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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Do You See What I See? Exploring the Consequences of Luminosity Limits in Black Hole–Galaxy Evolution Studies

In studies of the connection between active galactic nuclei (AGNs) and their host galaxies, there is widespread disagreement on some key aspects of the connection. These disagreements largely stem from a lack of understanding of the nature of the full underlying AGN population. Recent attempts to probe this connection utilize both observations and simulations to correct for a missed population, but presently are limited by intrinsic biases and complicated models. We take a simple simulation for galaxy evolution and add a new prescription for AGN activity to connect galaxy growth to dark matter halo properties and AGN activity to star formation. We explicitly model selection effects to produce an “observed” AGN population for comparison with observations and empirically motivated models of the local universe. This allows us to bypass the difficulties inherent in models that attempt to infer the AGN population by inverting selection effects. We investigate the impact of selecting AGNs based on thresholds in luminosity or Eddington ratio on the “observed” AGN population. By limiting our model AGN sample in luminosity, we are able to recreate the observed local AGN luminosity function and specific star formation-stellar mass distribution, and show that using an Eddington ratio threshold introduces less bias into the sample by selecting the full range of growing black holes, despite the challenge of selecting low-mass black holes. We find that selecting AGNs using these various thresholds yield samples with different AGN host galaxy properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Multiscale Reactive Model for 1,3,5-Triamino-2,4,6-trinitrobenzene Inferred by Reactive MD Simulations and Unsupervised Learning

When high-energy-density materials are subjected to thermal or mechanical insults at extreme conditions (shock loading), a coupled response between the thermo-mechanical and chemical behaviors is systematically induced. Herein we develop a reaction model for the fast chemistry of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) at the mesoscopic scale, where the chemical behavior is determined by underlying microscopic reactive simulations. The slow carbon cluster formation is not discussed in the present work. All-atom reactive molecular dynamics (MD) simulations are performed with the ReaxFF potential, and a reduced-order chemical kinetics model for TATB is fitted to isothermal and adiabatic simulations of single crystal chemical decomposition. Unsupervised machine learning techniques based on non-negative matrix factorization are applied to MD trajectories to model the decomposition kinetics of TATB in terms of a four-component model. The associated heats of reaction are fit to the temperature evolution from adiabatic decomposition trajectories. Using a chemical species analysis, we show that non-negative matrix factorization captures the main chemical decomposition steps of TATB and provides an accurate estimation of their evolution with temperature. The final analytical formulation, coupled to a diffusion term, is incorporated into a continuum formalism, and simulation results are compared one-to-one against MD simulations of 1D reaction propagation along different crystallographic directions and with different initial temperatures. A good agreement is found for both the temporal and spatial evolution of the temperature field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

PyApprox: A software package for sensitivity analysis, Bayesian inference, optimal experimental design, and multi-fidelity uncertainty quantification and surrogate modeling

PyApprox is a Python-based one-stop-shop for probabilistic analysis of numerical models such as those used in the earth, environmental and engineering sciences. Easy to use and extendable tools are provided for constructing surrogates, sensitivity analysis, Bayesian inference, experimental design, and forward uncertainty quantification. The algorithms implemented represent a wide range of methods for model analysis developed over the past two decades, including recent advances in multi-fidelity approaches that use multiple model discretizations and/or simplified physics to significantly reduce the computational cost of various types of analyses. An extensive set of Benchmarks from the literature is also provided to facilitate the easy comparison of new or existing algorithms for a wide range of model analyses. Here, this paper introduces PyApprox and its various features, and presents results demonstrating the utility of PyApprox on a benchmark problem modeling the advection of a tracer in groundwater.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

