellular and cell membrane processes (within a recent “coupled-clock” theory). Promising future developments of the complex pacemaker system models include the introduction of local calcium control, mitochondria function, and biochemical regulation of protein phosphorylation and cAMP production. Modern numerical and theoretical methods such as multi-parameter sensitivity analyses within extended populations of models and bifurcation analyses are also important for the definition of the most realistic parameters that describe a robust, yet simultaneously flexible operation of the coupled-clock pacemaker cell system. The systems approach to exploring cardiac pacemaker function will guide development of new therapies, such as biological pacemakers for treating insufficient cardiac pacemaker function that becomes especially prevalent with advancing age. PMID:24748434

  6. An accurate parameterization of the radiative properties of water clouds suitable for use in climate models

    SciTech Connect

    Hu, Y.X.; Stamnes, K. )

    1993-04-01

    A new parameterization of the radiative Properties of water clouds is presented. Cloud optical properties for valent radius throughout the solar and both solar and terrestrial spectra and for cloud equivalent radii in the range 2.5-60 [mu]m are calculated from Mie theory. It is found that cloud optical properties depend mainly on equivalent radius throughout the solar and terrestrial spectrum and are insensitive to the details of the droplet size distribution, such as shape, skewness, width, and modality (single or bimodal). This suggests that in cloud models, aimed at predicting the evolution of cloud microphysics with climate change, it is sufficient to determine the third and the second moments of the size distribution (the ratio of which determines the equivalent radius). It also implies that measurements of the cloud liquid water content and the extinction coefficient are sufficient to determine cloud optical properties experimentally (i.e., measuring the complete droplet size distribution is not required). Based on the detailed calculations, the optical properties are parameterized as a function of cloud liquid water path and equivalent cloud droplet radius by using a nonlinear least-square fitting. The parameterization is performed separately for the range of radii 2.5-12 [mu]m, 12-30,[mu]m, and 30-60 [mu]m. Cloud heating and cooling rates are computed from this parameterization by using a comprehensive radiation model. Comparison with similar results obtained from exact Mie scattering calculations shows that this parameterization yields very accurate results and that it is several thousand times faster. This parameterization separates the dependence of cloud optical properties on droplet size and liquid water content, and is suitable for inclusion into climate models. 22 refs., 7 figs., 6 tabs.

  7. Numerical Modeling of a Spherical Buoy Moored by a Cable in Three Dimensions

    NASA Astrophysics Data System (ADS)

    Zhu, Xiangqian; Yoo, Wan-Suk

    2016-04-01

    Floating facilities have been studied based on the static analysis of mooring cables over the past decades. To analyze the floating system of a spherical buoy moored by a cable with a higher accuracy than before, the dynamics of the cables are considered in the construction of the numerical modeling. The cable modeling is established based on a new element frame through which the hydrodynamic loads are expressed efficiently. The accuracy of the cable modeling is verified with an experiment that is conducted by a catenary chain moving in a water tank. In addition, the modeling of a spherical buoy is established with respect to a spherical coordinate in three dimensions, which can suffers the gravity, the variable buoyancy and Froude-Krylov loads. Finally, the numerical modeling for the system of a spherical buoy moored by a cable is established, and a virtual simulation is proceeded with the X- and Y-directional linear waves and the X-directional current. The comparison with the commercial simulation code ProteusDS indicates that the system is accurately analyzed by the numerical modeling. The tensions within the cable, the motions of the system, and the relationship between the motions and waves are illustrated according to the defined sea state. The dynamics of the cables should be considered in analyzing the floating system of a spherical buoy moored by a cable.

  8. Numerical modeling of a spherical buoy moored by a cable in three dimensions

    NASA Astrophysics Data System (ADS)

    Zhu, Xiangqian; Yoo, Wan-Suk

    2016-05-01

    Floating facilities have been studied based on the static analysis of mooring cables over the past decades. To analyze the floating system of a spherical buoy moored by a cable with a higher accuracy than before, the dynamics of the cables are considered in the construction of the numerical modeling. The cable modeling is established based on a new element frame through which the hydrodynamic loads are expressed efficiently. The accuracy of the cable modeling is verified with an experiment that is conducted by a catenary chain moving in a water tank. In addition, the modeling of a spherical buoy is established with respect to a spherical coordinate in three dimensions, which can suffers the gravity, the variable buoyancy and Froude-Krylov loads. Finally, the numerical modeling for the system of a spherical buoy moored by a cable is established, and a virtual simulation is proceeded with the X- and Y-directional linear waves and the X-directional current. The comparison with the commercial simulation code ProteusDS indicates that the system is accurately analyzed by the numerical modeling. The tensions within the cable, the motions of the system, and the relationship between the motions and waves are illustrated according to the defined sea state. The dynamics of the cables should be considered in analyzing the floating system of a spherical buoy moored by a cable.

  9. Modeling of Non-Gravitational Forces for Precise and Accurate Orbit Determination

    NASA Astrophysics Data System (ADS)

    Hackel, Stefan; Gisinger, Christoph; Steigenberger, Peter; Balss, Ulrich; Montenbruck, Oliver; Eineder, Michael

    2014-05-01

    Remote sensing satellites support a broad range of scientific and commercial applications. The two radar imaging satellites TerraSAR-X and TanDEM-X provide spaceborne Synthetic Aperture Radar (SAR) and interferometric SAR data with a very high accuracy. The precise reconstruction of the satellite's trajectory is based on the Global Positioning System (GPS) measurements from a geodetic-grade dual-frequency Integrated Geodetic and Occultation Receiver (IGOR) onboard the spacecraft. The increasing demand for precise radar products relies on validation methods, which require precise and accurate orbit products. An analysis of the orbit quality by means of internal and external validation methods on long and short timescales shows systematics, which reflect deficits in the employed force models. Following the proper analysis of this deficits, possible solution strategies are highlighted in the presentation. The employed Reduced Dynamic Orbit Determination (RDOD) approach utilizes models for gravitational and non-gravitational forces. A detailed satellite macro model is introduced to describe the geometry and the optical surface properties of the satellite. Two major non-gravitational forces are the direct and the indirect Solar Radiation Pressure (SRP). The satellite TerraSAR-X flies on a dusk-dawn orbit with an altitude of approximately 510 km above ground. Due to this constellation, the Sun almost constantly illuminates the satellite, which causes strong across-track accelerations on the plane rectangular to the solar rays. The indirect effect of the solar radiation is called Earth Radiation Pressure (ERP). This force depends on the sunlight, which is reflected by the illuminated Earth surface (visible spectra) and the emission of the Earth body in the infrared spectra. Both components of ERP require Earth models to describe the optical properties of the Earth surface. Therefore, the influence of different Earth models on the orbit quality is assessed. The scope of

  10. Numerical modeling of pulsatile turbulent flow in stenotic vessels.

    PubMed

    Varghese, Sonu S; Frankel, Steven H

    2003-08-01

    Pulsatile turbulent flow in stenotic vessels has been numerically modeled using the Reynolds-averaged Navier-Stokes equation approach. The commercially available computational fluid dynamics code (CFD), FLUENT, has been used for these studies. Two different experiments were modeled involving pulsatile flow through axisymmetric stenoses. Four different turbulence models were employed to study their influence on the results. It was found that the low Reynolds number k-omega turbulence model was in much better agreement with previous experimental measurements than both the low and high Reynolds number versions of the RNG (renormalization-group theory) k-epsilon turbulence model and the standard k-epsilon model, with regard to predicting the mean flow distal to the stenosis including aspects of the vortex shedding process and the turbulent flow field. All models predicted a wall shear stress peak at the throat of the stenosis with minimum values observed distal to the stenosis where flow separation occurred. PMID:12968569

  11. Comparison of Numerical Model Estimates of Carbon Fluxes Across Northern Eurasia

    NASA Astrophysics Data System (ADS)

    Rawlins, M. A.; Lettenmaier, D. P.; McDonald, K. C.

