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Stage-local partitioned two-step runge-kutta methods for large systems of ordinary differential equations

We introduce stage-local partitioned two-step Runge-Kutta methods are an extension of standard two-step Runge-Kutta methods, which are an alternative to the standard additive two-step Runge-Kutta methods currently existing in the literature. Furthermore, these new schemes are designed with an eye towards truly N-partitioned systems and leverage local stage approximations to make several computationally interesting approximations viable. Specifically, the focus on local stage approximations makes possible the construction of truly asynchronous schemes, in the parallel sense, possible. In addition, we show that an implicit-explicit approach to these schemes can lead to methods that require the inversion of only local nonlinear systems.

Applied Dynamical Systems↗

The Gas Distribution in the Outer Regions of Galaxy Clusters

Aims. We present our analysis of a local (z = 0.04 - 0.2) sample of 31 galaxy clusters with the aim of measuring the density of the X-ray emitting gas in cluster outskirts. We compare our results with numerical simulations to set constraints on the azimuthal symmetry and gas clumping in the outer regions of galaxy clusters. Methods. We have exploited the large field-of-view and low instrumental background of ROSAT/PSPC to trace the density of the intracluster gas out to the virial radius, We stacked the density profiles to detect a signal beyond T200 and measured the typical density and scatter in cluster outskirts. We also computed the azimuthal scatter of the profiles with respect to the mean value to look for deviations from spherical symmetry. Finally, we compared our average density and scatter profiles with the results of numerical simulations. Results. As opposed to some recent Suzaku results, and confirming previous evidence from ROSAT and Chandra, we observe a steepening of the density profiles beyond approximately r(sub 500). Comparing our density profiles with simulations, we find that non-radiative runs predict density profiles that are too steep, whereas runs including additional physics and/ or treating gas clumping agree better with the observed gas distribution. We report high-confidence detection of a systematic difference between cool-core and non cool-core clusters beyond approximately 0.3r(sub 200), which we explain by a different distribution of the gas in the two classes. Beyond approximately r(sub 500), galaxy clusters deviate significantly from spherical symmetry, with only small differences between relaxed and disturbed systems. We find good agreement between the observed and predicted scatter profiles, but only when the 1% densest clumps are filtered out in the ENZO simulations. Conclusions. Comparing our results with numerical simulations, we find that non-radiative simulations fail to reproduce the gas distribution, even well outside cluster cores. Although their general behavior agrees more closely with the observations, simulations including cooling and star formation convert a large amount of gas into stars, which results in a low gas fraction with respect to the observations. Consequently, a detailed treatment of gas cooling, star formation, AGN feedback, and consideration of gas clumping is required to construct realistic models of the outer regions of clusters.

Eckert, D.↗

Blocking Losses With a Photon Counter

It was not known how to assess accurately losses in a communications link due to photodetector blocking, a phenomenon wherein a detector is rendered inactive for a short time after the detection of a photon. When used to detect a communications signal, blocking leads to losses relative to an ideal detector, which may be measured as a reduction in the communications rate for a given received signal power, or an increase in the signal power required to support the same communications rate. This work involved characterizing blocking losses for single detectors and arrays of detectors. Blocking may be mitigated by spreading the signal intensity over an array of detectors, reducing the count rate on any one detector. A simple approximation was made to the blocking loss as a function of the probability that a detector is unblocked at a given time, essentially treating the blocking probability as a scaling of the detection efficiency. An exact statistical characterization was derived for a single detector, and an approximation for multiple detectors. This allowed derivation of several accurate approximations to the loss. Methods were also derived to account for a rise time in recovery, and non-uniform illumination due to diffraction and atmospheric distortion of the phase front. It was assumed that the communications signal is intensity modulated and received by an array of photon-counting photodetectors. For the purpose of this analysis, it was assumed that the detectors are ideal, in that they produce a signal that allows one to reproduce the arrival times of electrons, produced either as photoelectrons or from dark noise, exactly. For single detectors, the performance of the maximum-likelihood (ML) receiver in blocking is illustrated, as well as a maximum-count (MC) receiver, that, when receiving a pulse-position-modulated (PPM) signal, selects the symbol corresponding to the slot with the largest electron count. Whereas the MC receiver saturates at high count rates, the ML receiver may not. The loss in capacity, symbol-error-rate (SER), and count-rate were numerically computed. It was shown that the capacity and symbol-error-rate losses track, whereas the count-rate loss does not generally reflect the SER or capacity loss, as the slot-statistics at the detector output are no longer Poisson. It is also shown that the MC receiver loss may be accurately predicted for dead times on the order of a slot.