MODELING BRIGHT γ-RAY AND RADIO EMISSION AT FAST CLOUD SHOCKS

Recent observations by the Large Area Telescope on board the Fermi satellite have revealed bright γ-ray emission from middle-aged supernova remnants (SNRs) inside our Galaxy. These remnants, which also possess bright non-thermal radio shells, are often found to be interacting directly with surrounding gas clouds. We explore the non-thermal emission mechanism at these dynamically evolved SNRs by constructing a hydrodynamical model. Two scenarios of particle acceleration, either a re-acceleration of Galactic cosmic rays or an efficient nonlinear diffusive shock acceleration (NLDSA) of particles injected from downstream, are considered. Using parameters inferred from observations, our models are contrasted with the observed spectra of SNR W44. For the re-acceleration case, we predict a significant enhancement of radio and GeV emission as the SNR undergoes a transition into the radiative phase. If sufficiently strong magnetic turbulence is present in the molecular cloud, the re-acceleration scenario can explain the observed broadband spectral properties. The NLDSA scenario also succeeds in explaining the γ-ray spectrum but fails to reproduce the radio spectral index. Efficient NLDSA also results in a significant post-shock non-thermal pressure that limits the compression during cooling and prevents the formation of a prominent dense shell. Some other interesting differences between the two models in hydrodynamical behavior and resulting spectral features are illustrated.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1987

Experiments on a repetitively pulsed electrothermal thruster

This paper presents experimental results from an investigation of a pulsed electrothermal (PET) thruster using water propellant. The PET thruster is operated on a calibrated thrust stand, and produces a thrust to power ratio of T/P = 0.07 + or - 0.01 N/kW. The discharge conditions are inferred from a numerical model which predicts pressure and temperature levels of 300-500 atm and 20,000 K, respectively. These values in turn correctly predict the measured values of impulse bit and discharge resistance. The inferred ideal exhaust velocity from these conditions is 17 km/sec, but the injection of water propellant produces a test tank background pressure of 10-20 Torr, which reduces the exhaust velocity to 14 km/sec. This value corresponds to a thrust efficiency of 54 + or - 7 percent when all experimental errors are taken into account.

Burton, R. L.↗
DOE OSTI2022

Fusion RF Modeling Machine Learning (FusionML_RF) v1.0

FusionML_RF consists of multiple codes and trained machine learning (ML) models that perform low-cost output modeling from the Genray-CQL3D. Three machine learning techniques (multilayer perceptron, random forest, and Gaussian process) provide fast surrogate models for lower hybrid current drive (LHCD) simulations. For example, completing a single GENRAY/CQL3D simulation without radial diffusion of fast electrons requires several minutes of wall-clock time. On the other hand, these ML models achieve ~ms of inference time with high accuracy across the input parameter space. This software collection consists of multiple components. (1) codes that use ML methods and precomputed Genray-CQL3D simulation output to build regression models that enable approximate computations of Genray-CLQ3D outputs from arbitrary but physically meaningful input parameters (surrogate modeling); (2) three trained models created by the team, using a database of 16,000+ GENRAY/CQL3D simulations, to study the performance of ML models for surrogate modeling; (3) codes that load the trained models and simulation data, and then compute mean squared error between the models' predictions and the ground truth of simulation output data. This collection is being made available in conjunction with a scientific publication about the work to promote reusability and provide an artifact of the scientific work.

Bai, Zhe↗
NASA NTRS1973

Inference of total ozone from photometric measurements of sky radiation.

Ground-based photometric measurements of spectral sky radiation have been made using a simple filter instrument. Sky radiation intensities measured in the solar vertical at 3200 and 3600 A are compared to infer total ozone. A model of a multiple scattering Rayleigh atmosphere serves as a primary reduction parameter. Spectral measurements of all-sky radiance distribution are used to study the effects of haze and clouds on the inference of total ozone. The brightness distribution of clear and overcast sky in ultraviolet is also described.

Ghazi, A.↗
DOE OSTI2024

A parametric model for self-interacting dark matter halos

Abstract We propose a parametric model for studying self-interacting dark matter (SIDM) halos. The model uses an analytical density profile, calibrated using a controlled N-body SIDM simulation that covers the entire gravothermal evolution, including core-forming and -collapsing phases. By normalizing the calibrated density profile, we obtain a universal description for SIDM halos at any evolution phase. The model allows us to infer properties of SIDM halos based on their cold dark matter (CDM) counterparts. As a basic application, we only require two characteristic parameters of an isolated CDM halo atz = 0. We then extend the model to incorporate effects induced by halo mass changes, such as major mergers or tidal stripping, making it applicable to both isolated halos and subhalos. The parametric model is tested and validated using cosmological zoom-in SIDM simulations available in the literature.