    2012-12-01

    Northern Eurasia is characterized by large carbon stocks and fluxes, both of which participate in a feedback to warming through the release of carbon dioxide and methane from permafrost soils and thermokarst lakes. Relative to North America, the carbon cycle of the Eurasian pan-Arctic is poorly understood. Accurate spatial estimates of quantities such as gross primary productivity (GPP) are difficult to derive given the sparsity of in situ measurements across the region. Models also tend to overpredict GPP under cold conditions. We use data from a set of numerical models to estimate regional GPP and net ecosystem exchange (NEE) across the North Eurasian Earth Science Partnership Initiative (NEESPI) region. The model set includes a modified version of the Soil Thermal Model-Terrestrial Ecosystem Model; the FAREAST model which simulates forest demographics and dynamics as a function of climate and nutrient availability; and a model which leverages remotely sensed leaf area and surface meteorology from reanalysis. Drawing from the gridded simulated estimates we examine the distributions of annual GPP and NEE, their spatial patterns, and interannual variability. The models show small differences in regional mean GPP; differences arise largely at the lower and upper ends of the distribution. Data characterizing the extent of fire is used to examine interannual variations and differences between the model estimates. Through analysis of available numerical model data we advance understanding of the magnitude, variability, and associated uncertainties in northern Eurasia's carbon stocks and fluxes.

  12. Magnetoacoustic tomography with magnetic induction (MAT-MI) for breast tumor imaging: numerical modeling and simulation

    NASA Astrophysics Data System (ADS)

    Zhou, Lian; Li, Xu; Zhu, Shanan; He, Bin

    2011-04-01

    Magnetoacoustic tomography with magnetic induction (MAT-MI) was recently introduced as a noninvasive electrical conductivity imaging approach with high spatial resolution close to ultrasound imaging. In this study, we test the feasibility of the MAT-MI method for breast tumor imaging using numerical modeling and computer simulation. Using the finite element method, we have built three-dimensional numerical breast models with varieties of embedded tumors for this simulation study. In order to obtain an accurate and stable forward solution that does not have numerical errors caused by singular MAT-MI acoustic sources at conductivity boundaries, we first derive an integral forward method for calculating MAT-MI acoustic sources over the entire imaging volume. An inverse algorithm for reconstructing the MAT-MI acoustic source is also derived with spherical measurement aperture, which simulates a practical setup for breast imaging. With the numerical breast models, we have conducted computer simulations under different imaging parameter setups and all the results suggest that breast tumors that have large conductivity in contrast to the surrounding tissue as reported in the literature may be readily detected in the reconstructed MAT-MI images. In addition, our simulations also suggest that the sensitivity of imaging breast tumors using the presented MAT-MI setup depends more on the tumor location and the conductivity contrast between the tumor and its surrounding tissue than on the tumor size.

  13. A Mechanistic Stochastic Ricker Model: Analytical and Numerical Investigations

    NASA Astrophysics Data System (ADS)

    Gadrich, Tamar; Katriel, Guy

    The Ricker model is one of the simplest and most widely-used ecological models displaying complex nonlinear dynamics. We study a discrete-time population model, which is derived from simple assumptions concerning individual organisms’ behavior, using the “site-based” approach, developed by Brännström, Broomhead, Johansson and Sumpter. In the large-population limit the model converges to the Ricker model, and can thus be considered a mechanistic version of the Ricker model, derived from basic ecological principles, and taking into account the demographic stochasticity inherent to finite populations. We employ several analytical and precise numerical methods to study the model, showing how each approach contributes to understanding the model’s dynamics. Expressing the model as a Markov chain, we employ the concept of quasi-stationary distributions, which are computed numerically, and used to examine the interaction between complex deterministic dynamics and demographic stochasticity, as well as to calculate mean times to extinction. A Gaussian Markov chain approximation is used to obtain quantitative asymptotic approximations for the size of fluctuations of the stochastic model’s time series around the deterministic trajectory, and for the correlations between successive fluctuations. Results of these approximations are compared to results obtained from quasi-stationary distributions and from direct simulations, and are shown to be in good agreement.

  14. Numerical model for organic light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Tutiš, E.; Bussac, M. N.; Masenelli, B.; Carrard, M.; Zuppiroli, L.

    2001-01-01

    An extensive numerical model recently developed for the multilayer organic light-emitting diode is described and applied to a set of real devices. The model contains a detailed description of electrical contacts including dipolar layer formation, thermionic and tunneling injection, space charge effects, field dependent mobilities and recombination processes. The model is applied to simulate several single layer devices and the family of bilayer devices made in our group. It provides insight into the energy level shifts, internal electric fields and charge distribution (and consequently recombination) throughout the device. Finally, the analysis is extended to the optimization of bilayer device.

  15. Preliminary numerical analysis of improved gas chromatograph model

    NASA Technical Reports Server (NTRS)

    Woodrow, P. T.

    1973-01-01

    A mathematical model for the gas chromatograph was developed which incorporates the heretofore neglected transport mechanisms of intraparticle diffusion and rates of adsorption. Because a closed-form analytical solution to the model does not appear realizable, techniques for the numerical solution of the model equations are being investigated. Criteria were developed for using a finite terminal boundary condition in place of an infinite boundary condition used in analytical solution techniques. The class of weighted residual methods known as orthogonal collocation is presently being investigated and appears promising.

  16. Numerical Modeling of Unsteady Thermofluid Dynamics in Cryogenic Systems

    NASA Technical Reports Server (NTRS)

    Majumdar, Alok

    2003-01-01

    A finite volume based network analysis procedure has been applied to model unsteady flow without and with heat transfer. Liquid has been modeled as compressible fluid where the compressibility factor is computed from the equation of state for a real fluid. The modeling approach recognizes that the pressure oscillation is linked with the variation of the compressibility factor; therefore, the speed of sound does not explicitly appear in the governing equations. The numerical results of chilldown process also suggest that the flow and heat transfer are strongly coupled. This is evident by observing that the mass flow rate during 90-second chilldown process increases by factor of ten.

  17. Temperature sensitivity of a numerical pollen forecast model

    NASA Astrophysics Data System (ADS)

    Scheifinger, Helfried; Meran, Ingrid; Szabo, Barbara; Gallaun, Heinz; Natali, Stefano; Mantovani, Simone

    2016-04-01

    Allergic rhinitis has become a global health problem especially affecting children and adolescence. Timely and reliable warning before an increase of the atmospheric pollen concentration means a substantial support for physicians and allergy suffers. Recently developed numerical pollen forecast models have become means to support the pollen forecast service, which however still require refinement. One of the problem areas concerns the correct timing of the beginning and end of the flowering period of the species under consideration, which is identical with the period of possible pollen emission. Both are governed essentially by the temperature accumulated before the entry of flowering and during flowering. Phenological models are sensitive to a bias of the temperature. A mean bias of -1°C of the input temperature can shift the entry date of a phenological phase for about a week into the future. A bias of such an order of magnitude is still possible in case of numerical weather forecast models. If the assimilation of additional temperature information (e.g. ground measurements as well as satellite-retrieved air / surface temperature fields) is able to reduce such systematic temperature deviations, the precision of the timing of phenological entry dates might be enhanced. With a number of sensitivity experiments the effect of a possible temperature bias on the modelled phenology and the pollen concentration in the atmosphere is determined. The actual bias of the ECMWF IFS 2 m temperature will also be calculated and its effect on the numerical pollen forecast procedure presented.

