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NASA NTRS2002

A Parametric Study of Fine-scale Turbulence Mixing Noise

The present paper is a study of aerodynamic noise spectra from model functions that describe the source. The study is motivated by the need to improve the spectral shape of the MGBK jet noise prediction methodology at high frequency. The predicted spectral shape usually appears less broadband than measurements and faster decaying at high frequency. Theoretical representation of the source is based on Lilley's equation. Numerical simulations of high-speed subsonic jets as well as some recent turbulence measurements reveal a number of interesting statistical properties of turbulence correlation functions that may have a bearing on radiated noise. These studies indicate that an exponential spatial function may be a more appropriate representation of a two-point correlation compared to its Gaussian counterpart. The effect of source non-compactness on spectral shape is discussed. It is shown that source non-compactness could well be the differentiating factor between the Gaussian and exponential model functions. In particular, the fall-off of the noise spectra at high frequency is studied and it is shown that a non-compact source with an exponential model function results in a broader spectrum and better agreement with data. An alternate source model that represents the source as a covariance of the convective derivative of fine-scale turbulence kinetic energy is also examined.

Khavaran, Abbas↗

DOE OSTI2020

Direct astrophysical tests of chiral effective field theory at supranuclear densities

Recent observations of neutron stars with gravitational waves and X-ray timing provide unprecedented access to the equation of state (EoS) of cold dense matter at densities difficult to realize in terrestrial experiments. At the same time, predictions for the EoS equipped with reliable uncertainty estimates from chiral effective field theory ( x EFT) allow us to bound our theoretical ignorance. In this work, we analyze astrophysical data using a nonparametric representation of the neutron-star EoS conditioned on x EFT to directly constrain the underlying physical properties of the compact objects without introducing modeling systematics. We discuss how the data alone constrain the EoS at high densities when we condition on x EFT at low densities. Here, we also demonstrate how to exploit astrophysical data to directly test the predictions of x EFT for the EoS up to twice nuclear saturation density, in order to estimate the density at which these predictions might break down. We nd that the existence of massive pulsars, gravitational waves from GW170817, and NICER observations of PSR J0030+0451 favor x EFT predictions for the EoS up to nuclear saturation density over a more agnostic analysis by as much as a factor of 7 for the quantum Monte Carlo (QMC) calculations used in this work. While x EFT predictions using QMC are fully consistent with gravitational-wave data up to twice nuclear saturation density, NICER observations suggest that the EoS stiffens relative to these predictions at or slightly above nuclear saturation density. Additionally, for these QMC calculations, we marginalize over the uncertainty in the density at which x EFT begins to break down, constraining the radius of a 1.4M $\bigodot$ neutron star to R 1.4 = $11.40^{+1.38}_{–1.04}$ ($12.54^{+0.71}_{–0.63}$) km and the pressure at twice nuclear saturation density to p(2n sat ) = $14.2^{+18.1}_{–8.4}$ ($28.7^{+15.3}_{–15.0}$) MeV=fm 3 with massive pulsar and gravitational-wave (and NICER) data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2008

Superposition of Cohesive Elements to Account for R-Curve Toughening in the Fracture of Composites

The relationships between a resistance curve (R-curve), the corresponding fracture process zone length, the shape of the traction/displacement softening law, and the propagation of fracture are examined in the context of the through-the-thickness fracture of composite laminates. A procedure that accounts for R-curve toughening mechanisms by superposing bilinear cohesive elements is proposed. Simple equations are developed for determining the separation of the critical energy release rates and the strengths that define the independent contributions of each bilinear softening law in the superposition. It is shown that the R-curve measured with a Compact Tension specimen test can be reproduced by superposing two bilinear softening laws. It is also shown that an accurate representation of the R-curve is essential for predicting the initiation and propagation of fracture in composite laminates.