Astronomy & Astrophysics↗
NASA NTRSDate not supplied

Quantum-Assisted Variational Segmentation for Image-to-Image Wildfire Detection Using Satellite Data

The quantum computing community has been searching for suitable applications to demonstrate the potential of near-term quantum devices. Quantum machine learning is a potential candidate, particularly using models that cannot be efficiently simulated with classical computers [1, 2]. This work focuses on a transition phase of quantum computers where the quantum machine learning model is still simulable classically but projected not to be simulable as the size of the model grows. Ultimately quantum computers may have advantages for high-dimensional real-world problems. Due to the limited number of qubits in current noisy intermediate-scale quantum (NISQ) devices, the direct application of quantum computers in high dimensional data is not feasible. To remedy this problem, an encoder-decoder architecture can be utilized. The encoder model would transform the high-dimensional data into a compact representation, to a level that small quantum computers can be used today (or in the near future), and the decoder would take the quantum processed outputs back to the high-dimensional space. Addressing the two challenges of quantum machine learning, this work investigates a hybrid supervised generative model with a quantum Ising Born machine embedded as the latent distribution. The model contains four main parts (Figure 1.a.): (1) a U-NET architecture responsible for learning segmentation flow, (2) a Prior network responsible for learning an encoded latent distribution of the input data, (3) a Born machine which represents the latent distribution, and (4) a Posterior network in charge of learning the joint encoded latent distribution of inputs and target data. The initial model, proposed by [3], is optimized by (1) maximizing the overlap of the prior and posterior latent distributions, and (2) minimizing the segmentation loss. The proposed model is designed to be investigated in a simulation environment applied to the real-world application of wildfire segmentation. Specifically, the model is designed to solve the patchy wildfire segmentations of Moderate Resolution Imaging Spectroradiometer (MODIS) by taking the MODIS observations and using Visible Infrared Imaging Radiometer Suite’s (VIIRS) consistent wildfire product as the target. The model solves patchy wildfire segmentations and provides insight into the epistemic errors sourced from model variation. The model utilizes the Born machine as a QUBO solver to represent the latent space as a Bernoulli distribution. The proposed configuration allows the variational segmentation model to leverage the true quantum probabilistic nature and derive a more expressive latent configuration, increasing the model performance in describing wildfire segmentations. The quantum probabilistic information of the Born machine is directly incorporated in the Kullback-Leibler divergence loss in the prior and posterior distributions, forcing the Bernoulli latent distribution to maximize the overlap of input and joint input-target distributions. The proposed model is then trained and compared with a baseline only consisting of direct Bernoulli latent distribution with no Born machine representing the latent space. The models are evaluated based on the segmentation metrics, such as precision, recall, intersect of union, with uncertainty boundaries accounting for the stochastic nature of the model. Our findings show that even in low latent-dimensional space (due to the limit in computational power of the classical quantum simulator), we are able to effectively capture the latent representation and hence the model performs better than the baseline. The findings are a projection for scaling the model into higher dimensional latent space with the Born machine surpassing the baseline performance. Figure 1. Sub-figure (a) demonstrates the architecture for the training phase. The model consists of a Prior and Posterior network that encode inputs and joint input-target data into compact representations, respectively. The Born machine represents the latent distribution, and the U-NET branch learns the segmentation patterns of the data. The stochasticity is introduced to the U-NET through its last layer to create meaningful but stochastic segmentations. Sub-figure (b) represents the inference phase where the model takes the stochastic behavior from the prior network and injects that into the U-NET. Each attempt of inference will generate different but similar segmentations from the same distribution of the wildfire event. REFERENCES [1] Coyle, B., Mills, D., Danos, V., & Kashefi, E. (2020). The Born supremacy: quantum advantage and training of an Ising Born machine. npj Quantum Information, 6(1), 1-11. [2] Liu, J. G., & Wang, L. (2018). Differentiable learning of quantum circuit born machines. Physical Review A, 98(6), 062324. [3] Kohl, S., Romera-Paredes, B., Meyer, C., De Fauw, J., Ledsam, J. R., Maier-Hein, K., ... & Ronneberger, O. (2018). A probabilistic u-net for segmentation of ambiguous images. Advances in neural information processing systems, 31.

