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NASA NTRS2002

Containerless Ripple Turbulence

One of the longest standing unsolved problems in physics relates to the behavior of fluids that are driven far from equilibrium such as occurs when they become turbulent due to fast flow through a grid or tidal motions. In turbulent flows the distribution of vortex energy as a function of the inverse length scale [or wavenumber 'k'] of motion is proportional to 1/k(sup 5/3) which is the celebrated law of Kolmogorov. Although this law gives a good description of the average motion, fluctuations around the average are huge. This stands in contrast with thermally activated motion where large fluctuations around thermal equilibrium are highly unfavorable. The problem of turbulence is the problem of understanding why large fluctuations are so prevalent which is also called the problem of 'intermittency'. Turbulence is a remarkable problem in that its solution sits simultaneously at the forefront of physics, mathematics, engineering and computer science. A recent conference [March 2002] on 'Statistical Hydrodynamics' organized by the Los Alamos Laboratory Center for Nonlinear Studies brought together researchers in all of these fields. Although turbulence is generally thought to be described by the Navier-Stokes Equations of fluid mechanics the solution as well as its existence has eluded researchers for over 100 years. In fact proof of the existence of such a solution qualifies for a 1 M$ millennium prize. As part of our NASA funded research we have proposed building a bridge between vortex turbulence and wave turbulence. The latter occurs when high amplitude waves of various wavelengths are allowed to mutually interact in a fluid. In particular we have proposed measuring the interaction of ripples [capillary waves] that run around on the surface of a fluid sphere suspended in a microgravity environment. The problem of ripple turbulence poses similar mathematical challenges to the problem of vortex turbulence. The waves can have a high amplitude and a strong nonlinear interaction. Furthermore, the steady state distribution of energy again follows a Kolmogorov scaling law; in this case the ripple energy is distributed according to 1/k (sup 7/4). Again, in parallel with vortex turbulence ripple turbulence exhibits intermittency. The problem of ripple turbulence presents an experimental opportunity to generate data in a controlled, benchmarked system. In particular the surface of a sphere is an ideal environment to study ripple turbulence. Waves run around the sphere and interact with each other, and the effect of walls is eliminated. In microgravity this state can be realized for over 2 decades of frequency. Wave turbulence is a physically relevant problem in its own right. It has been studied on the surface of liquid hydrogen and its application to Alfven waves in space is a source of debate. Of course, application of wave turbulence perspectives to ocean waves has been a major success. The experiment which we plan to run in microgravity is conceptually straightforward. Ripples are excited on the surface of a spherical drop of fluid and then their amplitude is recorded with appropriate photography. A key challenge is posed by the need to stably position a 10cm diameter sphere of water in microgravity. Two methods are being developed. Orbitec is using controlled puffs of air from at least 6 independent directions to provided the positioning force. This approach has actually succeeded to position and stabilize a 4cm sphere during a KC 135 segment. Guigne International is using the radiation pressure of high frequency sound. These transducers have been organized into a device in the shape of a dodecahedron. This apparatus 'SPACE DRUMS' has already been approved for use for combustion synthesis experiments on the International Space Station. A key opportunity presented by the ripple turbulence data is its use in driving the development of codes to simulate its properties.

Putterman, Seth↗

DOE OSTI2023

Technology Strategy Assessment: Findings from Storage Innovations 2030 Bidirectional Hydrogen Storage