Davila, Carlos G.↗

NASA NTRSDate not supplied

Effect of Injection Dynamics on Wave Propagation in a Linear Detonation Combustor

Injector response to self-excited and sustained detonation wave propagation in an optically-accessible nonpremixed natural gas-oxygen linear detonation combustor is investigated. 100 kHz measurements of planar laser induced fluorescence (PLIF) of trace quantities of acetone injected into the fuel supply and simultaneous OH∗ chemiluminescence measurements were used to correlate the effect on injection dynamics on detonation wave structure and propagation. Measurements over a range of equivalence ratios (0.61-1.48) revealed wave propagation through regions of high fuel stratification in the axial and transverse direction of reactant injection. Consequently, the propagation of the detonation wave along the channel is through a flow-field with significant variation in fuel mass fraction, reactivity, and sound speeds. At lean conditions, wave propagation frequency is generally lower (∼6 kHz) resulting in longer time between wave passages for mixing and pre-heat resulting in steeper detonation wave-fronts anchored near the injector exit plane. Conversely, at rich equivalence ratios the wave frequency is higher (∼10 kHz) resulting in shorter intra-cycle period for reactant fill and mixing resulting waves lifted from the injection plane that are more compact. Higher chemiluminescence intensity in the post-wave region with deflagrative combustion is observed in these cases. Phase averaged representation of the acetone-PLIF measurements indicate that the fraction of time between wave passages available for reactant fill, mixing and pre-heat is consistent across all equivalence ratios.

Propulsion↗

NASA NTRSDate not supplied

Effect of Injection Dynamics on Detonation Wave Propagation in a Linear Detonation Combustor

Propulsion↗

DOE OSTI2023

Adaptive autoencoder latent space tuning for more robust machine learning beyond the training set for six-dimensional phase space diagnostics of a time-varying ultrafast electron-diffraction compact accelerator

In this work, we present a general adaptive latent space tuning approach for improving the robustness of machine learning tools with respect to time variation and distribution shift. We demonstrate our approach by developing an encoder-decoder convolutional neural network-based virtual 6D phase space diagnostic of charged particle beams in the HiRES ultrafast electron diffraction (UED) compact particle accelerator with uncertainty quantification. Our method utilizes model-independent adaptive feedback to tune a low dimensional 2D latent space representation of ~1 million dimensional objects which are the 15 unique 2D projections (x, y),...,(z, p z ) of the 6D phase space (x, y, z, p x , p y , p z ) of the charged particle beams. We demonstrate our method with numerical studies of short electron bunches utilizing experimentally measured UED input beam distributions.

43 PARTICLE ACCELERATORS↗

NASA NTRS1976

Singularity-free extraction of a quaternion from a direction-cosine matrix

A computer algorithm for extracting a quaternion from a direction-cosine matrix (DCM) is described. The quaternion provides a four-parameter representation of rotation, as against the nine-parameter representation afforded by a DCM. Commanded attitude in space shuttle steering is conveniently computed by DCM, while actual attitude is computed most compactly as a quaternion, as is attitude error. The unit length of the rotation quaternion, and interchangeable of a quaternion and its negative, are used to advantage in the extraction algorithm. Protection of the algorithm against square root failure and division overflow are considered. Necessary and sufficient conditions for handling the rotation vector element of largest magnitude are discussed

Klumpp, A. R.↗

NASA NTRS1992

Compact finite difference schemes with spectral-like resolution

The present finite-difference schemes for the evaluation of first-order, second-order, and higher-order derivatives yield improved representation of a range of scales and may be used on nonuniform meshes. Various boundary conditions may be invoked, and both accurate interpolation and spectral-like filtering can be accomplished by means of schemes for derivatives at mid-cell locations. This family of schemes reduces to the Pade schemes when the maximal formal accuracy constraint is imposed with a specific computational stencil. Attention is given to illustrative applications of these schemes in fluid dynamics.

