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DOE OSTI2025

Source function from two-particle correlation function through entropy-regularized Richardson-Lucy deblurring

Source functions are obtained from p – p and d – α correlation functions by applying the Richardson-Lucy (RL) deblurring to the Koonin-Pratt (KP) equation. To prevent fitting of noise in the correlation function, total-variation (TV) regularization is employed that has been effective in ordinary image restoration. TV alone cannot ensure normalization of the source functions. To ensure the latter, we propose a maximum-entropy regularized RL algorithm (MEM-RL). We outline the MEM-RL formalism and optimization strategy for the KP equation, demonstrating its effectiveness on both simulated and experimental data, including the p – p and d – α correlation functions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2023

Search for low mass dark matter in DarkSide-50: the bayesian network approach

Abstract We present a novel approach for the search of dark matter in the DarkSide-50 experiment, relying on Bayesian Networks. This method incorporates the detector response model into the likelihood function, explicitly maintaining the connection with the quantity of interest. No assumptions about the linearity of the problem or the shape of the probability distribution functions are required, and there is no need to morph signal and background spectra as a function of nuisance parameters. By expressing the problem in terms of Bayesian Networks, we have developed an inference algorithm based on a Markov Chain Monte Carlo to calculate the posterior probability. A clever description of the detector response model in terms of parametric matrices allows us to study the impact of systematic variations of any parameter on the final results. Our approach not only provides the desired information on the parameter of interest, but also potential constraints on the response model. Our results are consistent with recent published analyses and further refine the parameters of the detector response model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1987

Details of the computed flowfield over a circular cylinder at Reynolds number 1200

The application of an upwind-biased implicit approximate factorization Navier-Stokes algorithm to the unsteady impulsive start-up flow over a circular cylinder at Reynolds number 1200 is described. The complete form of the compressible Navier-Stokes equations is used, and the algorithm is second-order accurate in both space and time. The development with time of the shape and size of the separated vortical flow region is computed, as well as the time-variation of several boundary layer parameters and profile shapes. Computations, in general, show excellent agreement with experiment, although the present method predicts a more rapid onset of reversed flow on the cylinder than evidenced in experiment. The changes that the vortical region behind the cylinder undergoes as the symmetric flow transitions to periodic vortex shedding are discussed. The flow becomes periodic with a Strouhal frequency of 0.222, which compares well with the experimental value of approximately 0.21. The effect of grid density on the development of the unsteady flow is also shown.

Rumsey, C. L.↗

NASA NTRS1997

The Automated Instrumentation and Monitoring System (AIMS): Design and Architecture

Whether a researcher is designing the 'next parallel programming paradigm', another 'scalable multiprocessor' or investigating resource allocation algorithms for multiprocessors, a facility that enables parallel program execution to be captured and displayed is invaluable. Careful analysis of such information can help computer and software architects to capture, and therefore, exploit behavioral variations among/within various parallel programs to take advantage of specific hardware characteristics. A software tool-set that facilitates performance evaluation of parallel applications on multiprocessors has been put together at NASA Ames Research Center under the sponsorship of NASA's High Performance Computing and Communications Program over the past five years. The Automated Instrumentation and Monitoring Systematic has three major software components: a source code instrumentor which automatically inserts active event recorders into program source code before compilation; a run-time performance monitoring library which collects performance data; and a visualization tool-set which reconstructs program execution based on the data collected. Besides being used as a prototype for developing new techniques for instrumenting, monitoring and presenting parallel program execution, AIMS is also being incorporated into the run-time environments of various hardware testbeds to evaluate their impact on user productivity. Currently, the execution of FORTRAN and C programs on the Intel Paragon and PALM workstations can be automatically instrumented and monitored. Performance data thus collected can be displayed graphically on various workstations. The process of performance tuning with AIMS will be illustrated using various NAB Parallel Benchmarks. This report includes a description of the internal architecture of AIMS and a listing of the source code.

Yan, Jerry C.↗

NASA NTRS2003

Retrieval and Analysis of Stratospheric NO2 from GOME

In this paper we describe the retrieval of stratospheric NO2 from the GOME (Global Ozone Monitoring Experiment) spectrometer. For this retrieval the Differential Optical Absorption Spectroscopy (DOAS) is used and we describe the influence of the instrument s characteristics on this measurement technique. This analysis led to an improved version of the DOAS algorithm resulting in results with lower systematic errors. Subsequently these results were used to separate the tropospheric and stratospheric fraction of the measured NO;! in the atmosphere. This paper is focusing on the annual variations of the stratospheric distribution of nitrogen oxides. For this examination the satellite data from beginning of 1996 to the end of 2001 was used and has been visualized in a plot zonal means versus time of the year, a visualization which proved to be very useful for Ozone. Additionally the so called "Noxon Cliff", a drop of NO2 column densities Noxon measured in 1975-77 while traveling northwards towards the pole in Canada, is shown. Also its southern equivalent could be discovered in the GOME data.