Hydrogen is the most common element in the universe, comprising nearly 75% of all normal matter, and it has been used by scientists for centuries, but it was not fully recognized as an element until 1766, when it was isolated by Henry Cavendish. Early work focused on the generation of hydrogen through the oxidation of metals in water, which released hydrogen gas. Hydrogen’s lighter-than-air and flammable properties were immediately used in engines, zeppelins, and as feedstock for a wide variety of chemical reactions. Several approaches were developed for the production of hydrogen with the most common being associated with the production and conversion of hydrocarbon-based fuels. Coal gasification, steam methane reforming, and other reformation processes provide the majority of current hydrogen production due to the relatively low cost of hydrogen produced through these processes. More than 95% of hydrogen production is used for industrial processes rather than energy storage. To facilitate affordable decarbonization of these industrial processes and to advance the use of hydrogen as a fuel in transportation, DOE launched the Hydrogen Shot as part of the Energy Earthshots Initiative. The goal of the Hydrogen Shot is to reduce the cost of clean hydrogen by 80% to $1/kg of clean hydrogen production within one decade (known as the “1 1 1” goal). This is distinct from the Long-Duration Storage Shot, which is the primary focus of this report; however, it is intrinsically linked to bidirectional hydrogen storage. Several important chemical synthesis processes are dependent upon hydrogen, and the production and use of hydrogen is generally driven by its connection to one of these markets. For example, ammonia is one of the most highly produced chemicals in the world and it depends chiefly on hydrogen. Ammonia is primarily used for agricultural fertilizer and is considered to be largely responsible for a doubling of agricultural production per unit of land over the last century. Another one of hydrogen’s primary uses is as a catalyst in petroleum refining during the desulfurization process. Beyond chemical production, hydrogen is used as a reductant in the production of steel and has been demonstrated as a substitute for metallurgical coal in the production of raw iron. It is even used in the hydrogenation reaction for food products to create more shelf-stable semi-solid fats. However, while hydrogen is produced on the order of 100 million metric tons/year globally to feed these industries, more than 95% of hydrogen is produced from hydrocarbons that emit CO2 during the process. Conversely, electrolysis is a process by which electricity is used to separate hydrogen and oxygen in water molecules, usually across a membrane. Hydrogen production via electrolysis lowers the carbon intensity of produced hydrogen when coupled with low-carbon electricity. Currently, global electrolysis capacity is on the order of 1 GW, which equates to about 500 metric tons/day of hydrogen production. To support large-scale industrial decarbonization, capacity will likely need to increase by two to three orders of magnitude. Electrolysis technology is broadly separated into groups that are defined by the electrolyte used, with further subdivision based on the operating characteristics. The majority of commercial electrolyzer systems are based around three main technology groups: liquid alkaline, proton exchange membrane, and solid oxide. Liquid Alkaline (LA) electrolysis is the oldest, most mature, least expensive, and most common commercial technology, with 400 plants in operation by 1902. Its hydrogen output is low relative to the size of the system due to a low current density. LA electrolysis utilizes a liquid potassium hydroxide solution as the electrolyte. Proton exchange membrane (PEM) electrolysis (also known as polymer electrolyte membrane electrolysis), described in 1960, relies on an acid-impregnated polymer membrane as the electrolyte and typically offers three to six times higher hydrogen production per unit cell area than LA electrolysis. Solid oxide electrolysis, or high-temperature electrolysis, utilizes a ceramic cell as the electrolyte and operates on steam rather than liquid water, enabling electrical efficiencies of more than 90%, which is up from 60% with PEM. Two pre-commercial electrolyzer technologies to note are alkaline exchange membrane (AEM) and proton-conducting solid oxide electrolysis cell (SOEC). AEM potentially has the advantages of both LA and PEM technologies in that it is able to use low-cost materials like LA but with the ability to operate at higher output pressures with a smaller footprint like PEM. Proton-conducting SOEC is similar to commercial SOEC, which uses an oxide-conducting ceramic; however, it uses a proton-conducting ceramic that has the potential to operate at lower temperatures and has lower capital costs. Each of these technologies is experiencing a rapid improvement in performance and a reduction in installed cost, and each appears to be well suited to specific applications. Besides differences in the type of electrolyzer used, the main difference in the architecture of bidirectional hydrogen systems is how the hydrogen is stored. Currently, the most cost-effective way to store large amounts of hydrogen gas is underground, such as in large salt caverns that have been hollowed out. These salt caverns are geographically concentrated in small portions of the United States and are not generally near large metropolitan areas; however, other subsurface architectures are being investigated to expand this reach. A more widely deployable option is aboveground pressurized tanks. These systems are about 10 times as expensive because of the materials and safety margins required to hold hydrogen at high pressures. A third option is using materials-based storage, such as liquid organic hydrogen carriers. By reversibly attaching the produced hydrogen to other molecules, it can be stored at near atmospheric pressure and room temperature. This has the potential to reduce the material cost of storage but may result in a reduction in the efficiency of the process because there are both hydrogen uptake and release processes. While materials-based storage has not been used extensively for large-scale hydrogen storage in the past, there is currently significant activity regarding developing materials and processes for use in large-scale hydrogen storage applications. Electrolysis-produced hydrogen offers an unusual opportunity for energy storage applications. Unlike more conventional energy storage approaches, such as batteries, which operate entirely within electrical markets, hydrogen is a valuable product beyond the electric market and can be directed to the most lucrative use. Hydrogen also can be directly converted back to electricity using either a fuel cell or turbine, or it can be sold to other markets, such as chemical synthesis, steel production, or even export. In this way, excess electricity can be upgraded to the most valuable product. Finally, its use can be actively managed between multiple off-takers; for example, local hydrogen storage can provide a specific amount of stored electricity and any excess can be exported to ammonia production. This flexibility is amplified by the fact that hydrogen storage has fully decoupled power and energy components, which allows for affordable scaling options. Together, this allows a substantial amount of creativity to enable the economic utilization of variable power resources while supporting decarbonization of the industry.