  18. Numerical Modeling of Fracture Propagation in Naturally Fractured Formations

    NASA Astrophysics Data System (ADS)

    Wang, W.; Prodanovic, M.; Olson, J. E.; Schultz, R.

    2015-12-01

    Hydraulic fracturing consists of injecting fluid at high pressure and high flowrate to the wellbore for the purpose of enhancing production by generating a complex fracture network. Both tensile failure and shear failure occur during the hydraulic fracturing treatment. The shear event can be caused by slip on existing weak planes such as faults or natural fractures. From core observation, partially cemented and fully cemented opening mode natural fractures, often with considerable thickness are widely present. Hydraulic fractures can propagate either within the natural fracture (tensile failure) or along the interface between the natural fracture and the rock matrix (tensile/shear failure), depending on the relative strength of cement and rock matrix materials, the bonding strength of interface, as well as the presence of any heterogeneities. In this study, we evaluate the fracture propagation both experimentally and numerically. We embed one or multiple inclusions of different mechanical properties within synthetic hydrostone samples in order to mimic cemented natural fractures and rock. A semi-circular bending test is performed for each set of properties. A finite element model built with ABAQUS is used to mimic the semi-circular bending test and study the fracture propagation path, as well as the matrix-inclusion bonding interface status. Mechanical properties required for the numerical model are measured experimentally. The results indicate that the match between experiment and modeling fracture path are extremely sensitive to the chosen interface (bonding) model and related parameters. The semi-circular bending test is dry and easily conducted, providing a good platform for validating numerical approaches. A validated numerical model will enable us to add pressurized fluid within the crack and simulate hydraulic fracture-natural fracture interaction in the reservoir conditions, ultimately providing insights into the extent of the fracture network.

  19. Busted Butte: Achieving the Objectives and Numerical Modeling Results

    SciTech Connect

    W.E. Soll; M. Kearney; P. Stauffer; P. Tseng; H.J. Turin; Z. Lu

    2002-10-07

    The Unsaturated Zone Transport Test (UZTT) at Busted Butte is a mesoscale field/laboratory/modeling investigation designed to address uncertainties associated with flow and transport in the UZ site-process models for Yucca Mountain. The UZTT test facility is located approximately 8 km southeast of the potential Yucca Mountain repository area. The UZTT was designed in two phases, to address five specific objectives in the UZ: the effect of heterogeneities, flow and transport (F&T) behavior at permeability contrast boundaries, migration of colloids , transport models of sorbing tracers, and scaling issues in moving from laboratory scale to field scale. Phase 1A was designed to assess the influence of permeability contrast boundaries in the hydrologic Calico Hills. Visualization of fluorescein movement , mineback rock analyses, and comparison with numerical models demonstrated that F&T are capillary dominated with permeability contrast boundaries distorting the capillary flow. Phase 1B was designed to assess the influence of fractures on F&T and colloid movement. The injector in Phase 1B was located at a fracture, while the collector, 30 cm below, was placed at what was assumed to be the same fracture. Numerical simulations of nonreactive (Br) and reactive (Li) tracers show the experimental data are best explained by a combination of molecular diffusion and advective flux. For Phase 2, a numerical model with homogeneous unit descriptions was able to qualitatively capture the general characteristics of the system. Numerical simulations and field observations revealed a capillary dominated flow field. Although the tracers showed heterogeneity in the test block, simulation using heterogeneous fields did not significantly improve the data fit over homogeneous field simulations. In terms of scaling, simulations of field tracer data indicate a hydraulic conductivity two orders of magnitude higher than measured in the laboratory. Simulations of Li, a weakly sorbing tracer

  20. Simulation of human atherosclerotic femoral plaque tissue: the influence of plaque material model on numerical results

    PubMed Central

    2015-01-01

    discrepancies, future studies should seek to employ vessel-appropriate material models to simulate the response of diseased femoral tissue in order to obtain the most accurate numerical results. PMID:25602515

  1. Numerical Vlasov-Maxwell modelling of space plasma

    NASA Astrophysics Data System (ADS)

    Eliasson, Bengt Erik

    The Vlasov equation describes the evolution of the distribution function of particles in phase space (x, v), where the particles interact with long-range forces, but where short-range “collisional” forces are neglected. A space plasma consists of low-mass electrically charged particles, and therefore the most important long-range forces acting in the plasma are the Lorentz forces created by electromagnetic fields. What makes the numerical solution of the Vlasov equation a challenging task is that the fully three-dimensional problem leads to a partial differential equation in the six-dimensional phase space, plus time, making it hard even to store a discretised solution in a computer's memory. Solutions to the Vlasov equation have also a tendency of becoming oscillatory in velocity space, due to free streaming terms (ballistic particles), in which steep gradients are created and problems of calculating the ν (velocity) derivative of the function accurately increase with time. In the present thesis, the numerical treatment is limited to one- and two-dimensional systems, leading to solutions in two- and four-dimensional phase space, respectively, plus time. The numerical method developed is based on the technique of Fourier transforming the Vlasov equation in velocity space and then solving the resulting equation, in which the small-scale information in velocity space is removed through outgoing wave boundary conditions in the Fourier transformed velocity space. The Maxwell equations are rewritten in a form which conserves the divergences of the electric and magnetic fields, by means of the Lorentz potentials. The resulting equations are solved numerically by high order methods, reducing the need for numerical over-sampling of the problem. The algorithm has been implemented in Fortran 90, and the code for solving the one-dimensional Vlasov equation has been parallelised by the method of domain decomposition, and has been implemented using the Message Passing

  2. Precise and accurate assessment of uncertainties in model parameters from stellar interferometry. Application to stellar diameters

    NASA Astrophysics Data System (ADS)

    Lachaume, Regis; Rabus, Markus; Jordan, Andres

    2015-08-01

    In stellar interferometry, the assumption that the observables can be seen as Gaussian, independent variables is the norm. In particular, neither the optical interferometry FITS (OIFITS) format nor the most popular fitting software in the field, LITpro, offer means to specify a covariance matrix or non-Gaussian uncertainties. Interferometric observables are correlated by construct, though. Also, the calibration by an instrumental transfer function ensures that the resulting observables are not Gaussian, even if uncalibrated ones happened to be so.While analytic frameworks have been published in the past, they are cumbersome and there is no generic implementation available. We propose here a relatively simple way of dealing with correlated errors without the need to extend the OIFITS specification or making some Gaussian assumptions. By repeatedly picking at random which interferograms, which calibrator stars, and which are the errors on their diameters, and performing the data processing on the bootstrapped data, we derive a sampling of p(O), the multivariate probability density function (PDF) of the observables O. The results can be stored in a normal OIFITS file. Then, given a model m with parameters P predicting observables O = m(P), we can estimate the PDF of the model parameters f(P) = p(m(P)) by using a density estimation of the observables' PDF p.With observations repeated over different baselines, on nights several days apart, and with a significant set of calibrators systematic errors are de facto taken into account. We apply the technique to a precise and accurate assessment of stellar diameters obtained at the Very Large Telescope Interferometer with PIONIER.

  3. Stable, accurate and efficient computation of normal modes for horizontal stratified models

    NASA Astrophysics Data System (ADS)

    Wu, Bo; Chen, Xiaofei

    2016-08-01

    We propose an adaptive root-determining strategy that is very useful when dealing with trapped modes or Stoneley modes whose energies become very insignificant on the free surface in the presence of low-velocity layers or fluid layers in the model. Loss of modes in these cases or inaccuracy in the calculation of these modes may then be easily avoided. Built upon the generalized reflection/transmission coefficients, the concept of `family of secular functions' that we herein call `adaptive mode observers' is thus naturally introduced to implement this strategy, the underlying idea of which has been distinctly noted for the first time and may be generalized to other applications such as free oscillations or applied to other methods in use when these cases are encountered. Additionally, we have made further improvements upon the generalized reflection/transmission coefficient method; mode observers associated with only the free surface and low-velocity layers (and the fluid/solid interface if the model contains fluid layers) are adequate to guarantee no loss and high precision at the same time of any physically existent modes without excessive calculations. Finally, the conventional definition of the fundamental mode is reconsidered, which is entailed in the cases under study. Some computational aspects are remarked on. With the additional help afforded by our superior root-searching scheme and the possibility of speeding calculation using a less number of layers aided by the concept of `turning point', our algorithm is remarkably efficient as well as stable and accurate and can be used as a powerful tool for widely related applications.

