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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 1,243 records · Page 69

Low-level water vapor fields from the VISSR Atmospheric Sounder (VAS) 'split window' channels

A simple physical algorithm is presented which calculates the water vapor content of the lower troposphere from the 11 and 12 micron (split window) channels on the VISSR Atmospheric Sounder (VAS) on the Geostationary Operational Environmental Satellites. The algorithm is used to analyze a time series of VAS split window radiances observed at 15 km horizontal resolution over eastern North America during a 12 hr period on 13 July 1981. Results of the color coded images of the derived precipitable water fields are found to show vivid water vapor features whose broad structure and evolution are verified by the radiosonde and surface networks. The satellite moisture fields also show significant mesoscale features and rapid developments which are not resolved by the conventional networks. The VAS split window is determined to clearly differentiate those areas in which water vapor extends over a deep layer and is more able to support convective cells from those areas in which water vapor is confined to a shallow layer and is therefore less able to support convection. It is concluded that the VAS split windows can be used operationally to monitor mesoscale developments in the low-level moisture fields over relatively cloud-free areas of the United States.

Chesters, D.↗

Benchmarking optimization methods for materials research: Gradient descent and Bayesian optimization for lithium-ion battery aging diagnostics

Accurate and efficient parameter estimation is essential for battery diagnostics and aging analysis. Here, in this study, we compare two optimization-based approaches—gradient descent and Bayesian optimization—for extracting parameters from differential voltage analysis in lithium-ion batteries. While these techniques are widely used, their relative strengths and limitations for this application are not well understood. The study evaluates the trade-offs between these methods in terms of result quality, computational cost, and reliability within this specific application. The diagnostic results from our battery data suggest adopting gradient descent as an initial method for rapid and efficient analysis, while employing more stable optimization techniques, such as Bayesian optimization, as a verification step to mitigate potential instability. Comparing the two methods provides information on algorithmic choice, while inspiring further discussions on selecting appropriate techniques for specific research tasks.

Zhao, Ziqing [Boston Univ., MA (United States)] (O↗

ARKODE: A Flexible IVP Solver Infrastructure for One-step Methods

We describe the ARKODE library of one-step time integration methods for ordinary differential equation (ODE) initial-value problems (IVPs). In addition to providing standard explicit and diagonally implicit Runge–Kutta methods, ARKODE supports one-step methods designed to treat additive splittings of the IVP, including implicit-explicit (ImEx) additive Runge–Kutta methods and multirate infinitesimal (MRI) methods. We present the role of ARKODE within the SUNDIALS suite of time integration and nonlinear solver libraries, the core ARKODE infrastructure for utilities common to large classes of one-step methods, as well as its use of “time stepper” modules enabling easy incorporation of novel algorithms into the library. Numerical results show example problems of increasing complexity, highlighting the algorithmic flexibility afforded through this infrastructure, and include a larger multiphysics application leveraging multiple algorithmic features from ARKODE and SUNDIALS.

97 MATHEMATICS AND COMPUTING↗

Randomized measurement protocols for lattice gauge theories

Randomized measurement protocols, including classical shadows, entanglement tomography, and randomized benchmarking are powerful techniques to estimate observables, perform state tomography, or extract the entanglement properties of quantum states. While unraveling the intricate structure of quantum states is generally difficult and resource-intensive, quantum systems in nature are often tightly constrained by symmetries. Furthermore, this can be leveraged by the symmetry-conscious randomized measurement schemes we propose, yielding clear advantages over symmetry-blind randomization such as reducing measurement costs, enabling symmetry-based error mitigation in experiments, allowing differentiated measurement of (lattice) gauge theory entanglement structure, and, potentially, the verification of topologically ordered states in existing and near-term experiments. Crucially, unlike symmetry-blind randomized measurement protocols, these latter tasks can be performed without relearning symmetries via full reconstruction of the density matrix.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Development of a Single-Phase, Transient, Subchannel Code, within the MOOSE Multi-Physics Computational Framework

Subchannel codes have been widely used for thermal-hydraulics analyses in nuclear reactors. This paper details the development of a novel subchannel code within the Idaho National Laboratory’s (INL) Multi-physics Object Oriented Simulation Environment (MOOSE). MOOSE is a parallel computational framework targeted at the solution of systems of coupled, nonlinear partial differential equations, that often arise in the simulation of nuclear processes. As such, it includes codes/modules able to solve the multiple linear and nonlinear physics that describe a nuclear reactor, under normal operation conditions or accidents. This includes thermal-hydraulics, fuel performance, and neutronics codes, between others. A MOOSE-based subchannel code is a new addition to the fleet of INL-developed codes, based on the MOOSE framework. In this work, we present the derivation of the subchannel equations for a single-phase fluid, we proceed with the description of the algorithm that is used to solve these equations and describe how this algorithm was implemented within MOOSE. We also present how this code can be coupled to the BISON fuel performance code. Next, we verify the friction model and the turbulent mixing model. We calibrate the turbulent modeling parameters for momentum mixing and enthalpy mixing, C T , β. We validate the code using experimental results and last demonstrate the coupling capabilities using a simple example.