quantum machine learning↗
DOE OSTI2022

KilonovaNet : Surrogate models of kilonova spectra with conditional variational autoencoders

ABSTRACT Detailed radiative transfer simulations of kilonova spectra play an essential role in multimessenger astrophysics. Using the simulation results in parameter inference studies requires building a surrogate model from the simulation outputs to use in algorithms requiring sampling. In this work, we present kilonovanet, an implementation of conditional variational autoencoders (cVAEs) for the construction of surrogate models of kilonova spectra. This method can be trained on spectra directly, removing overhead time of pre-processing spectra, and greatly speeds up parameter inference time. We build surrogate models of three state-of-the-art kilonova simulation data sets and present in-depth surrogate error evaluation methods, which can in general be applied to any surrogate construction method. By creating synthetic photometric observations from the spectral surrogate, we perform parameter inference for the observed light-curve data of GW170817 and compare the results with previous analyses. Given the speed with which kilonovanet performs during parameter inference, it will serve as a useful tool in future gravitational wave observing runs to quickly analyse potential kilonova candidates.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

HIERARCHICAL PROBABILISTIC INFERENCE OF COSMIC SHEAR

Point estimators for the shearing of galaxy images induced by gravitational lensing involve a complex inverse problem in the presence of noise, pixelization, and model uncertainties. We present a probabilistic forward modeling approach to gravitational lensing inference that has the potential to mitigate the biased inferences in most common point estimators and is practical for upcoming lensing surveys. The first part of our statistical framework requires specification of a likelihood function for the pixel data in an imaging survey given parameterized models for the galaxies in the images. We derive the lensing shear posterior by marginalizing over all intrinsic galaxy properties that contribute to the pixel data (i.e., not limited to galaxy ellipticities) and learn the distributions for the intrinsic galaxy properties via hierarchical inference with a suitably flexible conditional probabilitiy distribution specification. We use importance sampling to separate the modeling of small imaging areas from the global shear inference, thereby rendering our algorithm computationally tractable for large surveys. With simple numerical examples we demonstrate the improvements in accuracy from our importance sampling approach, as well as the significance of the conditional distribution specification for the intrinsic galaxy properties when the data are generated from an unknown number of distinct galaxy populations with different morphological characteristics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

On the Bayesian calibration of computer model mixtures through experimental data, and the design of predictive models

For many real systems, several computer models may exist with different physics and predictive abilities. To achieve more accurate simulations/predictions, it is desirable for these models to be properly combined and calibrated. Here, we propose the Bayesian calibration of computer model mixture method which relies on the idea of representing the real system output as a mixture of the available computer model outputs with unknown input dependent weight functions. The method builds a fully Bayesian predictive model as an emulator for the real system output by combining, weighting, and calibrating the available models in the Bayesian framework. Moreover, it fits a mixture of calibrated computer models that can be used by the domain scientist as a mean to combine the available computer models, in a flexible and principled manner, and perform reliable simulations. It can address realistic cases where one model may be more accurate than the others at different input values because the mixture weights, indicating the contribution of each model, are functions of the input. Inference on the calibration parameters can consider multiple computer models associated with different physics. The method does not require knowledge of the fidelity order of the models. We provide a technique able to mitigate the computational overhead due to the consideration of multiple computer models that is suitable to the mixture model framework. We implement the proposed method in a real-world application involving the Weather Research and Forecasting large-scale climate model.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1986

Thunderstorm cloud top dynamics as inferred from satellite observations and a cloud top parcel model

Thunderstorm top temperature-height structure and temperature-height conversion relations in the convective overshooting top region are examined using data from GOES IR, AVHRR, and aircraft overflights, and GOES stereoscopic observations. Using a Lagrangian one-dimensional cloud parcel model applied in the overshooting region, three classes of storm tops are described and the causes of their unique temperature-height structures are explored. Although the parcel model used does not fully reproduce the three-dimensional structure and dynamics of an evolving thunderstorm top, it is shown to crudely reproduce the parcel dynamics of updraft core parcels. The locations of cold points, high points, warm points, and the magnitude of cold-high offsets compare favorably between the model and the satellite observations.

Adler, Robert F.↗