08 HYDROGEN↗

DOE OSTI2023

The r -modes of slowly rotating, stratified neutron stars

ABSTRACT The only r-modes that exist in a globally barotropic, rotating, Newtonian star are the fundamental l = |m| solutions, where l and m are the indices of the spherical harmonic $Y_l^m$ that describe the mode’s angular dependence. This is in stark contrast to a stellar model that is non-barotropic throughout its interior, which hosts all the l ≥ |m| perturbations including radial overtones. In reality, neutron stars are stratified with locally barotropic regions. Therefore, we explore how stratification alters a star’s ability to support r-modes. We consider the globally stratified case and examine the behaviour of the modes as the star gets close to barotropicity. In this limit, we find that all but the fundamental l = |m| perturbations change character and become generic inertial modes. Restricting the analysis to l = |m| perturbations, we develop the r-mode equations in order to consider stellar models that exhibit local barotropicity. Our results for such models show that the r-mode overtones diverge and join the inertial modes. In order to see which r-modes persist and retain their character in realistic neutron stars, these calculations will need to be brought into full general relativity.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Ameliorating the Courant-Friedrichs-Lewy condition in spherical coordinates: A double FFT filter method for general relativistic MHD in dynamical spacetimes

Numerical simulations of merging compact objects and their remnants form the theoretical foundation for gravitational wave and multimessenger astronomy. While Cartesian-coordinate-based adaptive mesh refinement is commonly used for simulations, spherical-like coordinates are more suitable for nearly spherical remnants and azimuthal flows due to lower numerical dissipation in the evolution of fluid angular momentum, as well as requiring fewer numbers of computational cells. However, the use of spherical coordinates to numerically solve hyperbolic partial differential equations can result in severe Courant-Friedrichs-Lewy (CFL) stability condition time step limitations, which can make simulations prohibitively expensive. This paper addresses this issue for the numerical solution of coupled spacetime and general relativistic magnetohydrodynamics evolutions by introducing a double fast Fourier transform (FFT) filter and implementing it within the fully message passing interface (mpi)-parallelized sphericalnr framework in the einstein toolkit. In conclusion, we demonstrate the effectiveness and robustness of the filtering algorithm by applying it to a number of challenging code tests, and show that it passes these tests effectively, demonstrating convergence while also increasing the time step significantly compared to unfiltered simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Distribution of centrality measures on undirected random networks via the cavity method

The Katz centrality of a node in a complex network is a measure of the node’s importance as far as the flow of information across the network is concerned. For ensembles of locally tree-like undirected random graphs, this observable is a random variable. Its full probability distribution is of interest but difficult to handle analytically because of its “global” character and its definition in terms of a matrix inverse. Leveraging a fast Gaussian Belief Propagation-Cavity algorithm to solve linear systems on tree-like structures, we show that i) the Katz centrality of a single instance can be computed recursively in a very fast way, and ii) the probability P ( K ) that a random node in the ensemble of undirected random graphs has centrality K satisfies a set of recursive distributional equations, which can be analytically characterized and efficiently solved using a population dynamics algorithm. We test our solution on ensembles of Erdős-Rényi and Scale Free networks in the locally tree-like regime, with excellent agreement. The analytical distribution of centrality for the configuration model conditioned on the degree of each node can be employed as a benchmark to identify nodes of empirical networks with over- and underexpressed centrality relative to a null baseline. We also provide an approximate formula based on a rank- 1 projection that works well if the network is not too sparse, and we argue that an extension of our method could be efficiently extended to tackle analytical distributions of other centrality measures such as PageRank for directed networks in a transparent and user-friendly way.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Theories derived from Haissinski equation and their applications to electron storage rings