Wenig, M.↗

NASA NTRS1999

A Viscoelastic Hybrid Shell Finite Element

An elastic large displacement thick-shell hybrid finite element is modified to allow for the calculation of viscoelastic stresses. Internal strain variables are introduced at he element's stress nodes and are employed to construct a viscous material model. First order ordinary differential equations relate the internal strain variables to the corresponding elastic strains at the stress nodes. The viscous stresses are computed from the internal strain variables using viscous moduli which are a fraction of the elastic moduli. The energy dissipated by the action of the viscous stresses in included in the mixed variational functional. Nonlinear quasi-static viscous equilibrium equations are then obtained. Previously developed Taylor expansions of the equilibrium equations are modified to include the viscous terms. A predictor-corrector time marching solution algorithm is employed to solve the algebraic-differential equations. The viscous shell element is employed to numerically simulate a stair-step loading and unloading of an aircraft tire in contact with a frictionless surface.

Johnson, Arthur↗

NASA NTRS2005

Solar Sail Attitude Control Performance Comparison

Performance of two solar sail attitude control implementations is evaluated. One implementation employs four articulated reflective vanes located at the periphery of the sail assembly to generate control torque about all three axes. A second attitude control configuration uses mass on a gimbaled boom to alter the center-of-mass location relative to the center-of-pressure producing roll and pitch torque along with a pair of articulated control vanes for yaw control. Command generation algorithms employ linearized dynamics with a feedback inversion loop to map desired vehicle attitude control torque into vane and/or gimbal articulation angle commands. We investigate the impact on actuator deflection angle behavior due to variations in how the Jacobian matrix is incorporated into the feedback inversion loop. Additionally, we compare how well each implementation tracks a commanded thrust profile, which has been generated to follow an orbit trajectory from the sun-earth L1 point to a sub-L1 station.

Bladt, Jeff J.↗

NASA NTRS2014

In-situ Microwave Brightness Temperature Variability from Ground-based Radiometer Measurements at Dome C in Antarctica Induced by Wind-formed Features

Space-borne microwave radiometers are among the most useful tools to study snow and to collect information on the Antarctic climate. They have several advantages over other remote sensing techniques: high sensitivity to snow properties of interest (temperature, grain size, density), subdaily coverage in the polar regions, and their observations are independent of cloud conditions and solar illumination. Thus, microwave radiometers are widely used to retrieve information over snow-covered regions. For the Antarctic Plateau, many studies presenting retrieval algorithms or numerical simulations have assumed, explicitly or not, that the subpixel-scale heterogeneity is negligible and that the retrieved properties were representative of whole pixels. In this presentation, we investigate the spatial variations of brightness temperature over arange of a few kilometers in the Dome C area (Antarctic Plateau).

Antarctica↗

NASA NTRSDate not supplied

Towards Energy Scale Calibration and Drift Correction of TES Detectors for Athena X-IFU

The Athena X-Ray Integral Field Unit (X-IFU) comprises a 2376-pixel array of transition edge sensors (TES) read out with time-division multiplexing (TDM). X-IFU will provide spatially resolved, high-resolution spectroscopy (2.5 eV full-width-half-maximum up to 7 keV) over the energy range 0.2 to 12 keV, with an absolute energy scale accuracy of 0.4 eV. The energy scale function maps the optimally filtered pulse height, in arbitrary engineering units, to real calibrated energy. Uncertainties in the calibration can result from imperfect fitting of the energy scale between the known calibration points. Furthermore, temporal changes in the TES operating environment, such as heat-sink temperature, magnetic field and bias voltage, can cause significant variations in the detector gain function over time. If not properly corrected, this can result in degradation of the energy resolution, and systematic errors in the absolute energy scale. The non-linear nature of TES detectors, coupled with the possibility of multiple simultaneously occurring sources of drift, can make effective corrections over the full bandpass of the instrument extremely challenging. Athena X-IFU will employ an on-board calibration source that provides known reference x-ray lines. This provides real-time monitoring of the gain stability of the detector system and information that can be used to correct for gain drifts. For X-IFU the baseline approach is to measure a series of calibration curves under different environmental conditions, which bound the expected drifts the instrument is predicted to see over the course of the mission. Using the information from the in-flight calibration source, these energy scale functions can be interpolated to generate a new corrected energy scale as a function of time. In this paper we discuss progress towards demonstrating that the X-IFU energy scale requirements can be met. We present measurements on ~ 200 pixels in a prototype X-IFU array read out with 8-column x 32-row TDM. We use a rotating target source containing 12 fluorescent targets to generate x-ray lines covering the energy range 4 keV (Sc-Kα) to 12 keV (Br-Kα). We present measurements of the non-linear energy scale function and show how variations in heat-sink temperature, TES bias voltage and magnetic field affect the shape of TES energy scale differently and introduce different residual gain errors over the bandpass. We explore different drift correction algorithms that use either a single or multiple referential lines to track and correct the gain from these various sources of drift. In addition to the pulse-height, the DC ‘baseline’ level of the TES can contain information about its bias conditions. Thus, we test a multi-parameter gain correction algorithm that attempts to incorporate both the pulse height and the additional baseline information into the algorithm.

