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All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Vapor ingestion in a cylindrical tank with a concave elliptical bottom

An approximate analytical technique is presented for estimating the liquid residual in a tank of arbitrary geometry due to vapor ingestion at any drain rate and acceleration level. The bulk liquid depth at incipient pull-through is defined in terms of the Weber and Bond numbers and two functions that describe the fluid velocity field and free surface shape appropriate to the tank geometry. Numerical results are obtained for the Centaur LH2 tank using limiting approximations to these functions.

Klavins, A.↗
DOE OSTI2023

Complete lowest order radiative corrections in semi-inclusive scattering of polarized particles

For this work, the lowest order radiative corrections to the cross section and asymmetries measured in experiments on semi-inclusive deep inelastic scattering of polarized particles were calculated. Both exact and leading log expressions were presented and discussed for the total correction that include the contributions from the processes of i) real photon emission with semi-inclusive processes, ii) loop diagrams, and iii) real photon emission with exclusive processes. Radiative corrections to the Sivers and Collins asymmetries in $\pi^+$ electroproduction were studied numerically within the kinematical conditions of modern experimental environments at Jefferson Laboratory (JLab). The Wandzura-Wilczek approximation for the semi-inclusive structure functions and MAID2007 parameterization for the six amplitudes of exclusive processes were used in numeric analyses. The results show that i) radiative effects can generate a correction comparable to the size of Sivers and Collins asymmetries at the Born level, ii) there is good agreement between the exact and leading-order corrections, iii) external functions (that is, other than the Sivers and Collins functions in the respective asymmetries) can generate a contribution to the radiative correction up to 20%, and iv) there exists a strong dependence of the radiative correction on the models for semi-inclusive and exclusive structure functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1973

Propagation of plane waves in flow through a variable area duct

Duct geometry is an important factor that influences the transmission of sound in a duct. Nonconstant area produces variations in steady flow quantities through the duct, which can cause reflections of acoustic disturbances and the creation of standing wave patterns, and which can attenuate and disperse propagating waves. To study the problem, a second-order-accurate numerical method has been developed. The method of characteristics is used to solve the acoustic equations with the assumption of quasi-one-dimensional flow in the duct. Numerical results are presented over a broad range of frequencies. Low-frequency results are compared with approximate solutions for compact nozzles and high-frequency calculations are compared with results from the short-wave theory. The numerical results are also compared with an analytical solution of the acoustic equations for exponential horn sections with zero mean flow to further establish the validity of the numerical method.

King, L. S.↗
NASA NTRS1993

Structured adaptive grid generation using algebraic methods

The accuracy of the numerical algorithm depends not only on the formal order of approximation but also on the distribution of grid points in the computational domain. Grid adaptation is a procedure which allows optimal grid redistribution as the solution progresses. It offers the prospect of accurate flow field simulations without the use of an excessively timely, computationally expensive, grid. Grid adaptive schemes are divided into two basic categories: differential and algebraic. The differential method is based on a variational approach where a function which contains a measure of grid smoothness, orthogonality and volume variation is minimized by using a variational principle. This approach provided a solid mathematical basis for the adaptive method, but the Euler-Lagrange equations must be solved in addition to the original governing equations. On the other hand, the algebraic method requires much less computational effort, but the grid may not be smooth. The algebraic techniques are based on devising an algorithm where the grid movement is governed by estimates of the local error in the numerical solution. This is achieved by requiring the points in the large error regions to attract other points and points in the low error region to repel other points. The development of a fast, efficient, and robust algebraic adaptive algorithm for structured flow simulation applications is presented. This development is accomplished in a three step process. The first step is to define an adaptive weighting mesh (distribution mesh) on the basis of the equidistribution law applied to the flow field solution. The second, and probably the most crucial step, is to redistribute grid points in the computational domain according to the aforementioned weighting mesh. The third and the last step is to reevaluate the flow property by an appropriate search/interpolate scheme at the new grid locations. The adaptive weighting mesh provides the information on the desired concentration of points to the grid redistribution scheme. The evaluation of the weighting mesh is accomplished by utilizing the weight function representing the solution variation and the equidistribution law. The selection of the weight function plays a key role in grid adaptation. A new weight function utilizing a properly weighted boolean sum of various flowfield characteristics is defined. The redistribution scheme is developed utilizing Non-Uniform Rational B-Splines (NURBS) representation. The application of NURBS representation results in a well distributed smooth grid by maintaining the fidelity of the geometry associated with boundary curves. Several algebraic methods are applied to smooth and/or nearly orthogonalize the grid lines. An elliptic solver is utilized to smooth the grid lines if there are grid crossings. Various computational examples of practical interest are presented to demonstrate the success of these methods.

