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DOE OSTI2022

A cautionary tale of decorrelating theory uncertainties

A variety of techniques have been proposed to train machine learning classifiers that are independent of a given feature. While this can be an essential technique for enabling background estimation, it may also be useful for reducing uncertainties. We carefully examine theory uncertainties, which typically do not have a statistical origin. We will provide explicit examples of two-point (fragmentation modeling) and continuous (higher-order corrections) uncertainties where decorrelating significantly reduces the apparent uncertainty while the true uncertainty is much larger. These results suggest that caution should be taken when using decorrelation for these types of uncertainties as long as we do not have a complete decomposition into statistically meaningful components.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1994

Research in astrophysical processes

Work completed under this grant is summarized in the following areas:(1) radio pulsar turn on and evaporation of companions in very low mass x-ray binaries and in binary radio pulsar systems; (2) effects of magnetospheric pair production on the radiation from gamma-ray pulsars; (3) radiation transfer in the atmosphere of an illuminated companion star; (4) evaporation of millisecond pulsar companions;(5) formation of planets around pulsars; (6) gamma-ray bursts; (7) quasi-periodic oscillations in low mass x-ray binaries; (8) origin of high mass x-ray binaries, runaway OB stars, and the lower mass cutoff for core collapse supernovae; (9) dynamics of planetary atmospheres; (10) two point closure modeling of stationary, forced turbulence; (11) models for the general circulation of Saturn; and (12) compressible convection in stellar interiors.

Ruderman, Malvin A.↗

DOE OSTI2021

Numerical Modelling of a Two-Body Point Absorber Featuring Variable Geometry

This work presents a novel wave energy converter (WEC) device concept that incorporates variable geometry modules into a two-body point absorber type WEC. The variable geometry modules consist of air inflatable bags in the surface float and a water inflatable ring in the reaction body. The variable geometry floats are able to provide greater control over the device hydrodynamics; they can be inflated or deflated to emphasize either power absorption or load shedding. The device geometry is controlled in a quasi-static fashion, while the power take-off (PTO) unit is controlled on a wave-to-wave timescale. The surface float is tethered directly to the submerged reaction body through PTO tether lines. A linear time-domain analysis, conducted using open-source Wave Energy Converter (WEC-Sim) software, was used to estimate the absorbed power of the WEC in sea states defined by the Wave Energy Prize. WEC power performance was weighted against the expected capital cost of building the load bearing structure of the device, providing an estimated ACE value. The inclusion of the variable geometry modules was shown to be effective in altering the device geometry to improve power capture with a near proportional increase in expected costs, providing a nearly constant power-to-cost ratio.

cost of energy↗

NASA NTRS1934

Complete tank tests of two flying-boat hulls with pointed steps - N.A.C.A. Models 22-A and 35

This note presents the results of complete tank test of N.A.C.A. Models 22-A and 35, two flying-boat hulls of the deep pointed-step type with low dead rise. Model 22-A is a form derived by modification of Model 22, the test results of which are given in N.A.C.A. Technical Note No. 488. Model 35 is a form of the same type but has a higher length-beam ratio than either Model 22 or 22-A. Take-off examples are worked out using data from these tests and a previous test of a conventional model applied to an arbitrary set of design specifications for a 15,000-pound flying boat. The comparison of these examples shows both pointed-step models to be superior to the conventional form, and Model 35 to be the better of the two. Model 35 is applied to a hypothetical 100,000-pound flying boat of the twin-hull type and performance calculations are made both for take-off and range. The results indicate that the high performance of this type of hull will enable the designer to use higher wing and power loadings than are found in current practice, with a resulting increase in range and pay load.

Shoemaker, James M↗

DOE OSTI2021

Twisted bilayer graphene. I. Matrix elements, approximations, perturbation theory, and a k · p two-band model