Stephen J Smith↗

DOE OSTI2025

A Parametric, Data-Driven, Non-Intrusive Reduced-Order Model Framework for Crystal Plasticity Simulations of Voids

The influence of the internal structure at micrometer length scales on the deformation of polycrystalline materials can be effectively captured using crystal plasticity finite element methods (CPFEM). However, the complexity and nonlinearity of the deformation equations CPFEM solves demand significant computational power and resources to achieve accurate predictions, limiting its broader application. To address this challenge, we have identified a reduced-order representation of the complex data in order to establish a computationally efficient reduced-order models (ROM) and drastically reduce the computational expense of CPFEM. Specifically, in this work, we developed a parametric, data-driven, and non-intrusive ROM framework for CPFEM using proper orthogonal decomposition (POD) and sparse variational Gaussian process (SVGP) regression for single-crystal microstructures under tensile loading conditions. The developed protocol enables one to compress field into a latent/low-dimensional space described by principal component analysis (PCA) via the singular value decomposition (SVD) algorithm. As a result, the high-dimensional data are reduced to a significantly smaller amount of dimensions with POD bases and POD coefficients. Furthermore, we deployed an ensemble of SVGPs—extended from the classical Gaussian process (GP) regression for scalability and handling big data—in a massively parallel manner to train and predict latent POD coefficients using known POD bases from a set of previously obtained simulations results. Lastly, using the predicted POD coefficients, we reconstructed the full-field results and showed reasonable agreement compared with the true values obtained from running CPFEM. The developed framework is validated with a set of CPFEM simulations of a single embedded void in single-crystal aluminum alloy. While the framework is broadly applicable, this work specifically focuses on single-crystal microstructures, a single load case (e.g., tensile), and a specific void geometry (spherical).

Anisotropy↗

DOE OSTI2023

Relativistic resolution-of-the-identity with Cholesky integral decomposition

In this study, we present an efficient integral decomposition approach called the restricted-kinetic-balance resolution-of-the-identity (RKB-RI) algorithm, which utilizes a tunable RI method based on the Cholesky integral decomposition for in-core relativistic quantum chemistry calculations. The RKB-RI algorithm incorporates the restricted-kinetic-balance condition and offers a versatile framework for accurate computations. Notably, the Cholesky integral decomposition is employed not only to approximate symmetric large-component electron repulsion integrals but also those involving small-component basis functions. In addition to comprehensive error analysis, we investigate crucial conditions, such as the kinetic balance condition and variational stability, which underlie the applicability of Dirac relativistic electronic structure theory. Here we compare the computational cost of the RKB-RI approach with the full in-core method to assess its efficiency. To evaluate the accuracy and reliability of the RKB-RI method proposed in this work, we employ actinyl oxides as benchmark systems, leveraging their properties for validation purposes. This investigation provides valuable insights into the capabilities and performance of the RKB-RI algorithm and establishes its potential as a powerful tool in the field of relativistic quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Paleo-Megadroughts and Abrupt Climate Changes in the Speleothem Records. Final report

This project is motivated by the speleothem isotope records in Asia, which show regional responses in the hydrologic cycle to different climate forcings. Speleothem isotopic records are typically interpreted in terms of local precipitation variations or monsoon intensity. Our study demonstrates that non-local processes also play an important role. We started this project to understand the regional difference in speleothem isotopic composition between the Last Glacial Maximum (LGM) and the present-day. The record in Southwest China showed greater depletion during the LGM compared to those in East China. Our modeling and analysis showed that speleothems record, in addition, large scale changes in atmospheric circulation and moisture transport and their subsequent impact on precipitation. We developed an algorithm to partition total precipitation according to their formation dynamics, namely into frontal and non-frontal precipitation, and showed that the two have different trends and hence different causal mechanism. We then focused our subsequent attention on circulation impacts on precipitation changes. We applied a machine learning algorithm to detect rainbands in the ERA-Interim reanalysis product, and showed that the seasonal migrations of the rainbands are tied to the seasonal migrations of the jet stream, in particular the northerlies of the jet meanders. These northerlies, in turn, are partly topographic Rossby waves excited as the upstream westerlies impinge on the Tibetan Plateau. The seasonal variations of these upstream westerlies thus contribute to the seasonal movements of the rainbands and regional precipitation changes. Our analysis of the modern precipitation isotope record further confirms the importance of jet stream changes in the isotopic variations and shows that isotope-enriched years have reduced summer seasonality, with less pronounced northward migration of the jet.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. Proposed here are two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA), provides a rough classification which is essentially parameter free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs), can generate 3D structures of the objects at any point in the structural landscape. Both these methods are implemented in combination with the noise-tolerant expand–maximize–compress (EMC) algorithm and its utility is demonstrated by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern. Both discrete structural classes and continuous deformations are recovered. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility of moving beyond the study of homogeneous sample sets to addressing open questions on topics such as nanocrystal growth and dynamics, as well as phase transitions which have not been externally triggered.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Exponential time differencing scheme for mass transport and depletion in molten salt reactors