42 ENGINEERING↗

CSAPR2 CMAC 2.0 level c1 data.

Raw data from ARM precipitation radars must be corrected for atmospheric phenomena and instrument characteristics (e.g., attenuation, clutter) to retrieve precipitation properties. The Corrected Moments in Antenna Coordinates Version 2 (CMAC2) value-added product (VAP) is a set of algorithms and code that does such corrections, and it also retrieves precipitation quantities from the radar measurements. Similar to the X-SAPR radars at the ARM main site, C-SAPR2 radar data also needs corrections and improvements. CMAC 2.0 has been updated to work with the ARM C-SAPR 2 radar. Data and fields that have been processed to: correct for velocity aliasing, unfold and generate a cross-polarimetric phase difference that is monotonically increasing, removing impulses caused by non-uniform beam filling and phase shift on backscatter, recalculate specific differential phase using a 20-point Sobel filter on the aforementioned phase, correct for liquid path attenuation using the polarimetric signals, estimate rainfall rates at the gate using the specific attenuation. In addition, CMAC writes the data out into a community-standard format netCDF File using the CF/Radial conventions. The data are therefore compatible with new and existing National Center for Atmospheric Research (NCAR) tools such as RadXConvert for converting to a variety of popular file formats.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of Terms in the Water Vapor Budget Using Airborne Dial and In Situ Measurements from the Southern Great Plans 1997 Experiment

The Southern Great Plains (SGP97) field experiment was conducted in Oklahoma during June and July 1997 primarily to validate soil moisture retrieval algorithms using microwave radiometer measurements from aircraft as well as in situ surface measurements. One important objective of the SGP97 experiment plan was to examine the effect of soil moisture on the evolution of the atmospheric boundary layer (ABL) and clouds over the Southern Great Plains during the warm season. To support boundary layer studies during SGP97. the NASA Langley Research Center's Lidar Atmospheric Sensing Experiment (LASE) was flown on a NASA-P3 aircraft in conjunction with the Electronically Scanned Thinned Array Radiometer (ESTAR). The LASE instrument is an airborne, downward-looking differential absorption lidar (DIAL) system capable of measuring water vapor concentration as well as aerosol backscatter with high horizontal and vertical resolution in the ABL. Here, we will demonstrate how the LASE data can be used to determine water vapor statistics and most of the water vapor budget terms in the ABL. This information can then be related to spatial variations in soil moisture and the surface energy budget. The extensive surface and aircraft in situ measurements conducted during SGP97 provide information on the ABL that cannot be retrieved from the LASE data alone and also offer an excellent opportunity to validate the remote water vapor budget measurements with LASE.

Senff, Christoph J.↗

Technical Background and Validation Report on the Residential Water Inhalation Risk Calculator Presented in the Risk Assessment Information System

Indoor air quality (IAQ) is critical for human health. Poor IAQ is linked to respiratory issues, cardiovascular diseases, and cancer. Indoor pollutants are emitted by typical household items such as cleaning products, personal care items, building materials, and tap water - an understudied volatile organic compound (VOC) source. This document presents the Residential Water Inhalation Risk Calculator (RWIRC), which estimates daily VOC exposure concentrations from various household water uses, such as showering and dishwashing, to assess exposure risks for the most vulnerable occupant. Integrated into the Risk Assessment Information System (RAIS) and sponsored by the US Department of Energy (DOE), the calculator divides a house into three compartments: shower, bathroom, and other spaces, accounting for daily water usage patterns and calculating VOC concentrations. Exposure data generated using the calculator can assist health assessors in estimating excess lifetime cancer risk (ELCR) and hazard index (HI) from VOC inhalation. Unlike traditional exposure models that utilize Andelman’s constant, the RWIRC continuously assesses variability in VOC concentrations and environmental conditions using differential equations to track VOC concentrations and air exchange between compartments. The calculator also provides unique volatilization fractions for each chemical and appliance, enhancing accuracy of the exposure concentration estimation. The RWIRC is accessible online and allows users to customize parameters (i.e., number of bathrooms, water temperature, and exhaust fan conditions) and input VOC characteristics (i.e., tap water and ambient air concentrations). This document provides a step-by-step guide on implementing the calculator. It also provides comparisons with the ATSDR-SHOWER calculator, using eight VOCs with varying physicochemical properties to reveal differences in algorithms and output concentrations. Simulations also assess how bathroom door positions and exhaust fan usage affect VOC exposure. The calculator results can enhance EPA risk screening levels for inhalation exposure to VOCs from tap water, offering a sophisticated tool for assessing inhalation risks and improving public health protection.