As a stationary solution of the Vlasov–Fokker–Planck equation, the Haissinski equation predicts the equilibrium line density of a bunch that circulates in a storage ring for a given wake function. The research in this paper shows that some equations regarding the centroid shift of the bunch, the peak position of the bunch profile, bunch length, and the impedance from the bunch profile can be derived from the Haissinski equation in a self-consistent manner. Specifically, a generalized quadratic equation for potential-well bunch lengthening is derived to accommodate any arbitrary impedance model (that is, the impedance spectrum under consideration can take any form). This expands upon Zotter's cubic equation, which is primarily applicable to inductive impedance. The equations derived in this paper are tested using computed impedance models for some electron storage rings, showing machine-dependent properties of impedance effects. We conclude that these equations can be employed in electron storage rings to effectively bridge the gap between impedance computations and beam-based measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1991

Robust control of systems with real parameter uncertainty and unmodelled dynamics

During this research period we have made significant progress in the four proposed areas: (1) design of robust controllers via H infinity optimization; (2) design of robust controllers via mixed H2/H infinity optimization; (3) M-delta structure and robust stability analysis for structured uncertainties; and (4) a study on controllability and observability of perturbed plant. It is well known now that the two-Riccati-equation solution to the H infinity control problem can be used to characterize all possible stabilizing optimal or suboptimal H infinity controllers if the optimal H infinity norm or gamma, an upper bound of a suboptimal H infinity norm, is given. In this research, we discovered some useful properties of these H infinity Riccati solutions. Among them, the most prominent one is that the spectral radius of the product of these two Riccati solutions is a continuous, nonincreasing, convex function of gamma in the domain of interest. Based on these properties, quadratically convergent algorithms are developed to compute the optimal H infinity norm. We also set up a detailed procedure for applying the H infinity theory to robust control systems design. The desire to design controllers with H infinity robustness but H(exp 2) performance has recently resulted in mixed H(exp 2) and H infinity control problem formulation. The mixed H(exp 2)/H infinity problem have drawn the attention of many investigators. However, solution is only available for special cases of this problem. We formulated a relatively realistic control problem with H(exp 2) performance index and H infinity robustness constraint into a more general mixed H(exp 2)/H infinity problem. No optimal solution yet is available for this more general mixed H(exp 2)/H infinity problem. Although the optimal solution for this mixed H(exp 2)/H infinity control has not yet been found, we proposed a design approach which can be used through proper choice of the available design parameters to influence both robustness and performance. For a large class of linear time-invariant systems with real parametric perturbations, the coefficient vector of the characteristic polynomial is a multilinear function of the real parameter vector. Based on this multilinear mapping relationship together with the recent developments for polytopic polynomials and parameter domain partition technique, we proposed an iterative algorithm for coupling the real structured singular value.

Chang, Bor-Chin↗

NASA NTRS1986

Effects of eddy initial conditions on nonlinear forcing of planetary scale waves by amplifying baroclinic eddies

The previous study of Young and Villere concerning growth of planetary scale waves forced by wave-wave interactions of amplifying intermediate scale baroclinic eddies is extended to investigate effects of different eddy initial conditions. A global, spectral, primitive equation model is used for the calculations. For every set of eddy initial conditions considered, growth rates of planetary modes are considerably greater than growth rates computed from linear instability theory for a fixed zonally independent basic state. However, values of growth rates ranged over a factor of 3 depending on the particular set of eddy initial conditions used. Nonlinear forcing of planetary modes via wave-wave coupling becomes more important than baroclinic growth on the basic state at small values of the intermediate-scale modal amplitudes. The relative importance of direct transfer of kinetic energy from intermediate scales of motion to a planetary mode, compared to baroclinic conversion of available potential energy to kinetic energy within that planetary mode, depends on the individual case. In all cases, however, the transfer of either kinetic or available potential energy to the planetary modes was accomplished principally by wave-wave transfer from intermediate scale eddies, rather than from the zonally averaged state. The zonal wavenumber 2 planetary mode was prominent in all solutions, even in those for which eddy initial conditions were such that a different planetary mode was selectively forced at the start. General characteristics of the structural evolution of the planetary wave components of total heat and momentum flux, and modal structures themselves, were relatively insensitive to variations in eddy initial conditions, even though quantitative details varied from case to case.