  4. Stable, accurate and efficient computation of normal modes for horizontal stratified models

    NASA Astrophysics Data System (ADS)

    Wu, Bo; Chen, Xiaofei

    2016-06-01

    We propose an adaptive root-determining strategy that is very useful when dealing with trapped modes or Stoneley modes whose energies become very insignificant on the free surface in the presence of low-velocity layers or fluid layers in the model. Loss of modes in these cases or inaccuracy in the calculation of these modes may then be easily avoided. Built upon the generalized reflection/transmission coefficients, the concept of "family of secular functions" that we herein call "adaptive mode observers", is thus naturally introduced to implement this strategy, the underlying idea of which has been distinctly noted for the first time and may be generalized to other applications such as free oscillations or applied to other methods in use when these cases are encountered. Additionally, we have made further improvements upon the generalized reflection/transmission coefficient method; mode observers associated with only the free surface and low-velocity layers (and the fluid/solid interface if the model contains fluid layers) are adequate to guarantee no loss and high precision at the same time of any physically existent modes without excessive calculations. Finally, the conventional definition of the fundamental mode is reconsidered, which is entailed in the cases under study. Some computational aspects are remarked on. With the additional help afforded by our superior root-searching scheme and the possibility of speeding calculation using a less number of layers aided by the concept of "turning point", our algorithm is remarkably efficient as well as stable and accurate and can be used as a powerful tool for widely related applications.

  5. Reevaluating the two-representation model of numerical magnitude processing.

    PubMed

    Jiang, Ting; Zhang, Wenfeng; Wen, Wen; Zhu, Haiting; Du, Han; Zhu, Xiangru; Gao, Xuefei; Zhang, Hongchuan; Dong, Qi; Chen, Chuansheng

    2016-01-01

    One debate in mathematical cognition centers on the single-representation model versus the two-representation model. Using an improved number Stroop paradigm (i.e., systematically manipulating physical size distance), in the present study we tested the predictions of the two models for number magnitude processing. The results supported the single-representation model and, more importantly, explained how a design problem (failure to manipulate physical size distance) and an analytical problem (failure to consider the interaction between congruity and task-irrelevant numerical distance) might have contributed to the evidence used to support the two-representation model. This study, therefore, can help settle the debate between the single-representation and two-representation models. PMID:26268066

  6. Accurate calculation and modeling of the adiabatic connection in density functional theory

    NASA Astrophysics Data System (ADS)

    Teale, A. M.; Coriani, S.; Helgaker, T.

    2010-04-01

    AC. When parametrized in terms of the same input data, the AC-CI model offers improved performance over the corresponding AC-D model, which is shown to be the lowest-order contribution to the AC-CI model. The utility of the accurately calculated AC curves for the analysis of standard density functionals is demonstrated for the BLYP exchange-correlation functional and the interaction-strength-interpolation (ISI) model AC integrand. From the results of this analysis, we investigate the performance of our proposed two-parameter AC-D and AC-CI models when a simple density functional for the AC at infinite interaction strength is employed in place of information at the fully interacting point. The resulting two-parameter correlation functionals offer a qualitatively correct behavior of the AC integrand with much improved accuracy over previous attempts. The AC integrands in the present work are recommended as a basis for further work, generating functionals that avoid spurious error cancellations between exchange and correlation energies and give good accuracy for the range of densities and types of correlation contained in the systems studied here.

  7. AEETES: A solar reflux receiver thermal performance numerical model

    NASA Astrophysics Data System (ADS)

    Hogan, R. E., Jr.

    1991-12-01

    Reflux solar receivers for dish-Stirling electric power generation systems are currently being investigated by several companies and laboratories. In support of these efforts, the AEETES thermal performance numerical model has been developed to predict thermal performance of pool-boiler and heat-pipe reflux receivers. The formulation of the AEETES numerical model, which is applicable to axisymmetric geometries with asymmetric incident fluxes, is presented in detail. Thermal efficiency predictions agree to within 4.1 percent with test data from on-sun tests of a pool-boiler reflux receiver. Predicted absorber and sidewall temperatures agree with thermocouple data to within 3.3. percent and 7.3 percent, respectively. The importance of accounting for the asymmetric incident fluxes is demonstrated in comparisons with predictions using azimuthally averaged variables. The predicted receiver heat losses are characterized in terms of convective, solar and infrared radiative, and conductive heat transfer mechanisms.

  8. Numerical modeling of arc plasma generator for chemical laser applications

    NASA Astrophysics Data System (ADS)

    Sagar, Vidya; Ravikant, Chhaya; Singhal, Gaurav; Mittal, Alok P.

    2012-05-01

    The results of the numerical modeling of arc discharge phenomenon relevant to hydrogen fluoride/deuterium fluoride (HF/DF) laser applications are given. The overall mechanics of arc discharge phenomena on the basis of numerical modeling employing the commercial code COMSOL is discussed. The equations for a 2D axisymmetric, weakly compressible, laminar flow with heat transfer and the coupled hydrodynamic and electromagnetic equations are solved using the SIMPLE algorithm. The variations in the material properties, temperature, and velocity due to the generated arc are studied. A comparison of the results obtained with those from the studies available in the literature validates the computational data. Since each designed plasma arc tunnel is unique in itself and specific in application, this would enable one to alter arc discharge parameters to optimize a specific laser.

  9. Optimum employment of satellite indirect soundings as numerical model input

    NASA Technical Reports Server (NTRS)

    Horn, L. H.; Derber, J. C.; Koehler, T. L.; Schmidt, B. D.

    1981-01-01

    The characteristics of satellite-derived temperature soundings that would significantly affect their use as input for numerical weather prediction models were examined. Independent evaluations of satellite soundings were emphasized to better define error characteristics. Results of a Nimbus-6 sounding study reveal an underestimation of the strength of synoptic scale troughs and ridges, and associated gradients in isobaric height and temperature fields. The most significant errors occurred near the Earth's surface and the tropopause. Soundings from the TIROS-N and NOAA-6 satellites were also evaluated. Results again showed an underestimation of upper level trough amplitudes leading to weaker thermal gradient depictions in satellite-only fields. These errors show a definite correlation to the synoptic flow patterns. In a satellite-only analysis used to initialize a numerical model forecast, it was found that these synoptically correlated errors were retained in the forecast sequence.

  10. The water-bearing numerical model and its operational forecasting experiments part I: the water-bearing numerical model

    NASA Astrophysics Data System (ADS)

    Xia, Daqing; Xu, Youping

    1998-06-01

    In first paper of articles, the physical and calculating schemes of the water-bearing numerical model are described. The model is developed by bearing all species of hydrometeors in a conventional numerical model in which the dynamic framework of hydrostatic equilibrium is taken. The main contributions are: the mixing ratios of all species of hydrometeors are added as the prognostic variables of model, the prognostic equations of these hydrometeors are introduced, the cloud physical framework is specially designed, some technical measures are used to resolve a series of physical, mathematical and computational problems arising from water-bearing; and so on. The various problems (in such aspects as the designs of physical and calculating schemes and the composition of computational programme) which are exposed in feasibility test, in sensibility test, and especially in operational forecasting experiments are successfully resolved using a lot of technical measures having been developed from researches and tests. Finally, the operational forecasting running of the water-bearing numerical model and its forecasting system is realized stably and reliably, and the fine forecasts are obtained. All of these mentioned above will be described in second paper.