Yang, Jiann-Cherng↗
DOE OSTI2021

Transport Modeling of Kinetically Limited Microscale Extraction Systems: Droplet and Supported Liquid Membrane Separations

Microfluidic droplet extraction devices can be used to efficiently measure solute phase transfer kinetics in liquid–liquid extraction systems. In this work, a droplet extraction apparatus was constructed using off-the-shelf and custom 3D printed parts for less than 110 USD. The interfacial kinetics of the transfer of Pu(IV) between an aqueous nitric acid phase and a 5 v/v% tridodecylamine (TDA) in toluene phase were characterized by determining the extent of Pu(IV) transfer between phases at different flow rates. Forward interfacial rate constants calculated from this data using an analytical model are 5.6 × 10 –3 mm s –1 under extraction (aqueous-to-organic solute transfer) conditions and 3.3 × 10 –3 mm s –1 under stripping (organic-to-aqueous solute transfer) conditions. The analytical model is valid when the rate of solute transfer across the interface between the two liquid phases has pseudo-first-order reversible reaction kinetics and is slow relative to the rate of solute transport to the interface. The change in the outlet concentration with residence time determined using the analytical model was compared with the results of a numerical model accounting for advection/diffusion to the interface in addition to kinetically limited interfacial solute transfer. These calculations revealed that for systems with forward interfacial rate constants greater than approximately 10 –2 mm s –1 , the analytical model must be supplemented with a numerical transport model accounting for an additional advection/diffusion mass transfer resistance. This threshold corresponds to a Damköhler number of one. The measured interfacial kinetic rate constants for Pu(IV)/TDA were used in a supported liquid membrane (SLM) numerical model, which showed that the Pu(IV) phase transfer kinetics are fast enough for use in a practical separation.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

An adaptive Hessian approximated stochastic gradient MCMC method

Bayesian approaches have been successfully integrated into training deep neural networks. One popular family is stochastic gradient Markov chain Monte Carlo methods (SG-MCMC), which have gained increasing interest due to their ability to handle large datasets and the potential to avoid overfitting. Although standard SG-MCMC methods have shown great performance in a variety of problems, they may be inefficient when the random variables in the target posterior densities have scale differences or are highly correlated. Here, we present an adaptive Hessian approximated stochastic gradient MCMC method to incorporate local geometric information while sampling from the posterior. The idea is to apply stochastic approximation (SA) to sequentially update a preconditioning matrix at each iteration. The preconditioner possesses second-order information and can guide the random walk of a sampler efficiently. Instead of computing and saving the full Hessian of the log posterior, we use limited memory of the samples and their stochastic gradients to approximate the inverse Hessian-vector multiplication in the updating formula. Moreover, by smoothly optimizing the preconditioning matrix via SA, our proposed algorithm can asymptotically converge to the target distribution with a controllable bias under mild conditions. To reduce the training and testing computational burden, we adopt a magnitude-based weight pruning method to enforce the sparsity of the network. Our method is user-friendly and demonstrates better learning results compared to standard SG-MCMC updating rules. The approximation of inverse Hessian alleviates storage and computational complexities for large dimensional models. Numerical experiments are performed on several problems, including sampling from 2D correlated distribution, synthetic regression problems, and learning the numerical solutions of heterogeneous elliptic PDE. The numerical results demonstrate great improvement in both the convergence rate and accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas

We propose a second-order temporally implicit, fourth-order-accurate spatial discretization scheme for the strongly anisotropic heat transport equation characteristic of hot, fusion-grade plasmas. Following Du Toit et al. (2018), the scheme transforms mixed-derivative diffusion fluxes (which are responsible for the lack of a discrete maximum principle) into nonlinear advective fluxes, amenable to nonlinear-solver-friendly monotonicity-preserving limiters. The scheme enables accurate multi-dimensional heat transport simulations with up to seven orders of magnitude of heat-transport-coefficient anisotropies with low cross-field numerical error pollution and excellent algorithmic performance, with the number of linear iterations scaling very weakly with grid resolution and grid anisotropy, and scaling with the square-root of the implicit timestep. We propose a multigrid preconditioning strategy based on a lower-order approximation that renders the scheme efficient and scalable under grid refinement. Several numerical tests are presented that display the expected spatial convergence rates and strong algorithmic performance, including fully nonlinear magnetohydrodynamics simulations of kink instabilities in a Bennett pinch in 2D helical geometry and of ITER in 3D toroidal geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1981

A new look at Fresnel field computation using the Jacobi-Bessel series

Computational procedures that would be useful in finding the Fresnel field from a knowledge of the Jacobi-Bessel expansion of the far field are considered. The range of validity of the Fresnel approximation is carefully examined by comparing it with the exact closed form solution for the uniform circular aperture. Also investigated numerically, and in great detail, is the range of validity (over theta) of the Fresnel small angle (FSA) approximation. For moderate sized apertures as small as 10 wavelengths, it is found that the FSA approximation is very accurate to angles as wide as four or more sidelobes (as seen in the far zone). A very efficient computational method is shown to exist for the radiation integral in the form of a single series expansion that is analytically continuous and convergent for a wide range of observation points in three-dimensional space.

Galindo-Israel, V.↗
NASA NTRS1995

Coronal heating by the resonant absorption of Alfven waves: Wavenumber scaling laws.

The importance of global modes in coronal loop heating is well established. In the present work the scaling of the global-mode resonant heating rate with the perturbation wavenumbers is studied with the numerical solution of the linearized time-dependent MHD equations for a full compressible, low-beta, resistive plasma using an implicit integration scheme. The numerical simulations demonstrate that the dissipation on inhomogeneties in the background Alfven speed occurs in narrow resonant layer with the highest heating rate at the global-mode frequency. The global-mode heating rate H (sub r) was found to scale as H (Sub r) approximately k (sub y) (exp 1.03) when k (sub z) = 0.1, and as H (sub r) approximately k (sub y) (exp -1.93) when k (sub z) = 0.75, where k (sub y) and k (sub z) are the wavenumbers in the perpendicular and parallel to the magnetic field directions, respectively, while the dependence of H (sub r) on k (sub z) is more complex. The quality factor Q of the MHD resonance cavity scales as Q approximately k (sub y) (exp -1.8) for k (sub z) = 0.75 and as Q approximately k (sub y) (exp -1.46) for k (sub z) = 0.1. The numerically determined heating rate scaling, the global-mode fequency, and the quality factor are in good agreement with the analytical linear theory. The magnitude of the perturbed velocities was found to decrease with k (sub y). Assuming typical coronal loop parameters (B (sub 0) = 100-200 G, upsilon (sub A) = 2000-4000 km/s), the Alfven waves can supply the required heating to a low-Q loops.

Ofman, L.↗
DOE OSTI2020

Hybridization effect on the x-ray absorption spectra for actinide materials: Application to PuB 4

Studying the local moment and 5 f -electron occupations sheds insight into the electronic behavior in actinide materials. X-ray absorption spectroscopy (XAS) has been a powerful tool to reveal the valence electronic structure when assisted with theoretical calculations. However, the analysis currently taken in the community on the branching ratio of the XAS spectra generally does not account for the hybridization effects between local f orbitals and conduction states. In this paper, we discuss an approach which employs the density functional theory plus Gutzwiller rotationally invariant slave boson method to obtain a local Hamiltonian for the single-impurity Anderson model, and calculates the XAS spectra by the exact diagonalization (ED) method. A customized numerical routine was implemented for the ED XAS part of the calculation. By applying this technique to the recently discovered 5 f -electron topological Kondo insulator Pu B 4 , we determined the signature of 5 f -electronic correlation effects in the theoretical x-ray spectra. Furthermore, we found that the Pu 5 f - 6 d hybridization effect provides an extra channel to mix the j = 5 / 2 and 7 / 2 orbitals in the 5 f valence. As a consequence, the resulting electron occupation number and spin-orbit coupling strength deviate from the intermediate-coupling regime.