Moision, Burce E.↗

Yawed-Rolling Tire Mechanical Properties Testing of the Navy T-45 Aircraft Tires

The T-45 Goshawk is a United States Navy Jet aircraft used primarily as a trainer. The aircraft design makes use of "off the shelf" hardware as much as possible and was found to have unusual directional control issues during around operations. The aircraft was involved in numerous pilot-induced-oscillation incidents as well as observed to have unusual directional control reactions to failed main gear tires, a condition that is normally handled relatively easily by conventional aircraft steering control techniques. The behavior of the aircraft's tires had previously been modeled in simulators as a result of approximations provided in 40-year-old reference publications. Since knowledge of the true tire cornering and braking behavior is essential to modeling, understanding, and fixing directional control problems, the United States Navy requested assistance from the NASA Langley Research Center's (LARC) Aircraft Landing Dynamics Facility (ALDF) to define the yawed-rolling mechanical properties of the T-45 aircraft tires. The purpose of this report is to document the results of testing the subject tires at the NASA LaRC ALDF in September 1998. Brief descriptions of the Instrumented Tire Test Vehicle (ITTV) are included to familiarize the reader with the ITTV capabilities, data acquisition system, test and measurement techniques, data accuracy, and analysis and presentation of the testing results.

Daugherty, Robert H.↗

The Gas Distribution in Galaxy Cluster Outer Regions

Aims. We present the analysis of a local (z = 0.04 - 0.2) sample of 31 galaxy clusters with the aim of measuring the density of the X-ray emitting gas in cluster outskirts. We compare our results with numerical simulations to set constraints on the azimuthal symmetry and gas clumping in the outer regions of galaxy clusters. Methods. We exploit the large field-of-view and low instrumental background of ROSAT/PSPC to trace the density of the intracluster gas out to the virial radius. We perform a stacking of the density profiles to detect a signal beyond r200 and measure the typical density and scatter in cluster outskirts. We also compute the azimuthal scatter of the profiles with respect to the mean value to look for deviations from spherical symmetry. Finally, we compare our average density and scatter profiles with the results of numerical simulations. Results. As opposed to some recent Suzaku results, and confirming previous evidence from ROSAT and Chandra, we observe a steepening of the density profiles beyond approximately r(sub 500). Comparing our density profiles with simulations, we find that non-radiative runs predict too steep density profiles, whereas runs including additional physics and/or treating gas clumping are in better agreement with the observed gas distribution. We report for the first time the high-confidence detection of a systematic difference between cool-core and non-cool core clusters beyond 0.3r(sub 200), which we explain by a different distribution of the gas in the two classes. Beyond r(sub 500), galaxy clusters deviate significantly from spherical symmetry, with only little differences between relaxed and disturbed systems. We find good agreement between the observed and predicted scatter profiles, but only when the 1% densest clumps are filtered out in the simulations. Conclusions. Comparing our results with numerical simulations, we find that non-radiative simulations fail to reproduce the gas distribution, even well outside cluster cores. Although their general behavior is in better agreement with the observations, simulations including cooling and star formation convert a large amount of gas into stars, which results in a low gas fraction with respect to the observations. Consequently, a detailed treatment of gas cooling, star formation, AGN feedback, and taking into account gas clumping is required to construct realistic models of cluster outer regions.