  11. Fast Numerically Based Modeling for Ground Penetrating Radar

    NASA Astrophysics Data System (ADS)

    Sassen, D. S.; Everett, M. E.

    2007-05-01

    There is a need for computationally fast GPR numerical modeling. This includes circumstances where real time performance is needed, for example discrimination of landmines or UXO's, and in circumstances that require a high number of successive forward problems, for example inversion or imaging. Traditional numerical techniques such as finite difference or finite element are too slow for these applications, but they provide results from general scenarios such as scattering from very complicated shapes with high contrast. Neural networks may fit in the niche between analytical techniques and traditional numerical techniques. Our concept is training a neural network to associate the model inputs of electromagnetic properties of the background and targets, and the size and shape of the targets, with the output generated by a 3-D finite difference model. Successive examples from various electromagnetic properties and targets are displayed to the neural network, until the neural network has adapted itself though optimization. The trained neural network is now used as the forward model by displaying new input parameters and the neural network then generates the appropriate output. The results from the neural network are then compared to results from finite difference models to see how well the neural networks is performing and at what point it breaks down. Areas of poor fit can be addressed through further training. The neural network GPR model can be adapted by displaying additional finite difference results to the neural network, and can also be adapted to a specific field area by actual field data examples. Because of this adaptation ability the neural network GPR model can be optimized for specific environments and applications.

  12. Numerical modeling of two-dimensional confined flows

    NASA Technical Reports Server (NTRS)

    Greywall, M. S.

    1979-01-01

    A numerical model of two-dimensional confined flows is presented. The flow in the duct is partitioned into finite streams. The difference equations are then obtained by applying conservation principles directly to the individual streams. A listing of a computer code based on this approach in FORTRAN 4 language is presented. The code computes two dimensional compressible turbulent flows in ducts when the duct area along the flow is specified and the pressure gradient is unknown.

  13. Numerical modeling of injection experiments at The Geysers

    SciTech Connect

    Pruess, Karsten; Enedy, Steve

    1993-01-28

    Data from injection experiments in the southeast Geysers are presented that show strong interference (both negative and positive) with a neighboring production well. Conceptual and numerical models are developed that explain the negative interference (decline of production rate) in terms of heat transfer limitations and water-vapor relative permeability effects. Recovery and overrecovery following injection shut-in are attributed to boiling of injected fluid, with heat of vaporization provided by the reservoir rocks.

  14. Numerical modeling of injection experiments at The Geysers

    SciTech Connect

    Pruess, K. ); Enedy, S. )

    1993-01-01

    Data from injection experiments in the southeast Geysers are presented that show strong interference (both negative and positive) with a neighboring production well. Conceptual and numerical models are developed that explain the negative interference (decline of production rate) in terms of heat transfer limitations and water-vapor relative permeability effects. Recovery and over-recovery following injection shut-in are attributed to boiling of injected fluid, with heat of vaporization provided by the reservoir rocks.

  15. Toward accurate tooth segmentation from computed tomography images using a hybrid level set model

    SciTech Connect

    Gan, Yangzhou; Zhao, Qunfei; Xia, Zeyang E-mail: jing.xiong@siat.ac.cn; Hu, Ying; Xiong, Jing E-mail: jing.xiong@siat.ac.cn; Zhang, Jianwei

    2015-01-15

    Purpose: A three-dimensional (3D) model of the teeth provides important information for orthodontic diagnosis and treatment planning. Tooth segmentation is an essential step in generating the 3D digital model from computed tomography (CT) images. The aim of this study is to develop an accurate and efficient tooth segmentation method from CT images. Methods: The 3D dental CT volumetric images are segmented slice by slice in a two-dimensional (2D) transverse plane. The 2D segmentation is composed of a manual initialization step and an automatic slice by slice segmentation step. In the manual initialization step, the user manually picks a starting slice and selects a seed point for each tooth in this slice. In the automatic slice segmentation step, a developed hybrid level set model is applied to segment tooth contours from each slice. Tooth contour propagation strategy is employed to initialize the level set function automatically. Cone beam CT (CBCT) images of two subjects were used to tune the parameters. Images of 16 additional subjects were used to validate the performance of the method. Volume overlap metrics and surface distance metrics were adopted to assess the segmentation accuracy quantitatively. The volume overlap metrics were volume difference (VD, mm{sup 3}) and Dice similarity coefficient (DSC, %). The surface distance metrics were average symmetric surface distance (ASSD, mm), RMS (root mean square) symmetric surface distance (RMSSSD, mm), and maximum symmetric surface distance (MSSD, mm). Computation time was recorded to assess the efficiency. The performance of the proposed method has been compared with two state-of-the-art methods. Results: For the tested CBCT images, the VD, DSC, ASSD, RMSSSD, and MSSD for the incisor were 38.16 ± 12.94 mm{sup 3}, 88.82 ± 2.14%, 0.29 ± 0.03 mm, 0.32 ± 0.08 mm, and 1.25 ± 0.58 mm, respectively; the VD, DSC, ASSD, RMSSSD, and MSSD for the canine were 49.12 ± 9.33 mm{sup 3}, 91.57 ± 0.82%, 0.27 ± 0.02 mm, 0

  16. Improved numerical modeling of morphodynamics of rivers with steep banks

    NASA Astrophysics Data System (ADS)

    Langendoen, Eddy J.; Mendoza, Alejandro; Abad, Jorge D.; Tassi, Pablo; Wang, Dongchen; Ata, Riadh; El kadi Abderrezzak, Kamal; Hervouet, Jean-Michel

    2016-07-01

    The flow and sediment transport processes near steep streambanks, which are commonly found in meandering, braided, and anastomosing stream systems, exhibit complex patterns that produce intricate interactions between bed and bank morphologic adjustment. Increasingly, multi-dimensional computer models of riverine morphodynamics are used to aid in the study of these processes. A number of depth-averaged two-dimensional models are available to simulate morphologic adjustment of both bed and banks. Unfortunately, these models use overly simplified conceptual models of riverbank erosion, are limited by inflexible structured mesh systems, or are unable to accurately account for the flow and sediment transport adjacent to streambanks of arbitrary geometry. A new, nonlinear model is introduced that resolves these limitations. The model combines the river morphodynamics computer models TELEMAC-2D and SISYPHE of the open source TELEMAC-MASCARET suite of solvers with the bank erosion modules of the CONCEPTS channel evolution computer model. The performance of the new model is evaluated for meander-planform initiation and development. The most important findings are: (1) the model is able to simulate a much greater variety and complexity in meander wavelengths; (2) simulated meander development agrees closely with the unified bar-bend theory of Tubino and Seminara (1990); and (3) the rate of meander planform adjustment is greatly reduced if the wavelength of alternate bars is similar to that of meanders.

  17. Numerical bifurcation analysis of the bipedal spring-mass model

    NASA Astrophysics Data System (ADS)

    Merker, Andreas; Kaiser, Dieter; Hermann, Martin

    2015-01-01

    The spring-mass model and its numerous extensions are currently one of the best candidates for templates of human and animal locomotion. However, with increasing complexity, their applications can become very time-consuming. In this paper, we present an approach that is based on the calculation of bifurcations in the bipedal spring-mass model for walking. Since the bifurcations limit the region of stable walking, locomotion can be studied by computing the corresponding boundaries. Originally, the model was implemented as a hybrid dynamical system. Our new approach consists of the transformation of the series of initial value problems on different intervals into a single boundary value problem. Using this technique, discontinuities can be avoided and sophisticated numerical methods for studying parametrized nonlinear boundary value problems can be applied. Thus, appropriate extended systems are used to compute transcritical and period-doubling bifurcation points as well as turning points. We show that the resulting boundary value problems can be solved by the simple shooting method with sufficient accuracy, making the application of the more extensive multiple shooting superfluous. The proposed approach is fast, robust to numerical perturbations and allows determining complete manifolds of periodic solutions of the original problem.