36 MATERIALS SCIENCE↗
NASA NTRS1980

A symmetric modal formulation of fluid-structure interaction, including a static approximation to higher order fluid modes

A method of fluid-structure coupling which provides symmetrical matrix equations of standard form solved by existing finite element computer programs is presented. The method postulates that the uncoupled vibration modes of the fluid or the structure be calculated before the coupled analysis. A numerical solution of vibration modes in an axisymmetric container demonstrated that a static approximation to higher order fluid modes can improve the accuracy of dynamic response computations using modal methods.

Macneal, R. H.↗
DOE OSTI2021

On the Use of Smart Meter Data to Estimate the Voltage Magnitude on the Primary Side of Distribution Service Transformers

This paper develops a novel method to estimate the voltage magnitude on the primary side of distribution service transformers. The proposed method relies exclusively on smart meters, and therefore it is fully data-driven. This is an important feature because electric utilities have detailed models of only the primary network - that is, the network between the distribution substation and the primary side of service transformers that are installed closer to end-customer sites. The network that connects the secondary side of service transformers to end-customer sites, referred to as the secondary network, is simply represented by a lumped load. For each secondary network, the proposed method uses data acquired from only 2 smart meters: the closest and the farthest-in the sense of electrical distance - from the service transformer. As a reference to this feature, the proposed method is named SM2Vp. To our knowledge, this is the first time a method is shown to provide actionable information for realtime operation and control of power distribution grids using only two smart meters per secondary network. This is important because utilities have experienced barriers in managing and using large data sets for real-time operation and control. SM2Vp is primarily intended to provide pseudo-measurements for distribution system state estimation, but it can also be used directly for voltage control schemes. The performance of SM2Vp is demonstrated by numerical simulations carried out on three secondary network synthetic models and by using field data provided by a utility partner serving customers in southwestern California. A maximum relative error of approximately 3.9% or less is observed for the primary voltage magnitude estimates in all numerical experiments.

distribution service transformer↗
DOE OSTI2021

On the Use of Smart Meter Data to Estimate the Voltage Magnitude on the Primary Side of Distribution Service Transformers: Preprint

This paper develops a novel method to estimate the voltage magnitude on the primary side of distribution service transformers. The proposed method relies exclusively on smart meters, and therefore it is fully data-driven. This is an important feature because electric utilities have detailed models of only the primary network--that is, the network between the distribution substation and the primary side of service transformers that are installed closer to end-customer sites. The network that connects the secondary side of service transformers to end-customer sites, referred to as the secondary network, is simply represented by a lumped load. For each secondary network, the proposed method uses data acquired from only 2 smart meters: the closest and the farthest--in the sense of electrical distance--from the service transformer. As a reference to this feature, the proposed method is named SM2Vp. To our knowledge, this is the first time a method is shown to provide actionable information for real-time operation and control of power distribution grids using only two smart meters per secondary network. This is important because utilities have experienced barriers in managing and using large data sets for real-time operation and control. SM2Vp is primarily intended to provide pseudo-measurements for distribution system state estimation, but it can also be used directly for voltage control schemes. The performance of SM2Vp is demonstrated by numerical simulations carried out on three secondary network synthetic models and by using field data provided by a utility partner serving customers in southwestern California. A maximum relative error of approximately 3.9% or less is observed for the primary voltage magnitude estimates in all numerical experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

A fast and robust computational modeling approach for density and shape predictions in powder metallurgy hot isostatic pressing