We investigate the twisted bilayer graphene (TBG) model of Bistritzer and MacDonald (BM) [Bistritzer and MacDonald, Proc. Natl. Acad. Sci. 108, 12233 (2011)] to obtain an analytic understanding of its energetics and wave functions needed for many-body calculations. We provide an approximation scheme for the wave functions of the BM model, which first elucidates why the BM K M -point centered original calculation containing only four plane waves provides a good analytical value for the first magic angle (θ M ≈ 1°). The approximation scheme also elucidates why most of the many-body matrix elements in the Coulomb Hamiltonian projected to the active bands can be neglected. By applying our approximation scheme at the first magic angle to a Γ M -point centered model of six plane waves, we analytically understand the reason for the small Γ M -point gap between the active and passive bands in the isotropic limit w 0 = w 1 . Furthermore, we analytically calculate the group velocities of the passive bands in the isotropic limit, and show that they are almost doubly degenerate, even away from the Γ M point, where no symmetry forces them to be. Furthermore, moving away from the Γ M and K M points, we provide an explicit analytical perturbative understanding as to why the TBG bands are flat at the first magic angle, despite the first magic angle is defined by only requiring a vanishing K M -point Dirac velocity. We derive analytically a connected “magic manifold” w 1 = $2\sqrt{1 + w^{2}_{0}}$ $-\sqrt{2 + 3w^2_0}$, on which the bands remain extremely flat as w 0 is tuned between the isotropic (w 0 = w 1 ) and chiral (w 0 = 0) limits. We analytically show why going away from the isotropic limit by making w 0 less (but not larger) than w 1 increases the Γ M -point gap between the active and the passive bands. Finally, by perturbation theory, we provide an analytic Γ M point k ∙ p two-band model that reproduces the TBG band structure and eigenstates within a certain w 0 , w 1 parameter range. Further refinement of this model are discussed, which suggest a possible faithful representation of the TBG bands by a two-band Γ M point k ∙ p model in the full w 0 , w 1 parameter range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Methods to Evaluate Subcolumn Profiles Based on Two-Point Diagnostics

In atmospheric models, stochastic generation of subgrid-scale profiles or “subcolumns” has been used for a variety of purposes. Such subcolumns can be generated from subgrid probability density functions (PDFs) at different vertical levels, when such PDFs are available. To do so, the generator needs to decide how strongly points should be correlated in the vertical, that is, how much the values should be overlapped. This is sometimes called “PDF overlap.” To assess vertical correlation in a simplified, observable setting, here the vertical correlation of vertical velocity in subcloud layers is examined. Doppler lidar is used to evaluate the vertical profiles of vertical velocity produced by a large-eddy simulation (LES) model and the Subgrid Importance Latin Hypercube Sampler (SILHS) subcolumn generator. In order to diagnose unrealistic features in subcolumn profiles, various statistical diagnostics are examined here, including the bivariate PDF of vertical velocity at two separated points (i.e., altitudes), the two-point velocity correlation, the integral correlation length, the PDF of two-point velocity differences, and the skewness and kurtosis of two-point velocity differences. The profiles produced by LES match lidar well, except that they are too smooth at small scales. The profiles produced by SILHS exhibit sharp jumps from updraft to downdraft that are not observed in the lidar data. To reduce the generation of these unrealistically sharp jumps, the SILHS sampling method is revised. The diagnostics confirm that the revised sampling method reduces the overprediction of sharp jumps.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1987

Studies of the configuration of the Venus ionospheric magnetic field

The dayside ionospheric magnetic field of Venus has been modeled from two different points of view. The Cloutier et al. electrodynamic model makes specific predictions about the behavior of the global magnetic field configuration that can be compared with those expected from the alternate diffusion/convection model. Although the diffusion/convection model is currently only one-dimensional, it is found that it is consistent with the observations in several areas where the three-dimensional electrodynamic model is not.

Luhmann, J. G.↗

DOE OSTI2023

First principles simulation of reacting hypersonic flow over a blunt wedge

This article presents molecular-level analysis of a reactive, near-continuum, Mach 21 nitrogen flow over a blunt wedge using the direct molecular simulation (DMS) method. The flow conditions lead to internal energy excitation and dissociation in the flow field, resulting in thermal and chemical nonequilibrium in the flow. Thermal nonequilibrium in the vibrational mode is observed to extend to the molecular level, where the vibrational energy distributions at various points in the flow field are observed to be non-Boltzmann. Furthermore, this is the first reactive DMS calculation where the wall is assumed to be isothermal and full momentum accommodation of the particles is enforced, hence incorporating viscous wall effects. Since the DMS method uses a quantum mechanically generated interaction potential as its only modeling input, all thermochemical and transport properties of the flow field can directly be attributed to the ab initio potential energy surface. Using the DMS solution as a benchmark, this article assesses the performance of Navier–Stokes computational fluid dynamics solutions using lower fidelity two-temperature models. Two models are chosen as points of comparison: the well-known Park two-temperature model and the recently developed modified Marrone and Treanor model.

Mechanics↗

NASA NTRS1987

Modeling of turbulent transport as a volume process

An alternative type of modeling was proposed for the turbulent transport terms in Reynolds-averaged equations. One particular implementation of the model was considered, based on the two-point velocity correlations. The model was found to reproduce the trends but not the magnitude of the nonisotropic behavior of the turbulent transport. Some interesting insights were developed concerning the shape of the contracted two-point correlation volume. This volume is strongly deformed by mean shear from the spherical shape found in unstrained flows. Of particular interest is the finding that the shape is sharply waisted, indicating preferential lines of communication, which should have a direct effect on turbulent transfer and on other processes.