  18. Numerical modeling of bubble dynamics in viscoelastic media with relaxation

    NASA Astrophysics Data System (ADS)

    Warnez, M. T.; Johnsen, E.

    2015-06-01

    Cavitation occurs in a variety of non-Newtonian fluids and viscoelastic materials. The large-amplitude volumetric oscillations of cavitation bubbles give rise to high temperatures and pressures at collapse, as well as induce large and rapid deformation of the surroundings. In this work, we develop a comprehensive numerical framework for spherical bubble dynamics in isotropic media obeying a wide range of viscoelastic constitutive relationships. Our numerical approach solves the compressible Keller-Miksis equation with full thermal effects (inside and outside the bubble) when coupled to a highly generalized constitutive relationship (which allows Newtonian, Kelvin-Voigt, Zener, linear Maxwell, upper-convected Maxwell, Jeffreys, Oldroyd-B, Giesekus, and Phan-Thien-Tanner models). For the latter two models, partial differential equations (PDEs) must be solved in the surrounding medium; for the remaining models, we show that the PDEs can be reduced to ordinary differential equations. To solve the general constitutive PDEs, we present a Chebyshev spectral collocation method, which is robust even for violent collapse. Combining this numerical approach with theoretical analysis, we simulate bubble dynamics in various viscoelastic media to determine the impact of relaxation time, a constitutive parameter, on the associated physics. Relaxation time is found to increase bubble growth and permit rebounds driven purely by residual stresses in the surroundings. Different regimes of oscillations occur depending on the relaxation time.

  19. Numerical modeling of bubble dynamics in viscoelastic media with relaxation

    PubMed Central

    Warnez, M. T.; Johnsen, E.

    2015-01-01

    Cavitation occurs in a variety of non-Newtonian fluids and viscoelastic materials. The large-amplitude volumetric oscillations of cavitation bubbles give rise to high temperatures and pressures at collapse, as well as induce large and rapid deformation of the surroundings. In this work, we develop a comprehensive numerical framework for spherical bubble dynamics in isotropic media obeying a wide range of viscoelastic constitutive relationships. Our numerical approach solves the compressible Keller–Miksis equation with full thermal effects (inside and outside the bubble) when coupled to a highly generalized constitutive relationship (which allows Newtonian, Kelvin–Voigt, Zener, linear Maxwell, upper-convected Maxwell, Jeffreys, Oldroyd-B, Giesekus, and Phan-Thien-Tanner models). For the latter two models, partial differential equations (PDEs) must be solved in the surrounding medium; for the remaining models, we show that the PDEs can be reduced to ordinary differential equations. To solve the general constitutive PDEs, we present a Chebyshev spectral collocation method, which is robust even for violent collapse. Combining this numerical approach with theoretical analysis, we simulate bubble dynamics in various viscoelastic media to determine the impact of relaxation time, a constitutive parameter, on the associated physics. Relaxation time is found to increase bubble growth and permit rebounds driven purely by residual stresses in the surroundings. Different regimes of oscillations occur depending on the relaxation time. PMID:26130967

  20. Collision of continental corner from 3-D numerical modeling

    NASA Astrophysics Data System (ADS)

    Li, Zhong-Hai; Xu, Zhiqin; Gerya, Taras; Burg, Jean-Pierre

    2013-10-01

    Continental collision has been extensively investigated with 2-D numerical models assuming infinitely wide plates or insignificant along-strike deformation in the third dimension. However, the corners of natural collision zones normally have structural characteristics that differ from linear parts of mountain belt. We conducted 3-D high-resolution numerical simulations to study the dynamics of a continental corner (lateral continental/oceanic transition zone) during subduction/collision. The results demonstrate different modes between the oceanic subduction side (continuous subduction and retreating trench) and the continental collision side (slab break-off and topography uplift). Slab break-off occurs at a depth (⩽100 km to ˜300 km) that depends on the convergence velocity. The numerical models produce lateral extrusion of the overriding crust from the collisional side to the subduction side, which is also a phenomenon recognized around natural collision of continental corners, for instance around the western corner of the Arabia-Asia collision zone and around the eastern corner of the India-Asia collision zone. Modeling results also indicate that extrusion tectonics may be driven both from above by the topography and gravitational potentials and from below by the trench retreat and asthenospheric mantle return flow, which supports the link between deep mantle dynamics and shallower crustal deformation.

  1. Numerical Modeling of Inclusion Behavior in Liquid Metal Processing

    NASA Astrophysics Data System (ADS)

    Bellot, Jean-Pierre; Descotes, Vincent; Jardy, Alain

    2013-09-01

    Thermomechanical performance of metallic alloys is directly related to the metal cleanliness that has always been a challenge for metallurgists. During liquid metal processing, particles can grow or decrease in size either by mass transfer with the liquid phase or by agglomeration/fragmentation mechanisms. As a function of numerical density of inclusions and of the hydrodynamics of the reactor, different numerical modeling approaches are proposed; in the case of an isolated particle, the Lagrangian technique coupled with a dissolution model is applied, whereas in the opposite case of large inclusion phase concentration, the population balance equation must be solved. Three examples of numerical modeling studies achieved at Institut Jean Lamour are discussed. They illustrate the application of the Lagrangian technique (for isolated exogenous inclusion in titanium bath) and the Eulerian technique without or with the aggregation process: for precipitation and growing of inclusions at the solidification front of a Maraging steel, and for endogenous inclusions in the molten steel bath of a gas-stirred ladle, respectively.

  2. Oscillation threshold of a clarinet model: a numerical continuation approach.

    PubMed

    Karkar, Sami; Vergez, Christophe; Cochelin, Bruno

    2012-01-01

    This paper focuses on the oscillation threshold of single reed instruments. Several characteristics such as blowing pressure at threshold, regime selection, and playing frequency are known to change radically when taking into account the reed dynamics and the flow induced by the reed motion. Previous works have shown interesting tendencies, using analytical expressions with simplified models. In the present study, a more elaborated physical model is considered. The influence of several parameters, depending on the reed properties, the design of the instrument or the control operated by the player, are studied. Previous results on the influence of the reed resonance frequency are confirmed. New results concerning the simultaneous influence of two model parameters on oscillation threshold, regime selection and playing frequency are presented and discussed. The authors use a numerical continuation approach. Numerical continuation consists in following a given solution of a set of equations when a parameter varies. Considering the instrument as a dynamical system, the oscillation threshold problem is formulated as a path following of Hopf bifurcations, generalizing the usual approach of the characteristic equation, as used in previous works. The proposed numerical approach proves to be useful for the study of musical instruments. It is complementary to analytical analysis and direct time-domain or frequency-domain simulations since it allows to derive information that is hardly reachable through simulation, without the approximations needed for analytical approach. PMID:22280691

  3. Oscillation threshold of a clarinet model: A numerical continuation approach

    NASA Astrophysics Data System (ADS)

    Karkar, Sami; Vergez, Christophe; Cochelin, Bruno

    This paper focuses on the oscillation threshold of single reed instruments. Several characteristics such as blowing pressure at threshold, regime selection, and playing frequency are known to change radically when taking into account the reed dynamics and the flow induced by the reed motion. Previous works have shown interesting tendencies, using analytical expressions with simplified models. In the present study, a more elaborated physical model is considered. The influence of several parameters, depending on the reed properties, the design of the instrument or the control operated by the player, are studied. Previous results on the influence of the reed resonance frequency are confirmed. New results concerning the simultaneous influence of two model parameters on oscillation threshold, regime selection and playing frequency are presented and discussed. The authors use a numerical continuation approach. Numerical continuation consists in following a given solution of a set of equations when a parameter varies. Considering the instrument as a dynamical system, the oscillation threshold problem is formulated as a path following of Hopf bifurcations, generalizing the usual approach of the characteristic equation, as used in previous works. The proposed numerical approach proves to be useful for the study of musical instruments. It is complementary to analytical analysis and direct time-domain or frequency-domain simulations since it allows to derive information that is hardly reachable through simulation, without the approximations needed for analytical approach.