Lele, Sanjiva K.↗

DOE OSTI2023

Advective gas flow in bentonite: Development and comparison of enhanced multi-phase numerical approaches

Understanding the impact of repository gas, generated from degradation of waste and its interaction with the host rock, is essential when assessing the performance and safety function of long-term disposal systems for radioactive waste. Numerical models based on conventional multi-phase flow theory have historically been applied to predict the outcome and impact of gas flow on different repository components. However, they remain unable to describe the full complexity of the physical processes observed in water-saturated experiments (e.g., creation of dilatant pathways) and thus, the development of novel representations for their description is required when assessing fully saturated clay-based systems. This was the primary focus of Task A within the international cooperative project DECOVALEX-2019 (D-2019) and refinement of these approaches is the primary focus of this study (Task B in the current phase of DECOVALEX-2023). This paper summarises development of enhanced numerical representations of key processes and compares the performance of each model against high-quality laboratory test data. Experimental data reveals that gas percolation in water-saturated compacted bentonite is characterised by four key features: (i) a quiescence phase, followed by (ii) the gas breakthrough, which leads to a (iii) peak value, which is then followed by (iv) a negative decay. Three models based on the multiphase flow theory have been developed. These models can provide good initial values and reasonable responses for gas breakthrough (although some of them still predict a too-smooth response). Peak gas pressure values are in general reasonably well captured, although maximum radial stress differences are observed at 48 mm from the base of the sample. Here, numerical peak values of 12.8 MPa are predicted, whereas experimental values are about 11 MPa. These models are also capable of providing a reasonable representation of the negative pressure decay following peak pressure. However, other key specific features (such as the timing of gas breakthrough) still require a better representation. The model simulations and their comparison with experimental data show that these models need to be further improved with respect to model parameter calibration, the numerical representation of spatial heterogeneities in material properties and flow localisation, and the upscaling of the related physical processes and parameters. To further understand gas flow localisation, a new conceptual model has been developed, which shows that discrete channels can possibly be induced through the instability of gas-bentonite interface during gas injection, thus providing a new perspective for modeling gas percolation in low-permeability deformable media.

58 GEOSCIENCES↗

NASA NTRS2001

Lidar Measurements of Wind, and Cloud & Aerosol Structures using HARLIE at the WVIOP, Sept/Oct 2000

The holographic scanning lidar HARLIE made continuous measurements of aerosol and cloud one-micron backscatter and derived the horizontal wind speed and direction at cloud height over the ARM (SGP) site during the water vapor campaign WVIOP, September 17 - October 6, 2000. Whenever possible, these measurements were compared with Loran-C winds as measured by the routine launches of Vaisala radiosonde balloons scheduled by the ARM project. Taken overall, the agreement between these two types of observation is excellent, which could be taken merely as a validation of the relatively new HARLIE technique. However, the detailed comparison for a given sonde launch clearly requires that, out of the HARLIE data which are taken all the time at all altitudes, one must select those segments that match the altitude-time trajectory of the sonde. Moreover, the conical HARLIE scan at a 45 deg. elevation angle covers a wide area that is more representative of the average wind conditions above the site than the isolated track of the sonde's ascent. We suggest that the HARLIE instrument offers a more general and improved representation of the horizontal wind profile whenever there is sufficient backscatter by clouds and aerosols for lidar operation. HARLIE is a rugged and compact lidar that operates from aircraft as well as from the ground and has been used in several meteorological campaigns. As a "direct detection" lidar, HARLIE does not require the complexity of a coherent detection system. The data reduction algorithms facilitate the rapid and accurate determination of wind speed and direction at all altitudes. Wind measurements and HARLIE performance data from WVIOP 2000 and other campaigns will be presented.

Schwemmer, Geary↗

NASA NTRS1978

Quaternion from rotation matrix

A quaternion is regarded as a four-parameter representation of a coordinate transformation matrix, where the four components of the quaternion are treated on an equal basis. This leads to a unified, compact, and singularity-free approach to determining the quaternion when the matrix is given.