Eckert, D.↗

Direct Numerical Simulation of an Airfoil with Sand Grain Roughness on the Leading Edge

As part of a computational study of acoustic radiation due to the passage of turbulent boundary layer eddies over the trailing edge of an airfoil, the Lattice-Boltzmann method is used to perform direct numerical simulations of compressible, low Mach number flow past an NACA 0012 airfoil at zero degrees angle of attack. The chord Reynolds number of approximately 0.657 million models one of the test conditions from a previous experiment by Brooks, Pope, and Marcolini at NASA Langley Research Center. A unique feature of these simulations involves direct modeling of the sand grain roughness on the leading edge, which was used in the abovementioned experiment to trip the boundary layer to fully turbulent flow. This report documents the findings of preliminary, proof-of-concept simulations based on a narrow spanwise domain and a limited time interval. The inclusion of fully-resolved leading edge roughness in this simulation leads to significantly earlier transition than that in the absence of any roughness. The simulation data is used in conjunction with both the Ffowcs Williams-Hawkings acoustic analogy and a semi-analytical model by Roger and Moreau to predict the farfield noise. The encouraging agreement between the computed noise spectrum and that measured in the experiment indicates the potential payoff from a full-fledged numerical investigation based on the current approach. Analysis of the computed data is used to identify the required improvements to the preliminary simulations described herein.

Ribeiro, Andre F. P.↗

Direct Numerical Simulation of Hypersonic Turbulent Boundary Layer inside an Axisymmetric Nozzle

As a first step toward a study of acoustic disturbance field within a conventional, hypersonic wind tunnel, direct numerical simulations (DNS) of a Mach 6 turbulent boundary layer on the inner wall of a straight axisymmetric nozzle are conducted and the results are compared with those for a flat plate. The DNS results for a nozzle radius to boundary-layer thickness ratio of 5:5 show that the turbulence statistics of the nozzle-wall boundary layer are nearly unaffected by the transverse curvature of the nozzle wall. Before the acoustic waves emanating from different parts of the nozzle surface can interfere with each other and undergo reflections from adjacent portions of the nozzle surface, the rms pressure fluctuation beyond the boundary layer edge increases toward the nozzle axis, apparently due to a focusing effect inside the axisymmetric configuration. Spectral analysis of pressure fluctuations at both the wall and the freestream indicates a similar distribution of energy content for both the nozzle and the flat plate, with the peak of the premultiplied frequency spectrum at a frequency of [(omega)(delta)]/U(sub infinity) approximately 6.0 inside the free stream and at [(omega)(delta)]/U(sub infinity) approximately 2.0 along the wall. The present results provide the basis for follow-on simulations involving reverberation effects inside the nozzle.

Huang, Junji↗

ThinCurr: An open-source 3D thin-wall eddy current modeling code for the analysis of large-scale systems of conducting structures

In this paper we present a new thin-wall eddy current modeling code, ThinCurr, for studying inductively-coupled currents in 3D conducting structures -- with primary application focused on the interaction between currents flowing in coils, plasma, and conducting structures of magnetically-confined plasma devices. The code utilizes a boundary finite element method on an unstructured, triangular grid to accurately capture device structures. The new code, part of the broader Open FUSION Toolkit, is open-source and designed for ease of use without sacrificing capability and speed through a combination of Python, Fortran, and C/C++ components. Scalability to large models is enabled through use of hierarchical off-diagonal low-rank compression of the inductance matrix, which is otherwise dense. Ease of handling large models of complicated geometry is further supported by automatic determination of supplemental elements through a greedy homology approach. Here, a detailed description of the numerical methods of the code and verification of the implementation of those methods using cross-code comparisons against the VALEN code and Ansys commercial analysis software is shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simple approximations for the asymptotic description of the interaction between a normal shock wave and a turbulent boundary layer at transonic speeds