Young, Richard E.↗

DOE OSTI2021

Train Like a (Var)Pro: Efficient Training of Neural Networks with Variable Projection

Deep neural networks (DNNs) have achieved state-of-the-art performance across a variety of traditional machine learning tasks, e.g., speech recognition, image classification, and segmentation. The ability of DNNs to efficiently approximate high-dimensional functions has also motivated their use in scientific applications, e.g., to solve partial differential equations and to generate surrogate models. In this paper, we consider the supervised training of DNNs, which arises in many of the above applications. We focus on the central problem of optimizing the weights of the given DNN such that it accurately approximates the relation between observed input and target data. Devising effective solvers for this optimization problem is notoriously challenging due to the large number of weights, nonconvexity, data sparsity, and nontrivial choice of hyperparameters. To solve the optimization problem more efficiently, we propose the use of variable projection (VarPro), a method originally designed for separable nonlinear least-squares problems. Our main contribution is the Gauss--Newton VarPro method (GNvpro) that extends the reach of the VarPro idea to nonquadratic objective functions, most notably cross-entropy loss functions arising in classification. These extensions make GNvpro applicable to all training problems that involve a DNN whose last layer is an affine mapping, which is common in many state-of-the-art architectures. In our four numerical experiments from surrogate modeling, segmentation, and classification, GNvpro solves the optimization problem more efficiently than commonly used stochastic gradient descent (SGD) schemes. Finally, GNvpro finds solutions that generalize well, and in all but one example better than well-tuned SGD methods, to unseen data points.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1999

Multi-Body Analysis of the 1/5 Scale Wind Tunnel Model of the V-22 Tiltrotor

The paper presents a multi-body analysis of the 1/5 scale wind tunnel model of the V-22 tiltrotor, the Wing and Rotor Aeroelastic Testing System (WRATS), currently tested at NASA Langley Research Center. An original multi-body formulation has been developed at the Dipartimento di Ingegneria Aerospaziale of the Politecnico di Milano, Italy. It is based on the direct writing of the equilibrium equations of independent rigid bodies, connected by kinematic constraints that result in the addition of algebraic constraint equations, and by dynamic constraints, that directly contribute to the equilibrium equations. The formulation has been extended to the simultaneous solution of interdisciplinary problems by modeling electric and hydraulic networks, for aeroservoelastic problems. The code has been tailored to the modeling of rotorcrafts while preserving a complete generality. A family of aerodynamic elements has been introduced to model high aspect aerodynamic surfaces, based on the strip theory, with quasi-steady aerodynamic coefficients, compressibility, post-stall interpolation of experimental data, dynamic stall modeling, and radial flow drag. Different models for the induced velocity of the rotor can be used, from uniform velocity to dynamic in flow. A complete dynamic and aeroelastic analysis of the model of the V-22 tiltrotor has been performed, to assess the validity of the formulation and to exploit the unique features of multi-body analysis with respect to conventional comprehensive rotorcraft codes; These are the ability to model the exact kinematics of mechanical systems, and the possibility to simulate unusual maneuvers and unusual flight conditions, that are particular to the tiltrotor, e.g. the conversion maneuver. A complete modal validation of the analytical model has been performed, to assess the ability to reproduce the correct dynamics of the system with a relatively coarse beam model of the semispan wing, pylon and rotor. Particular care has been used to model the kinematics of the gimbal joint, that characterizes the rotor hub, and of the control system, consisting in the entire swashplate mechanism. The kinematics of the fixed and the rotating plates have been modeled, with variable length control links used to input the controls, the rotating flexible links, the pitch horns and the pitch bearings. The investigations took advantage of concurring wind tunnel test runs, that were performed in August 1998, and allowed the acquisition of data specific to the multi-body analysis.

Ghiringhelli, G. L.↗

NASA NTRS1995

Analysis of the two-point velocity correlations in turbulent boundary layer flows

The general objective of the present work is to explore the use of Rapid Distortion Theory (RDT) in analysis of the two-point statistics of the log-layer. RDT is applicable only to unsteady flows where the non-linear turbulence-turbulence interaction can be neglected in comparison to linear turbulence-mean interactions. Here we propose to use RDT to examine the structure of the large energy-containing scales and their interaction with the mean flow in the log-region. The contents of the work are twofold: First, two-point analysis methods will be used to derive the law-of-the-wall for the special case of zero mean pressure gradient. The basic assumptions needed are one-dimensionality in the mean flow and homogeneity of the fluctuations. It will be shown that a formal solution of the two-point correlation equation can be obtained as a power series in the von Karman constant, known to be on the order of 0.4. In the second part, a detailed analysis of the two-point correlation function in the log-layer will be given. The fundamental set of equations and a functional relation for the two-point correlation function will be derived. An asymptotic expansion procedure will be used in the log-layer to match Kolmogorov's universal range and the one-point correlations to the inviscid outer region valid for large correlation distances.