Powder metallurgy hot isostatic pressing (PM-HIP) is an advanced manufacturing process that produces near-net-shape parts with high material utilization and uniform microstructures. PM-HIP is frequently used for producing small-scale parts with complicated geometries and is potentially economical for producing large-scale parts. However, excessive post-HIP shape distortions can reduce its effectiveness and economic advantage, especially for larger parts. A PM-HIP computational model can predict and help mitigate these distortions. However, due to complex deformation mechanisms and thermo-mechanical coupling present in PM-HIP processes, these non-linear computational models sometimes become numerically unstable. The numerical instabilities in these models can lead to very slow convergence or no convergence at all, which often translates to slow and unreliable models. These limitations are more pronounced in large models with complicated geometries. Hence, in this work, an alternative modeling approach is presented that improves numerical stability and computational performance. The presented approach achieves these improvements through approximating the fully coupled thermo-mechanical PM-HIP model as a decoupled model and adding inertial damping to the model’s mechanical part. In conclusion, a comparison with the fully coupled model indicated a slight dip in prediction accuracy (<5% error) but significant improvements in numerical stability (>20 times larger time step size) and computational performance (5-10 times speed-up with less computational resource usage) when using the presented approach.

Hot isostatic pressing↗
NASA NTRS1988

Gaussian approximation versus nearly exact performance analysis of optical communication systems with PPM signaling and APD receivers

A 25-Mb/s direct-detection optical communication system that used Q = 4 PPM (pulse-position modulation) signaling was constructed and its performance measured under laboratory conditions. The system used a single-mode AlGaAs laser diode (lambda = 834 nm) and low-noise silicon avalanche photodiode (APD). A procedure for numerically computing system performance is given that uses the nearly exact Webb approximation of the true Conradi distribution for the APD output and does not require excessive amounts of computer time. Comparison revealed that modeling the APD ouptut as a Gaussian process under conditions of negligible background radiation and low (less than 10 to the -12 A) APD bulk leakage currents leads to substantial underestimates of optimal APD gain and overestimates of system bit error probability. Examples illustrate the breakdown of the Gaussian approximation in assessing system performance. The measured performance was in excellent agreement with that predicted by the computational procedure. The system achieved a bit error probability of 10 to the -6 at a received signal energy, corresponding to an average of 60 absorbed photons/bit and optimal APD gain of 700.

Davidson, Frederic M.↗
NASA NTRS1990

Numerical simulation of transition in boundary layers

Different implications of employment of the temporal or spatial model in direct numerical simulations of transition based on the complete Navier-Stokes equations are outlined, and it is noted that in situations where approximations are not justified, the temporal model cannot be employed. The discussion is then concentrated on developing numerical methods for solving the Navier-Stokes equations based on the spatial model that are applicable for realistic situations for which the temporal model would not be valid. It is concluded that in the future numerical simulations based on the spatial approach will replace, to a large extent, the temporal simulations.

Fasel, H.↗
NASA NTRS1993

Autonomous vehicle motion control, approximate maps, and fuzzy logic

Progress on research on the control of actions of autonomous mobile agents using fuzzy logic is presented. The innovations described encompass theoretical and applied developments. At the theoretical level, results of research leading to the combined utilization of conventional artificial planning techniques with fuzzy logic approaches for the control of local motion and perception actions are presented. Also formulations of dynamic programming approaches to optimal control in the context of the analysis of approximate models of the real world are examined. Also a new approach to goal conflict resolution that does not require specification of numerical values representing relative goal importance is reviewed. Applied developments include the introduction of the notion of approximate map. A fuzzy relational database structure for the representation of vague and imprecise information about the robot's environment is proposed. Also the central notions of control point and control structure are discussed.

Ruspini, Enrique H.↗
DOE OSTI2023

Computational framework for modeling of physical process

Techniques, systems, and devices are described for providing a computational frame for estimating high-dimensional stochastic behaviors. In one exemplary aspect, a method for performing numerical estimation includes receiving a set of measurements of a stochastic behavior. The set of correlated measurements follows a non-standard probability distribution and is non-linearly correlated. Also, a non-linear relationship exists between a set of system variables that describes the stochastic behavior and a corresponding set of measurements. The method includes determining, based on the set of measurements, a numerical model of the stochastic behavior. The numerical model comprises a feature space comprising non-correlated features corresponding to the stochastic behavior. The non-correlated features have a dimensionality of M and the set of measurements has a dimensionality of N, M being smaller than N. The method includes generating a set of approximated system variables corresponding to the set of measurements based on the numerical model.

Chen, Xiao↗