  4. Optimization methods and silicon solar cell numerical models

    NASA Technical Reports Server (NTRS)

    Girardini, K.; Jacobsen, S. E.

    1986-01-01

    An optimization algorithm for use with numerical silicon solar cell models was developed. By coupling an optimization algorithm with a solar cell model, it is possible to simultaneously vary design variables such as impurity concentrations, front junction depth, back junction depth, and cell thickness to maximize the predicted cell efficiency. An optimization algorithm was developed and interfaced with the Solar Cell Analysis Program in 1 Dimension (SCAP1D). SCAP1D uses finite difference methods to solve the differential equations which, along with several relations from the physics of semiconductors, describe mathematically the performance of a solar cell. A major obstacle is that the numerical methods used in SCAP1D require a significant amount of computer time, and during an optimization the model is called iteratively until the design variables converge to the values associated with the maximum efficiency. This problem was alleviated by designing an optimization code specifically for use with numerically intensive simulations, to reduce the number of times the efficiency has to be calculated to achieve convergence to the optimal solution.

  5. Numerical solution of High-kappa model of superconductivity

    SciTech Connect

    Karamikhova, R.

    1996-12-31

    We present formulation and finite element approximations of High-kappa model of superconductivity which is valid in the high {kappa}, high magnetic field setting and accounts for applied magnetic field and current. Major part of this work deals with steady-state and dynamic computational experiments which illustrate our theoretical results numerically. In our experiments we use Galerkin discretization in space along with Backward-Euler and Crank-Nicolson schemes in time. We show that for moderate values of {kappa}, steady states of the model system, computed using the High-kappa model, are virtually identical with results computed using the full Ginzburg-Landau (G-L) equations. We illustrate numerically optimal rates of convergence in space and time for the L{sup 2} and H{sup 1} norms of the error in the High-kappa solution. Finally, our numerical approximations demonstrate some well-known experimentally observed properties of high-temperature superconductors, such as appearance of vortices, effects of increasing the applied magnetic field and the sample size, and the effect of applied constant current.

  6. ASSIMILATION OF DOPPLER RADAR DATA INTO NUMERICAL WEATHER MODELS

    SciTech Connect

    Chiswell, S.; Buckley, R.

    2009-01-15

    During the year 2008, the United States National Weather Service (NWS) completed an eight fold increase in sampling capability for weather radars to 250 m resolution. This increase is expected to improve warning lead times by detecting small scale features sooner with increased reliability; however, current NWS operational model domains utilize grid spacing an order of magnitude larger than the radar data resolution, and therefore the added resolution of radar data is not fully exploited. The assimilation of radar reflectivity and velocity data into high resolution numerical weather model forecasts where grid spacing is comparable to the radar data resolution was investigated under a Laboratory Directed Research and Development (LDRD) 'quick hit' grant to determine the impact of improved data resolution on model predictions with specific initial proof of concept application to daily Savannah River Site operations and emergency response. Development of software to process NWS radar reflectivity and radial velocity data was undertaken for assimilation of observations into numerical models. Data values within the radar data volume undergo automated quality control (QC) analysis routines developed in support of this project to eliminate empty/missing data points, decrease anomalous propagation values, and determine error thresholds by utilizing the calculated variances among data values. The Weather Research and Forecasting model (WRF) three dimensional variational data assimilation package (WRF-3DVAR) was used to incorporate the QC'ed radar data into input and boundary conditions. The lack of observational data in the vicinity of SRS available to NWS operational models signifies an important data void where radar observations can provide significant input. These observations greatly enhance the knowledge of storm structures and the environmental conditions which influence their development. As the increase in computational power and availability has made higher

  7. Towards accurate kinetic modeling of prompt NO formation in hydrocarbon flames via the NCN pathway

    SciTech Connect

    Sutton, Jeffrey A.; Fleming, James W.

    2008-08-15

    A basic kinetic mechanism that can predict the appropriate prompt-NO precursor NCN, as shown by experiment, with relative accuracy while still producing postflame NO results that can be calculated as accurately as or more accurately than through the former HCN pathway is presented for the first time. The basic NCN submechanism should be a starting point for future NCN kinetic and prompt NO formation refinement.

  8. Numerical modelling of the memory effect in wet scrubbers.

    PubMed

    Löthgren, Carl-Johan; Andersson, Sven

    2008-08-01

    Polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) can be absorbed in and desorbed from polypropylene (PP) tower packings in wet scrubbers utilized in waste incineration lines. This behaviour, also known as the memory effect, has been modelled using a gas phase-PP surface equilibrium and a numerical solid phase diffusion model describing the transport of PCDD/Fs inside the PP. The diffusivities and gas-PP partition coefficients of TCDD/F to HxCDD/Fs in PP have been estimated using the numerical model. Two incineration lines were modelled. In the first line, the absorption and desorption in PP test rods was followed before and after installation of a fabric filter that was placed before a wet scrubber. In the second incineration line, the accumulation of PCDD/Fs in a wet scrubber during start up periods and the subsequent decline during the following three months was modelled and compared to continuous two-week gas measurements after the scrubber. The obtained diffusivities in PP range from 10(-13) m(2)/s for TCDD to 10(-16) m(2)/s for HxCDD. Lower chlorinated homologues with a distinctive change in concentrations during the desorption period (e.g. TCDF) are easier to model, and show the best agreement between the two incineration lines. PMID:18457859

  9. Numerical photochemical modeling over Madrid (Spain) mesoscale urban area

    NASA Astrophysics Data System (ADS)

    San Jose, Roberto; Ramirez-Montesinos, Arturo; Marcelo, Luis M.; Sanz, Miguel A.; Rodriguez, Luis M.

    1995-09-01

    Photochemical air quality models provide the most defensible method for relating future air quality to changes in emission, and hence are the foundation for determining the effectiveness of proposed control strategies. In this contribution, we will show results from different photochemical schemes under typical emission conditions for a summer day in the Madrid mesocsale urban area. We will show that complex numerical integrated urban mesoscale models are a powerful tool to predict the ozone levels on this area. The comparison of model simulations at different grid points show an acceptable preliminary behavior. The results presented in this paper are prepared for August 15th, 1991 and the predicted ozone values are compared with those measured at two stations of the Madrid city monitoring network. Results show that the shape is successfully predicted by using the NUFOMO (numerical photochemical model) model. Because of the computer limitations, we have limited the results to this case study. Further investigations will provide additional information to produce a statistical analysis of the results. However, preliminary results show that the NUFOMO model is able to reproduce the measured ozone values.