Oberlack, M.↗

DOE OSTI2026

Optimization techniques in self-similar compressible flow

We investigate the one-dimensional (1D) inviscid compressible flow equations for an ideal gas through the lens of optimization techniques. It is the case that, to our knowledge, optimization analysis applied to the so-called “linear velocity” solutions of the Euler compressible flow equations has not been previously conducted. Through both gradient-based and variational techniques, new variants of well-studied flow scenarios, i.e., self-similar, 1D, linear velocity solution class to idealized inviscid compressible flow equations, are determined, as encoded in both the kinematic and thermodynamic properties of this self-similar solution class. With the kinematics of the said solutions being driven by a self-similar “scale radius” and the thermodynamics being driven separately through the appearance of an arbitrary function, a myriad of new solution classes is possible. Acting as a guide to more realistic physical circumstances as well as discovery, it is the hope that the presented cases serve as the framework for future investigations into the intersection of self-similarity and optimization techniques. Fields of study that may find this work to be of interest include aerodynamic design, flow control, inertial confinement fusion, physics-informed neural networks, and other related areas of interest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Background independent quantum field theory and gravitating vacuum fluctuations

The scale dependent effective average action for quantum gravity complies with the fundamental principle of Background Independence. Ultimately the background metric it formally depends on is selected self-consistently by means of a tadpole condition, a generalization of Einstein’s equation. Self-consistent background spacetimes are scale dependent, and therefore “going on-shell” at the points along a given renormalization group (RG) trajectory requires understanding two types of scale dependencies: the (familiar) direct one carried by the off-shell action functional, and an equally important indirect one related to the continual re-adjustment of the background geometry. This paper is devoted to a careful delineation and analysis of certain general questions concerning the indirect scale dependence, as well as a detailed explicit investigation of the case where the self-consistent metrics are determined predominantly by the RG running of the cosmological constant. Mathematically, the object of interest is the spectral flow induced by the background Laplacian which, on-shell, acquires an explicit scale dependence. Among other things, it encodes the complete information about the specific set of field modes which, at any given scale, are the degrees of freedom constituting the respective effective field theory. For a large class of RG trajectories (Type IIIa) we discover a seemingly paradoxical behavior that differs substantially from the off-shell based expectations: A Background Independent theory of (matter coupled) quantum gravity looses rather than gains degrees of freedom at increasing energies. As an application, we investigate to what extent it is possible to reformulate the exact theory in terms of matter and gravity fluctuations on a rigid flat space. It turns out that, in vacuo, this “rigid picture” breaks down after a very short RG time already (less than one decade of scales) because of a “scale horizon” that forms. Furthermore, we critically reanalyze and refute the frequent claim that the huge energy densities one obtains in standard quantum field theory by summing up to zero-point energies imply a naturalness problem for the observed small value of the cosmological constant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2013