Shepperd, S. W.↗

DOE OSTI2022

Generalized symmetries and Noether’s theorem in $\mathrm{QFT}$

We show that generalized symmetries cannot be charged under a continuous global symmetry having a Noether current. Further, only non-compact generalized symmetries can be charged under a continuous global symmetry. These results follow from a finer classification of twist operators, which naturally extends to finite group global symmetries. They unravel topological obstructions to the strong version of Noether’s theorem in QFT, even if under general conditions a global symmetry can be implemented locally by twist operators (weak version). We use these results to rederive Weinberg-Witten’s theorem within local QFT, generalizing it to massless particles in arbitrary dimensions and representations of the Lorentz group. Several examples with local twists but without Noether currents are described. We end up discussing the conditions for the strong version to hold, dynamical aspects of QFT’s with non-compact generalized symmetries, scale vs conformal invariance in QFT, connections with the Coleman-Mandula theorem and aspects of global symmetries in quantum gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Comments on the quantum field theory of the Coulomb gas formalism

The holomorphic Coulomb gas formalism, as developed by Feigin-Fuchs, Dotsenko-Fateev and Felder, is a set of rules for computing minimal model observables using free field techniques. We attempt to derive and clarify these rules using standard techniques of quantum field theory. We begin with a careful examination of the timelike linear dilaton. Although the background charge of the model breaks the scalar field’s continuous shift symmetry, the exponential of the action remains invariant under a discrete shift because the background charge is imaginary. Gauging this symmetry makes the dilaton compact and introduces winding modes into the spectrum. One of these winding operators corresponds to the anti-holomorphic completion of the BRST current first introduced by Felder, and the full left/right cohomology of this BRST charge isolates the irreducible representations of the Virasoro algebra within the degenerate Fock space of the linear dilaton. The “supertrace” in the BRST complex reproduces the minimal model partition function and exhibits delicate cancellations between states with both momentum and winding. The model at the radius $R=\sqrt{pp^{\prime }}$ has two marginal operators corresponding to the Dotsenko-Fateev “screening charges”. Deforming by them, we obtain a model that might be called a “BRST quotiented compact timelike Liouville theory”. The Hamiltonian of the zero-mode quantum mechanics of this model is not Hermitian, but it is PT -symmetric and exactly solvable. Its eigenfunctions have support on an infinite number of plane waves, suggesting an infinite reduction in the number of independent states in the full quantum field theory. Applying conformal perturbation theory to the exponential interactions reproduces the Coulomb gas calculations of minimal model correlation functions. In contrast to spacelike Liouville, these “resonance correlators” are finite because the zero mode is compact. We comment on subtleties regarding the reflection operator identification, as well as naive violations of truncation in correlators with multiple reflection operators inserted. This work is part of an attempt to understand the relationship between the JT model of two dimen- sional gravity and the worldsheet description of the (2 , p ) minimal string as suggested by Seiberg and Stanford.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Efficient Simulation of Open Quantum Systems on NISQ Trapped‐Ion Hardware

Abstract Simulating open quantum systems, which interact with external environments, presents significant challenges on noisy intermediate‐scale quantum (NISQ) devices due to limited qubit resources and noise. In this study, an efficient framework is proposed for simulating open quantum systems on NISQ hardware by leveraging a time‐perturbative Kraus operator representation of the system's dynamics. This approach avoids the computationally expensive Trotterization method and exploits the Lindblad master equation to represent time evolution in a compact form, particularly for systems satisfying specific commutation relations. The efficiency of this method is demonstrated by simulating quantum channels, such as the continuous‐time Pauli channel and damped harmonic oscillators, on NISQ trapped‐ion hardware, including IonQ Harmony and Quantinuum H1‐1. Additionally, hardware‐agnostic error mitigation techniques are introduced, including Pauli channel fitting and quantum depolarizing channel inversion, to enhance the fidelity of quantum simulations. These results show strong agreement between the simulations on real quantum hardware and exact solutions, highlighting the potential of Kraus‐based methods for scalable and accurate simulation of open quantum systems on NISQ devices. This framework opens pathways for simulating more complex systems under realistic conditions in the near term.