This work extends the capability previously shown for addressing the problem of computing depletion and mass transport calculations in molten salt reactors (MSRs) by calculating matrix exponentials. Additional algorithms are implemented to compute the matrix exponential and the action of the matrix exponential on a matrix. These algorithms include two methods based on the Pade approximation, a Taylor series method, and three methods based on Cauchy's integral formula. In addition to the added matrix exponential solvers, a variable-order total variation diminishing scheme is applied to the convective flux approximation to provide enhanced accuracy. Finally, a simplified MSR problem is shown for each of the exponential time differencing solvers along with classical backwards differencing integrators. The results show excellent convergence for exponential time differencing methods. Computation time is a key element for selecting the optimal solver in these problems, and this work shows that Pade and Cauchy-based solvers may provided the fastest and most accurate solutions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1999

Tropical Rainfall Analysis Using TRMM in Combination With Other Satellite Gauge Data: Comparison with Global Precipitation Climatology Project (GPCP) Results

This paper describes recent results of using Tropical Rainfall Measuring Mission (TRMM) information as the key calibration tool in a merged analysis on a 1 deg x 1 deg latitude/longitude monthly scale based on multiple satellite sources and raingauge analysis. The procedure used to produce the GPCP data set is a stepwise approach which first combines the satellite low-orbit microwave and geosynchronous IR observations into a "multi-satellite" product and than merges that result with the raingauge analysis. Preliminary results produced with the still-stabilizing TRMM algorithms indicate that TRMM shows tighter spatial gradients in tropical rain maxima with higher peaks in the center of the maxima. The TRMM analyses will be used to evaluate the evolution of the 1998 ENSO variations, again in comparison with the GPCP analyses.

Adler, Robert F.↗

NASA NTRS2000

Guidance Concept for a Mars Ascent Vehicle First Stage

This paper presents a guidance concept for use on the first stage of a Mars Ascent Vehicle (MAV). The guidance is based on a calculus of variations approach similar to that used for the final phase of the Apollo Earth return guidance. A three degree-of-freedom (3DOF) Monte Carlo simulation is used to evaluate performance and robustness of the algorithm.

Queen, Eric M.↗

NASA NTRS2015

Meteor Shower Identification and Characterization with Python

The short development time associated with Python and the number of astronomical packages available have led to increased usage within NASA. The Meteoroid Environment Office in particular uses the Python language for a number of applications, including daily meteor shower activity reporting, searches for potential parent bodies of meteor showers, and short dynamical simulations. We present our development of a meteor shower identification code that identifies statistically significant groups of meteors on similar orbits. This code overcomes several challenging characteristics of meteor showers such as drastic differences in uncertainties between meteors and between the orbital elements of a single meteor, and the variation of shower characteristics such as duration with age or planetary perturbations. This code has been proven to successfully and quickly identify unusual meteor activity such as the 2014 kappa Cygnid outburst. We present our algorithm along with these successes and discuss our plans for further code development.

Moorhead, Althea↗

NASA NTRS2021

First retrieval of AOD at fine-resolution over shallow and turbid coastal waters from MODIS

The widely used Moderate Resolution Imaging Spectroradiometer (MODIS) Dark-Target (DT) aerosol product fails to accurately retrieve Aerosol Optical Depth (AOD) over shallow and turbid Coastal Waters (CWs). To fill in gaps, and to improve land to ocean AOD continuity, we developed a coastal water retrieval algorithm at a spatial resolution of 1 km (CW-1km). CW-1km relies on observed top-of-atmosphere reflectance at 2.1 μm (ρ2.1), both to derive AOD and to perform a spatial variation test that enhances the existing DT masks for clouds and land. We show that the CW-1km improves spatial continuity of AOD between land, coast, and open ocean, while also increasing AOD product availability by 47.0%. Comparing with 15 years of marine aerosol network measurements, CW-1km AODs are validated to have a normalized mean bias of 1.0%, which is much smaller than 17.6% for the original DT product.

MODIS AOD↗