Comparative Study on High-Order Positivity-preserving WENO Schemes

In gas dynamics and magnetohydrodynamics flows, physically, the density and the pressure p should both be positive. In a standard conservative numerical scheme, however, the computed internal energy is obtained by subtracting the kinetic energy from the total energy, resulting in a computed p that may be negative. Examples are problems in which the dominant energy is kinetic. Negative may often emerge in computing blast waves. In such situations the computed eigenvalues of the Jacobian will become imaginary. Consequently, the initial value problem for the linearized system will be ill posed. This explains why failure of preserving positivity of density or pressure may cause blow-ups of the numerical algorithm. The adhoc methods in numerical strategy which modify the computed negative density and/or the computed negative pressure to be positive are neither a conservative cure nor a stable solution. Conservative positivity-preserving schemes are more appropriate for such flow problems. The ideas of Zhang & Shu (2012) and Hu et al. (2012) precisely address the aforementioned issue. Zhang & Shu constructed a new conservative positivity-preserving procedure to preserve positive density and pressure for high-order WENO schemes by the Lax-Friedrichs flux (WENO/LLF). In general, WENO/LLF is too dissipative for flows such as turbulence with strong shocks computed in direct numerical simulations (DNS) and large eddy simulations (LES). The new conservative positivity-preserving procedure proposed in Hu et al. (2012) can be used with any high-order shock-capturing scheme, including high-order WENO schemes using the Roe's flux (WENO/Roe). The goal of this study is to compare the results obtained by non-positivity-preserving methods with the recently developed positivity-preserving schemes for representative test cases. In particular the more difficult 3D Noh and Sedov problems are considered. These test cases are chosen because of the negative pressure/density most often exhibited by standard high-order shock-capturing schemes. The simulation of a hypersonic nonequilibrium viscous shock tube that is related to the NASA Electric Arc Shock Tube (EAST) is also included. EAST is a high-temperature and high Mach number viscous nonequilibrium flow consisting of 13 species. In addition, as most common shock-capturing schemes have been developed for problems without source terms, when applied to problems with nonlinear and/or sti source terms these methods can result in spurious solutions, even when solving a conservative system of equations with a conservative scheme. This kind of behavior can be observed even for a scalar case (LeVeque & Yee 1990) as well as for the case consisting of two species and one reaction (Wang et al. 2012). For further information concerning this issue see (LeVeque & Yee 1990; Griffiths et al. 1992; Lafon & Yee 1996; Yee et al. 2012). This EAST example indicated that standard high-order shock-capturing methods exhibit instability of density/pressure in addition to grid-dependent discontinuity locations with insufficient grid points. The evaluation of these test cases is based on the stability of the numerical schemes together with the accuracy of the obtained solutions.

WENO↗

NASA NTRS2014

Assessment of the Accuracy of the Conventional Ray-Tracing Technique: Implications in Remote Sensing and Radiative Transfer Involving Ice Clouds.

A fundamental problem in remote sensing and radiative transfer simulations involving ice clouds is the ability to compute accurate optical properties for individual ice particles. While relatively simple and intuitively appealing, the conventional geometric-optics method (CGOM) is used frequently for the solution of light scattering by ice crystals. Due to the approximations in the ray-tracing technique, the CGOM accuracy is not well quantified. The result is that the uncertainties are introduced that can impact many applications. Improvements in the Invariant Imbedding T-matrix method (II-TM) and the Improved Geometric-Optics Method (IGOM) provide a mechanism to assess the aforementioned uncertainties. The results computed by the II-TMþIGOM are considered as a benchmark because the IITM solves Maxwell's equations from first principles and is applicable to particle size parameters ranging into the domain at which the IGOM has reasonable accuracy. To assess the uncertainties with the CGOM in remote sensing and radiative transfer simulations, two independent optical property datasets of hexagonal columns are developed for sensitivity studies by using the CGOM and the II-TMþIGOM, respectively. Ice cloud bulk optical properties obtained from the two datasets are compared and subsequently applied to retrieve the optical thickness and effective diameter from Moderate Resolution Imaging Spectroradiometer (MODIS) measurements. Additionally, the bulk optical properties are tested in broadband radiative transfer (RT) simulations using the general circulation model (GCM) version of the Rapid Radiative Transfer Model (RRTMG) that is adopted in the National Center for Atmospheric Research (NCAR) Community Atmosphere Model (CAM, version 5.1). For MODIS retrievals, the mean bias of uncertainties of applying the CGOM in shortwave bands (0.86 and 2.13 micrometers) can be up to 5% in the optical thickness and as high as 20% in the effective diameter, depending on cloud optical thickness and effective diameter. In the MODIS infrared window bands centered at 8.5, 11, and 12 micrometers biases in the optical thickness and effective diameter are up to 12% and 10%, respectively. The CGOM-based simulation errors in ice cloud radiative forcing calculations are on the order of 10Wm(exp 2).

remote sensing↗

DOE OSTI2022

3-regular three-XORSAT planted solutions benchmark of classical and quantum heuristic optimizers