The asymptotic description of the interaction between a normal shock wave and a turbulent boundary layer is reviewed. The layers necessary in a rational analysis of the interaction are discussed with emphasis on the differences from an interaction with a laminar boundary layer, the uncoupling of solutions for the distribution of pressure and skin friction at the wall, and the role of the Reynolds shear stress in these solutions. The accuracy of asymptotic solutions in flows at Reynolds numbers of technical interest is discussed. Solutions for the distribution of pressure and skin friction at the wall and the shape of the shock are considered for the case where the flow is near separation. For the pressure and skin friction, it is possible to write two simplified partial solutions, one valid at the beginning of the interaction and one valid somewhat downstream of the shock wave. A solution composed of these two parts and a linear interpolation between them appears to give good comparison with experiment; one unknown constant, independent of the parameters of the interaction, must be found from experiment. The simplified relations are presented. Comparison of numerical computations with experimental data indicates a possible value for the constant and shows quite satisfactory results.

Adamson, T. C., Jr.↗

Probing Intra-Halo Light with Galaxy Stacking in CIBER Images

We study the stellar halos of 0.2 ≲ $z$ ≲ 0.5 galaxies with stellar masses spanning $M$* ~ 10 10.5 to 10 12 $M$ ⊙ (approximately $L$* galaxies at this redshift) using imaging data from the Cosmic Infrared Background Experiment (CIBER). A previous CIBER fluctuation analysis suggested that intra-halo light (IHL) contributes a significant portion of the near-infrared extragalactic background light (EBL), the integrated emission from all sources throughout cosmic history. In this work, we carry out a stacking analysis with a sample of ~30,000 Sloan Digital Sky Survey (SDSS) photometric galaxies from CIBER images in two near-infrared bands (1.1 and 1.8 $μ$m) to directly probe the IHL associated with these galaxies. We stack galaxies in five sub-samples split by brightness and detect an extended galaxy profile beyond the instrument point-spread function (PSF) derived by stacking stars. We jointly fit a model for the inherent galaxy light profile plus large-scale one- and two-halo clustering to measure the extended galaxy IHL. We detect nonlinear one-halo clustering in the 1.8 $μ$m band at a level consistent with numerical simulations. Furthermore, by extrapolating the fraction of extended galaxy light, we measure to all galaxy mass scales, we find ~30%/15% of the total galaxy light budget from galaxies is at radius $r$ > 10/20 kpc, respectively. These results are new at near-infrared wavelengths at the $L$* mass scale and suggest that the IHL emission and one-halo clustering could have appreciable contributions to the amplitude of large-scale EBL background fluctuations.

79 ASTRONOMY AND ASTROPHYSICS↗

Space-Split Algorithm for Sensitivity Analysis of Discrete Chaotic Systems With Multidimensional Unstable Manifolds

Accurate approximations of the change of a system's output and its statistics with respect to the input are highly desired in computational dynamics. Ruelle's linear response theory provides breakthrough mathematical machinery for computing the linear response of chaotic dynamical systems. In this paper, we propose an algorithm for sensitivity analysis of discrete chaos with an arbitrary number of positive Lyapunov exponents. We combine the concept of perturbation space-splitting, which regularizes Ruelle's original expression, together with measure-based parameterization of the expanding subspace. We use these tools to rigorously derive trajectory-following recursive relations that converge exponentially fast, and construct a memory-efficient Monte Carlo scheme for derivatives of the output statistics. Thanks to the regularization and lack of simplifying assumptions on the system's behavior, our method is immune to the common problems of other popular methods such as the exploding tangent solutions and unphysical shadowing directions. Here, we provide a ready-to-use algorithm, analyze its complexity, and demonstrate several numerical examples of sensitivity computation using physically-inspired low-dimensional systems.