Jennings, Mark J.↗

DOE OSTI2022

The local wavenumber model for computation of turbulent mixing

We present an overview of the current status in the development of a two-point spectral closure model for turbulent flows, known as the local wavenumber (LWN) model. The model is envisioned as a practical option for applications requiring multi-physics simulations in which statistical hydrodynamics quantities such as Reynolds stresses, turbulent kinetic energy, and measures of mixing such as density-correlations and mix-width evolution, need to be captured with relatively high fidelity. In this review, we present the capabilities of the LWN model since it was first formulated in the early 1990s, for computations of increasing levels of complexity ranging from homogeneous isotropic turbulence, inhomogeneous and anisotropic single-fluid turbulence, to two-species mixing driven by buoyancy forces. The review concludes with a discussion of some of the more theoretical considerations that remain in the development of this model.

42 ENGINEERING↗

DOE OSTI2021

Dark Energy Survey Year 1 Results: Cosmological Constraints from Cluster Abundances, Weak Lensing, and Galaxy Correlations

We present the first joint analysis of cluster abundances and auto or cross-correlations of three cosmic tracer fields: galaxy density, weak gravitational lensing shear, and cluster density split by optical richness. From a joint analysis (4×2pt+N) of cluster abundances, three cluster cross-correlations, and the auto correlations of the galaxy density measured from the first year data of the Dark Energy Survey, we obtain Ωm=0.305-0.038+0.055 and σ8=0.783-0.054+0.064. This result is consistent with constraints from the DES-Y1 galaxy clustering and weak lensing two-point correlation functions for the flat νΛCDM model. Consequently, we combine cluster abundances and all two-point correlations from across all three cosmic tracer fields (6×2pt+N) and find improved constraints on cosmological parameters as well as on the cluster observable-mass scaling relation. This analysis is an important advance in both optical cluster cosmology and multiprobe analyses of upcoming wide imaging surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Calculating n-point charge correlations in evolving systems

Background: In dynamic systems such as heavy-ion collisions, charge susceptibilities and local charge correlations change with time. These changes are accompanied by nonlocal correlations, which spread diffusively with time and are constrained by local charge conservation. Such correlations have been measured at the Relativistic Heavy-Ion Collider (RHIC) and have been linked to the chemical evolution of the matter and possible phase separation or critical phenomena. The evolution of such correlations has been modeled for two-point correlators superimposed onto hydrodynamics, but not for three- or four-point correlators. These higher-order correlators represent an essential basis for calculating the kurtosis and skewness of charge distributions measured at RHIC. For short-range correlations, such as those between charges on the same particle, and the associated charge-balance correlations a theoretical formalism was lacking for handling higher-order correlations. In particular, one needed to understand how higher-order charge fluctuations was split onto lower numbers of particles. For example, correlations of order three have contributions with charge all on one particle, split onto two particle, or split onto three. By assuming local chemical equilibrium of short-range correlations, the sources of the various correlators were found to be uniquely determined. The relevant theoretical foundation is presented here, including a diagrammatic technique to correctly account for all the possible terms to higher-order correlations. Here, we found a consistent theoretical treatment and its applicability, viability, and tractability are discussed. The formalism derived here enables realistic and quantitative modeling of the three- and four-point charge correlations necessary for understanding measurements of the kurtosis and skewness of charge distributions at RHIC. These observables have been promoted as signals of phase transitions or measures of chemical evolution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1974

Parameter estimation for terrain modeling from gradient data

A method is developed for modeling terrain surfaces for use on an unmanned Martian roving vehicle. The modeling procedure employs a two-step process which uses gradient as well as height data in order to improve the accuracy of the model's gradient. Least square approximation is used in order to stochastically determine the parameters which describe the modeled surface. A complete error analysis of the modeling procedure is included which determines the effect of instrumental measurement errors on the model's accuracy. Computer simulation is used as a means of testing the entire modeling process which includes the acquisition of data points, the two-step modeling process and the error analysis. Finally, to illustrate the procedure, a numerical example is included.

Dangelo, K. R.↗

DOE OSTI2022

Modeled Hourly Tidal Current Velocities, Directions, and Heights from May 1 - September 1, 2005 at Two Points Near East Forelands and Tyonek in Cook Inlet, Alaska

This dataset includes modeled tidal current velocities, direction and depth at two locations in East and North Forelands (60.716, -151.434 and 61.024, -151.157) near Nikiski and Tyonek, respectively, in Cook Inlet, Alaska. Data from two grid cells were provided by the Pacific Northwest National Laboratory based on a tidal hydrodynamic model that characterized the tidal stream resources in Cook Inlet for a period from May 1 to September 1, 2005 (Wang and Yang 2020). The model grid size had a horizontal spatial resolution of 100 m at East Forelands and 200 m at Tyonek; mean sea level (MSL) depth was 47.9 m and 23.7 m at each respective site, and there were 10 depth bins that ranged in size with the tide from 4.3-5.2 m and 1.9-2.8 m, respectively (Wang and Yang 2020).