With current semiconductor technology reaching its physical limits, special-purpose hardware has emerged as an option to tackle specific computing-intensive challenges. Optimization in the form of solving quadratic unconstrained binary optimization problems, or equivalently Ising spin glasses, has been the focus of several new dedicated hardware platforms. These platforms come in many different flavors, from highly-efficient hardware implementations on digital-logic of established algorithms to proposals of analog hardware implementing new algorithms. In this work, we use a mapping of a specific class of linear equations whose solutions can be found efficiently, to a hard constraint satisfaction problem (three-regular three-XORSAT, or an Ising spin glass) with a 'golf-course' shaped energy landscape, to benchmark several of these different approaches. We perform a scaling and prefactor analysis of the performance of Fujitsu's digital annealer unit (DAU), the D-Wave advantage quantum annealer, a virtual MemComputing machine, Toshiba's simulated bifurcation machine (SBM), the SATonGPU algorithm from Bernaschi et al, and our implementation of parallel tempering. We identify the SATonGPU and DAU as currently having the smallest scaling exponent for this benchmark, with SATonGPU having a small scaling advantage and in addition having by far the smallest prefactor thanks to its use of massive parallelism. Furthermore, our work provides an objective assessment and a snapshot of the promise and limitations of dedicated optimization hardware relative to a particular class of optimization problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Resonance cones in cold plasma: Origin, singularities, and power flow

In magnetized tenuous plasma, typical at the plasma edge of fusion devices, a nearly electrostatic wave mode with relatively enhanced electric field can propagate along a specific angle with the magnetic field. For this characteristic, it is known as a “resonance cone.” For instance, these waves can be excited by radio frequency antennas in the ion-cyclotron and lower-hybrid range of frequencies. We consider the resonance cones emitted by idealized spatially extended sources. In 2D, we use a novel geometric construction which generalizes the d'Alembert solution to curved boundaries/moving sources, and show, for the first time, that singular electric fields arise under these conditions, thereby bringing the resonance cones in line with the other resonances of the cold plasma theory. Still in 2D, we give an expression for the amount of power radiated by resonance cones in terms of surface quantities on the source, which is finite despite the singular electric field. In conclusion, we generalize the conclusions regarding the presence and location of singular electric fields to the 3D electromagnetic case.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1999

Integrated Modeling Tools for Thermal Analysis and Applications

Integrated modeling of spacecraft systems is a rapidly evolving area in which multidisciplinary models are developed to design and analyze spacecraft configurations. These models are especially important in the early design stages where rapid trades between subsystems can substantially impact design decisions. Integrated modeling is one of the cornerstones of two of NASA's planned missions in the Origins Program -- the Next Generation Space Telescope (NGST) and the Space Interferometry Mission (SIM). Common modeling tools for control design and opto-mechanical analysis have recently emerged and are becoming increasingly widely used. A discipline that has been somewhat less integrated, but is nevertheless of critical concern for high precision optical instruments, is thermal analysis and design. A major factor contributing to this mild estrangement is that the modeling philosophies and objectives for structural and thermal systems typically do not coincide. Consequently the tools that are used in these discplines suffer a degree of incompatibility, each having developed along their own evolutionary path. Although standard thermal tools have worked relatively well in the past. integration with other disciplines requires revisiting modeling assumptions and solution methods. Over the past several years we have been developing a MATLAB based integrated modeling tool called IMOS (Integrated Modeling of Optical Systems) which integrates many aspects of structural, optical, control and dynamical analysis disciplines. Recent efforts have included developing a thermal modeling and analysis capability, which is the subject of this article. Currently, the IMOS thermal suite contains steady state and transient heat equation solvers, and the ability to set up the linear conduction network from an IMOS finite element model. The IMOS code generates linear conduction elements associated with plates and beams/rods of the thermal network directly from the finite element structural model. Conductances for temperature varying materials are accommodated. This capability both streamlines the process of developing the thermal model from the finite element model, and also makes the structural and thermal models compatible in the sense that each structural node is associated with a thermal node. This is particularly useful when the purpose of the analysis is to predict structural deformations due to thermal loads. The steady state solver uses a restricted step size Newton method, and the transient solver is an adaptive step size implicit method applicable to general differential algebraic systems. Temperature dependent conductances and capacitances are accommodated by the solvers. In addition to discussing the modeling and solution methods. applications where the thermal modeling is "in the loop" with sensitivity analysis, optimization and optical performance drawn from our experiences with the Space Interferometry Mission (SIM), and the Next Generation Space Telescope (NGST) are presented.

Milman, Mark H.↗