97 MATHEMATICS AND COMPUTING↗

Incorporation of a progressive failure analysis method in the CSM testbed software system

Analysis of the postbuckling behavior of composite shell structures pose many difficult and challenging problems in the field of structural mechanics. Current analysis methods perform well for most cases in predicting the postbuckling response of undamaged components. To predict component behavior accurately at higher load levels, the analysis must include the effects of local material failures. The CSM testbed software system is a highly modular structural analysis system currently under development at Langley Research Center. One of the primary goals of the CSM testbed is to provide a software environment for the development of advanced structural analysis methods and modern numerical methods which will exploit advanced computer architecture such as parallel-vector processors. Development of a progressive failure analysis method consists of the design and implementation of a processor which will perform the ply-level progressive failure analysis and the development of a geometrically nonlinear analysis procedure which incorporates the progressive failure processor. Regarding the development of the progressive failure processor, two components are required: failure criteria and a degradation model. For the initial implementation, the failure criteria of Hashin will be used. For a matrix failure which typically indicates the development of transverse matrix cracks, the ply properties will be degraded. Work to date includes the design of the progressive failure analysis processor and initial plans for the controlling geometrically nonlinear analysis procedure. The implementation of the progressive failure analysis has begun. Access to the model database and the Hashin failure criteria are completed. Work is in progress on the input/output operations for the processor related data and the finite element model updating procedures. In total the progressive failure processor is approximately one-third complete.

Arenburg, Robert T.↗

Effects of pressure gradients on turbulent premixed flames

The influence of a constant acceleration on a turbulent premixed flame is studied by direct numerical simulation. This acceleration induces a mean pressure gradient across the flame brush, leading to a modification of the turbulent flame structure due to differential buoyancy mechanisms between heavy cold fresh and light hot burnt gases. Such a pressure gradient may be encountered in practical applications in ducted flames. A favorable pressure gradient, i.e. the pressure decreases from unburnt to burnt gases, is found to decrease the flame wrinkling, the flame brush thickness, and the turbulent flame speed. A favorable pressure gradient also promotes counter-gradient turbulent transport. On the other hand, adverse pressure gradients tend to increase the flame brush thickness and turbulent flame speed, and promote classical gradient turbulent transport. The balance equation for the turbulent flux of the Favre averaged progress variable is also analyzed. The first results show that the fluctuating pressure term, cannot be neglected as generally assumed in models. Simple models assuming that a high mean pressure gradient may only be balanced by the cross-dissipation term seem too approximate. This analysis has to be continued to compare simulation data and closure schemes proposed for the transport equation. The analysis developed by Veynante et al.(1995) has been extended to imposed acceleration and mean pressure gradients. A simple model for the turbulent flux is proposed and validated from simulation data. Then, a modified criterion is derived to delineate between counter-gradient and gradient turbulent diffusion. In fact, counter-gradient diffusion may occur in most practical applications, especially for ducted flames.

Veynante, D.↗

A review on recent machine learning applications for imaging mass spectrometry studies

Imaging mass spectrometry (IMS) is a powerful analytical technique widely used in biology, chemistry, and materials science fields that continue to expand. IMS provides a qualitative compositional analysis and spatial mapping with high chemical specificity. The spatial mapping information can be 2D or 3D depending on the analysis technique employed. Due to the combination of complex mass spectra coupled with spatial information, large high-dimensional datasets (hyperspectral) are often produced. Therefore, the use of automated computational methods for an exploratory analysis is highly beneficial. The fast-paced development of artificial intelligence (AI) and machine learning (ML) tools has received significant attention in recent years. These tools, in principle, can enable the unification of data collection and analysis into a single pipeline to make sampling and analysis decisions on the go. There are various ML approaches that have been applied to IMS data over the last decade. Here, in this review, we discuss recent examples of the common unsupervised (principal component analysis, non-negative matrix factorization, k-means clustering, uniform manifold approximation and projection), supervised (random forest, logistic regression, XGboost, support vector machine), and other methods applied to various IMS datasets in the past five years. The information from this review will be useful for specialists from both IMS and ML fields since it summarizes current and representative studies of computational ML-based exploratory methods for IMS.