16 TIDAL AND WAVE POWER↗

NASA NTRS2000

Influence of Mean-Density Gradient on Small-Scale Turbulence Noise

A physics-based methodology is described to predict jet-mixing noise due to small-scale turbulence. Both self- and shear-noise source teens of Lilley's equation are modeled and the far-field aerodynamic noise is expressed as an integral over the jet volume of the source multiplied by an appropriate Green's function which accounts for source convection and mean-flow refraction. Our primary interest here is to include transverse gradients of the mean density in the source modeling. It is shown that, in addition to the usual quadrupole type sources which scale to the fourth-power of the acoustic wave number, additional dipole and monopole sources are present that scale to lower powers of wave number. Various two-point correlations are modeled and an approximate solution to noise spectra due to multipole sources of various orders is developed. Mean flow and turbulence information is provided through RANS-k(epsilon) solution. Numerical results are presented for a subsonic jet at a range of temperatures and Mach numbers. Predictions indicated a decrease in high frequency noise with added heat, while changes in the low frequency noise depend on jet velocity and observer angle.

Khavaran, Abbas↗

DOE OSTI2020

Density Functional Theory Study of the Initial Stages of Cl-Induced Degradation of α -Cr 2 O 3 Passive Film

The ion exchange and point defect models are two prominent models describing the role of anions, such as chlorides, in the degradation of passive oxide films. Here the thermodynamic feasibility of critical steps of Cl-induced degradation of a hydroxylated α-Cr 2 O 3 (0001) surface, as proposed by these two models, are studied. Both models begin with Cl substitution of surface OH and H 2 O, which becomes less favorable with increasing Cl coverage. The initial stages of Cl-induced breakdown of the α-Cr 2 O 3 depend on Cl coverage and the presence of O vacancy near the surface as follows: (1) neither Cl insertion (supporting the ion exchange model) nor Cr vacancy formation (supporting the point defect model) is feasible at low Cl coverages except in the presence of O vacancies near the surface, where Cl insertion is thermodynamically feasible even at low coverages, (2) in the absence of O vacancies, Cr vacancy formation becomes feasible from 10/12 ML onwards whereas Cl insertion by exchange with subsurface OH only becomes feasible at full coverage. This implies that at higher coverages Cl-induced degradation first initiates through a vacancy formation mechanism, but both insertion and vacancy formation would be feasible at full coverage.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Relations between two-point correlations and pressure strain terms

The structure of the two-point spatial correlations (velocity-velocity, velocity-scalar, and scalar-scalar) were studied with a view to improve turbulence closure models. The linear model for the two-point correlations proposed by Naot provides a method of including the information about the turbulence structure in the turbulence models. The assumptions and adequacy of this model were tested against the homogeneous shear flow simulation data base. The model performs poorly in some details and it is suggested how it may be improved. The models were also tested for rapid pressure-strain terms in a variety of flows including axisymmetric expansion and contraction flows, homogeneous shear flow, channel flow, and boundary layer.

Wolfshtein, Micha↗

NASA NTRS2012

Prediction of Broadband Shock-Associated Noise Including Propagation Effects Originating NASA

An acoustic analogy is developed based on the Euler equations for broadband shock-associated noise (BBSAN) that directly incorporates the vector Green s function of the linearized Euler equations and a steady Reynolds-Averaged Navier-Stokes solution (SRANS) to describe the mean flow. The vector Green s function allows the BBSAN propagation through the jet shear layer to be determined. The large-scale coherent turbulence is modeled by two-point second order velocity cross-correlations. Turbulent length and time scales are related to the turbulent kinetic energy and dissipation rate. An adjoint vector Green s function solver is implemented to determine the vector Green s function based on a locally parallel mean flow at different streamwise locations. The newly developed acoustic analogy can be simplified to one that uses the Green s function associated with the Helmholtz equation, which is consistent with a previous formulation by the authors. A large number of predictions are generated using three different nozzles over a wide range of fully-expanded jet Mach numbers and jet stagnation temperatures. These predictions are compared with experimental data from multiple jet noise experimental facilities. In addition, two models for the so-called fine-scale mixing noise are included in the comparisons. Improved BBSAN predictions are obtained relative to other models that do not include propagation effects.

Miller, Steven↗