Burdine, Colin [Department of Electrical and Compu↗

DOE OSTI2022

End-to-end jet classification of boosted top quarks with the CMS open data

Here we describe a novel application of the end-to-end deep learning technique to the task of discriminating top quark-initiated jets from those originating from the hadronization of a light quark or a gluon. The end-to-end deep learning technique uses low-level detector representation of high-energy collision event as inputs to deep learning algorithms. In this study, we use low-level detector information from the simulated Compact Muon Solenoid (CMS) open data samples to construct the top jet classifiers. To optimize classifier performance we progressively add low-level information from the CMS tracking detector, including pixel detector reconstructed hits and impact parameters, and demonstrate the value of additional tracking information even when no new spatial structures are added. Relying only on calorimeter energy deposits and reconstructed pixel detector hits, the end-to-end classifier achieves an area under the receiver operator curve (AUC) score of 0.975 ± 0.002 for the task of classifying boosted top quark jets. After adding derived track quantities, the classifier AUC score increases to 0.9824 ± 0.0013, serving as the first performance benchmark for these CMS open data samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Finite-Difference Simulation for Infrasound Generated by Finite-Extent Ground Motions

Underground explosions can produce infrasound in the atmosphere, and the wavefield characteristics are often governed by the ground surface motions. Finite-difference methods are popular for infrasound simulation as their generality and robustness allow for complex atmospheric structures and surface topography. A simple point-source approximation is often used because infrasound wavelengths tend to be large relative to the source dimensions. However, this assumption may not be able to capture the complexity of explosion-induced ground motions if the surface area is not compact, and appropriate source models must be incorporated into the finite-difference simulations for accurate infrasound prediction. In this study, we develop a point source representation of the complex ground motions for infrasound sources. Instead of a single point source, we use a series of point sources distributed over the source area. These distributed point sources can be equivalent to air volume changes produced by the ground motions in the atmosphere. Further, we apply the distributed point-source method to a series of buried chemical explosions conducted during the Source Physics Experiment Phase I. Epicentral ground-motion measurements during the experiments provide a way to calculate accurate distributed point sources. We validate and evaluate the accuracy of distributed point source approach for infrasound simulations by direct comparison with acoustic observations in the field experiment.

58 GEOSCIENCES↗

DOE OSTI2023

HT Model Dataset

This website contains the dataset that was used for writing the manuscript "HT Model: Using the Molecular Transformer for predicting hydrotreating reactions" (PNNL-SA-186589) The dataset includes a collection of hydrotreating reactions compiled from 41 peer-reviewed literature sources. These sources contain experimental data related to hydrotreating reactions. These reactions involve the reaction of chemical compounds with hydrogen gas in the presence of a catalyst to remove heteroatoms or to convert specific functional groups. The dataset contains reactions both with and without reaction conditions. Reaction conditions refer to the specific parameters under which the reaction takes place, such as temperature and pressure. For each reaction, the dataset includes both SMILES and SELFIES representations. SMILES (Simplified Molecular Input Line Entry System) and SELFIES (SELF-referencIng Embedded Strings) are two popular notations used to represent chemical structures in a compact and standardized format. The dataset was created with the aim of training a predictive model, specifically using the Molecular Transformer architecture.

bioprocessing, hydrotreating, deep learning algori↗

NASA NTRS2005

Geographic Distribution of QCDs Around the Northern Plains Basins of Mars and the Relationship to Lowland Materials

It has been suggested that quasicircular depressions (QCDs) without a structural representation in Viking and MOC visible imagery represent buried impact craters [1,2,3,4]. Topographic depressions will form over impact craters buried by a differentially compacting cover material because total cover thickness, and thus total compaction, is greater over the center of completely buried impact craters than their rims [5]. If this is the process by which QCDs form, then only areas of differentially compacting materials should have QCDs. Previous work has established that there is a relationship of surface relief to diameter for QCDs around the Utopia Basin [6]. The slope of the trend of this relationship varies depending on cover thickness, becoming steeper with decreasing thickness [7]. Comparing trendslopes of QCDs around different lowland basins might give us insight into the relative thickness of the cover material in these areas. We explore the geographic distribution of QCDs around the Utopia, Isidis and Acidalia basins and compare their location to geologic units and materials. We also compare evidence for relative thickness of cover material at the three basins.

Buczkowski, D. L.↗