47 OTHER INSTRUMENTATION↗

Analysis of the Challenges in Developing Sample-Based Multi-fidelity Estimators for Non-deterministic Models

Multifidelity (MF) uncertainty quantification (UQ) seeks to leverage and fuse information from a collection of models to achieve greater statistical accuracy with respect to a single-fidelity counterpart, while maintaining an efficient use of computational resources. Despite many recent advancements in MF UQ, several challenges remain and these often limit its practical impact in certain application areas. In this manuscript, we focus on the challenges introduced by nondeterministic models to sampling MF UQ estimators. Nondeterministic models produce different responses for the same inputs, which means their outputs are effectively noisy. MF UQ is complicated by this noise since many state-of-the-art approaches rely on statistics, e.g., the correlation among models, to optimally fuse information and allocate computational resources. Here, we demonstrate how the statistics of the quantities of interest, which impact the design, effectiveness, and use of existing MF UQ techniques, change as functions of the noise. With this in hand, we extend the unifying approximate control variate framework to account for nondeterminism, providing for the first time a rigorous means of comparing the effect of nondeterminism on different multifidelity estimators and analyzing their performance with respect to one another. Numerical examples are presented throughout the manuscript to illustrate and discuss the consequences of the presented theoretical results.

97 MATHEMATICS AND COMPUTING↗

Noise Sources in a Low-Reynolds-Number Turbulent Jet at Mach 0.9

The mechanisms of sound generation in a Mach 0.9, Reynolds number 3600 turbulent jet are investigated by direct numerical simulation. Details of the numerical method are briefly outlined and results are validated against an experiment at the same flow conditions. Lighthill's theory is used to define a nominal acoustic source in the jet, and a numerical solution of Lighthill's equation is compared to the simulation to verify the computational procedures. The acoustic source is Fourier transformed in the axial coordinate and time and then filtered in order to identify and separate components capable of radiating to the far field. This procedure indicates that the peak radiating component of the source is coincident with neither the peak of the full unfiltered source nor that of the turbulent kinetic energy. The phase velocities of significant components range from approximately 5% to 50% of the ambient sound speed which calls into question the commonly made assumption that the noise sources convect at a single velocity. Space-time correlations demonstrate that the sources are not acoustically compact in the streamwise direction and that the portion of the source that radiates at angles greater than 45 deg. is stationary. Filtering non-radiating wavenumber components of the source at single frequencies reveals that a simple modulated wave forms for the source, as might be predicted by linear stability analysis. At small angles from the jet axis the noise from these modes is highly directional, better described by an exponential than a standard Doppler factor.

Freund, Jonathan B.↗

Ergodic Lagrangian dynamics in a superhero universe

We present a fictional scenario that, while undeniably whimsical, provides the foundation for a unique exercise in extended problem solving, physics analysis, and quantitative model development. Starting with the foundational premise of the Wild Cards shared-world superhero universe, we demonstrate how a variety of concepts appropriate to the advanced undergraduate level—ergodicity, functional analysis, Lagrangian mechanics, and the ever-important simplifying approximation—can be combined into a rich, coherent mathematical model. The goal of this case study is to develop a useful pedagogical exercise in exploring an open-ended research question that presents, at first glance, no clear path forward. Being both eclectic and lengthy, this exercise offers a unique way for students to apply their core physics and mathematics education. It is perhaps best used within a senior honors seminar or within a brief (e.g., January term) elective class.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A windowed mean trajectory approximation for condensed phase dynamics

We propose a trajectory-based quasi-classical method for approximating dynamics in condensed phase systems. Building upon the previously developed optimized mean trajectory approximation that has been used to compute linear and nonlinear spectra, we borrow some ideas from filtering trajectory methods to obtain a novel semiclassical method for the dynamical propagation of density matrices. This new approximation is tested rigorously against standard multistate electronic models, spin-boson models, and models of the Fenna–Matthews–Olson complex. For dissipative systems, the current method is significantly better or as good as many other semiclassical methods available, especially at low temperatures and for off-diagonal density matrix elements, whereas for scattering models, the current method bears similar limitations as mean-field propagation schemes. All results are tested against the numerically exact hierarchical equations of motion method. In conclusion, the new method shows excellent agreement across various parameter regimes with numerically exact results, highlighting the robustness and accuracy of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