  10. Thermocline Storage Filled with Structured Ceramics. Numerical Consistency of the Developed Numerical Model and First Observations

    NASA Astrophysics Data System (ADS)

    Motte, Fabrice; Bugler-Lamb, Samuel L.; Falcoz, Quentin

    2015-07-01

    The attraction of solar energy is greatly enhanced by the possibility of it being used during times of reduced or non-existent solar flux, such as weather induced intermittences or the darkness of the night. Therefore optimizing thermal storage for use in solar energy plants is crucial for the success of this sustainable energy source. Here we present a study of a structured bed filler dedicated to Thermocline type thermal storage, believed to outweigh the financial and thermal benefits of other systems currently in use such as packed bed Thermocline tanks. Several criterions such as Thermocline thickness and Thermocline centering are defined with the purpose of facilitating the assessment of the efficiency of the tank to complement the standard concepts of power output. A numerical model is developed that reduces to two dimensions the modeling of such a tank. The structure within the tank is designed to be built using simple bricks harboring rectangular channels through which the solar heat transfer and storage fluid will flow. The model is scrutinized and tested for physical robustness, and the results are presented in this paper. The consistency of the model is achieved within particular ranges for each physical variable.

  11. Numerical Solution of a Model Equation of Price Formation

    NASA Astrophysics Data System (ADS)

    Chernogorova, T.; Vulkov, L.

    2009-10-01

    The paper [2] is devoted to the effect of reconciling the classical Black-Sholes theory of option pricing and hedging with various phenomena observed in the markets such as the influence of trading and hedging on the dynamics of an asset. Here we will discuss the numerical solution of initial boundary-value problems to a model equation of the theory. The lack of regularity in the solution as a result from Dirac delta coefficient reduces the accuracy in the numerical computations. First, we apply the finite volume method to discretize the differential problem. Second, we implement a technique of local regularization introduced by A-K. Tornberg and B. Engquist [7] for handling this equation. We derived the numerical regularization process into two steps: the Dirac delta function is regularized and then the regularized differential equation is discretized by difference schemes. Using the discrete maximum principle a priori bounds are obtained for the difference equations that imply stability and convergence of difference schemes for the problem under consideration. Numerical experiments are discussed.

  12. Numerical treatment of a geometrically nonlinear planar Cosserat shell model

    NASA Astrophysics Data System (ADS)

    Sander, Oliver; Neff, Patrizio; Bîrsan, Mircea

    2016-05-01

    We present a new way to discretize a geometrically nonlinear elastic planar Cosserat shell. The kinematical model is similar to the general six-parameter resultant shell model with drilling rotations. The discretization uses geodesic finite elements (GFEs), which leads to an objective discrete model which naturally allows arbitrarily large rotations. GFEs of any approximation order can be constructed. The resulting algebraic problem is a minimization problem posed on a nonlinear finite-dimensional Riemannian manifold. We solve this problem using a Riemannian trust-region method, which is a generalization of Newton's method that converges globally without intermediate loading steps. We present the continuous model and the discretization, discuss the properties of the discrete model, and show several numerical examples, including wrinkling of thin elastic sheets in shear.

  13. A preliminary numerical model of the Geminid meteoroid stream

    NASA Astrophysics Data System (ADS)

    Ryabova, G. O.

    2016-02-01

    A pilot numerical model of the Geminid meteoroid stream is presented. This model implies cometary origin of the stream. Ejection of relatively small amount of particles (90 000 test meteoroids with masses 0.02, 0.003 and 0.0003 g) from the asteroid (3200) Phaethon (the parent body) was simulated, and their evolution was followed till the present time. The particles close to the Earth orbit were considered as the `shower'. It was found that the width of the model shower is at least twice less comparatively the real shower. The maximum activity of the model shower is dislocated and occurs about one day late. The most probable reason for both discrepancies is the drastic transformation of the parent body orbit during rapid release of the volatiles in the process of the stream initial formation. The dispersion of the model stream was evaluated in terms of the Southworth-Hawkins D-criterion.

  14. An Object Model for a Rocket Engine Numerical Simulator

    NASA Technical Reports Server (NTRS)

    Mitra, D.; Bhalla, P. N.; Pratap, V.; Reddy, P.

    1998-01-01

    Rocket Engine Numerical Simulator (RENS) is a packet of software which numerically simulates the behavior of a rocket engine. Different parameters of the components of an engine is the input to these programs. Depending on these given parameters the programs output the behaviors of those components. These behavioral values are then used to guide the design of or to diagnose a model of a rocket engine "built" by a composition of these programs simulating different components of the engine system. In order to use this software package effectively one needs to have a flexible model of a rocket engine. These programs simulating different components then should be plugged into this modular representation. Our project is to develop an object based model of such an engine system. We are following an iterative and incremental approach in developing the model, as is the standard practice in the area of object oriented design and analysis of softwares. This process involves three stages: object modeling to represent the components and sub-components of a rocket engine, dynamic modeling to capture the temporal and behavioral aspects of the system, and functional modeling to represent the transformational aspects. This article reports on the first phase of our activity under a grant (RENS) from the NASA Lewis Research center. We have utilized Rambaugh's object modeling technique and the tool UML for this purpose. The classes of a rocket engine propulsion system are developed and some of them are presented in this report. The next step, developing a dynamic model for RENS, is also touched upon here. In this paper we will also discuss the advantages of using object-based modeling for developing this type of an integrated simulator over other tools like an expert systems shell or a procedural language, e.g., FORTRAN. Attempts have been made in the past to use such techniques.

  15. Shock interaction with a deformable particle: Direct numerical simulation and point-particle modeling

    NASA Astrophysics Data System (ADS)

    Ling, Y.; Haselbacher, A.; Balachandar, S.; Najjar, F. M.; Stewart, D. S.

    2013-01-01

    The interaction of shock waves with deformable particles is an important fundamental problem. In some applications, e.g., the detonation of explosives loaded with metal particles, the pressure behind the shock wave can be significantly larger than the yield strength of the particle material. This means that particles can deform severely during their interaction with the shock wave. The experimental and theoretical studies of shock interaction with deformable particles (SIDP) are extremely challenging because of its highly transient nature. As a result, no accurate model exists yet that can be used in simulations. The objective of this paper is to develop a simple point-particle model that accurately captures the unsteady force and heat-transfer in SIDP. In the development of this model, we build on earlier models by Ling et al. (Int. J. Multiphase Flow 37, 1026-1044 (2011)) for the unsteady force and heat-transfer contributions for rigid particles. Insights gained from direct numerical simulations (DNS) guide the extension of these models to deforming particles. Results obtained with the extended model for the interaction of a deforming particle with a shock wave and a Chapman-Jouguet detonation wave compare well with DNS results and therefore offer significant improvements over standard models.

  16. A numerical model on PVB laminated windshield subjected to headform low-speed impact

    NASA Astrophysics Data System (ADS)

    Xu, X. Q.; Liu, B. H.; Wang, Y.; Li, Y. B.; Xu, J.

    2013-07-01

    Polyvinyl butyral (PVB) laminated windshield is one of the most important components in automotive to protect vulnerable road users. First, a windshield finite element (FE) model is set up using a piece of interlayer (PVB) sandwiched by two glass layers. Four parameters which have an critical impact on the simulation results, i.e. glass Young's modulus, glass plastic failure strain, PVB stress-strain curve and boundary condition, are suggested to measure the influence on the windshield model. Each windshield model is impacted by a standard headform impactor at the speed of 8m/s based on the LS-DYNA platform and the results are compared with the dynamic experiments of PVB laminated windshield under headform impact to find the most accurate FE model. Furthermore, the most accurate FE windshield model is compacted by the standard headform impactor on various impact velocities (6.6m/s-11.2m/s), angles (60°-90°) compared with the parametric dynamic experiments of PVB laminated windshield to verify the windshield finite element model. This paper provides a useful finite element model of windshield for further systematically numerical studies based on the finite element method to explore the ability of the energy absorption and safety design of PVB laminated windshield.

  17. New efficient optimizing techniques for Kalman filters and numerical weather prediction models