54 ENVIRONMENTAL SCIENCES↗

Analysis of the Continuous Stellar Tracking Attitude Reference (CSTAR) attitude rate processor

The Continuous Stellar Tracking Attitude Reference (CSTAR) system is an in-house project for Space Station to provide high accuracy, drift free attitude and angular rate information for the GN&C system. The outputs of the solid state star trackers are processed to provide attitude information; rate data is then derived from the attitude. Rate derivation is based on discrete time polynomial approximation techniques. This gives simple algorithms which allow for interpolation by other users. Attitude rate is modeled as a constant with low amplitude, low frequency sinusoids superimposed. The rate processor is parameterized to account for the effects of random errors, sample rate, data processing rate and perturbation frequency. The baseline system may be characterized as follows: the three sigma attitude accuracy is 0.01 degrees, the three sigma rate accuracy is 0.0001 degrees per second, the sample rate is 100 Hertz, the sampled signal is bandlimited to 0.5 Hertz, and the data processing rate is 10 Hertz. The above system requires a differentiator of length 127. This will track rate perturbations of frequencies less than 0.01 Hertz with low systematic errors.

Uhde-Lacovara, J.↗

Bayesian Optimization Framework for Imperfect Data or Models

Conventional Bayesian optimization methods implicitly assume that the data and model being optimized are “perfect.” This assumption leads to inaccurate posterior probability distribution functions (PDFs) when applied to “imperfect” data or models. The new Bayesian optimization framework presented in this report provides a way to parameterize the effect of imperfections usually encountered in a prior PDF of generalized data or a model on the posterior PDF. The effects of imperfections are parameterized by a set of constraints imposed on the posterior expectation values of deviations between the data and the model and on their covariance matrix elements. A particular set of values for these constraints conveys an evaluator’s best estimate of the effect of imperfections on the corresponding posterior expectation values. When a prior PDF of generalized data is assumed to be normal, an expression for a posterior PDF satisfying an arbitrary set of constraints is derived analytically for linear models. An analogous iterative algorithm is given for nonlinear models. The corresponding posterior PDF should be used to estimate any posterior expectation values in the presence of imperfections parameterized by that set of constraints. A posterior PDF of a conventional Bayesian optimization method is recovered analytically when all evaluator-specified constraints are set to zero (i.e., in the absence of any imperfections). The analytical expressions derived in this report for normal PDFs and linear models were verified numerically by a Metropolis–Hastings Monte Carlo method. The methods presented herein could be applied to any kind of data or models, including differential cross-section data or integral benchmark experiments.

97 MATHEMATICS AND COMPUTING↗

Analysis of composite ablators using massively parallel computation

In this work, the feasibility of using massively parallel computation to study the response of ablative materials is investigated. Explicit and implicit finite difference methods are used on a massively parallel computer, the Thinking Machines CM-5. The governing equations are a set of nonlinear partial differential equations. The governing equations are developed for three sample problems: (1) transpiration cooling, (2) ablative composite plate, and (3) restrained thermal growth testing. The transpiration cooling problem is solved using a solution scheme based solely on the explicit finite difference method. The results are compared with available analytical steady-state through-thickness temperature and pressure distributions and good agreement between the numerical and analytical solutions is found. It is also found that a solution scheme based on the explicit finite difference method has the following advantages: incorporates complex physics easily, results in a simple algorithm, and is easily parallelizable. However, a solution scheme of this kind needs very small time steps to maintain stability. A solution scheme based on the implicit finite difference method has the advantage that it does not require very small times steps to maintain stability. However, this kind of solution scheme has the disadvantages that complex physics cannot be easily incorporated into the algorithm and that the solution scheme is difficult to parallelize. A hybrid solution scheme is then developed to combine the strengths of the explicit and implicit finite difference methods and minimize their weaknesses. This is achieved by identifying the critical time scale associated with the governing equations and applying the appropriate finite difference method according to this critical time scale. The hybrid solution scheme is then applied to the ablative composite plate and restrained thermal growth problems. The gas storage term is included in the explicit pressure calculation of both problems. Results from ablative composite plate problems are compared with previous numerical results which did not include the gas storage term. It is found that the through-thickness temperature distribution is not affected much by the gas storage term. However, the through-thickness pressure and stress distributions, and the extent of chemical reactions are different from the previous numerical results. Two types of chemical reaction models are used in the restrained thermal growth testing problem: (1) pressure-independent Arrhenius type rate equations and (2) pressure-dependent Arrhenius type rate equations. The numerical results are compared to experimental results and the pressure-dependent model is able to capture the trend better than the pressure-independent one. Finally, a performance study is done on the hybrid algorithm using the ablative composite plate problem. It is found that there is a good speedup of performance on the CM-5. For 32 CPU's, the speedup of performance is 20. The efficiency of the algorithm is found to be a function of the size and execution time of a given problem and the effective parallelization of the algorithm. It also seems that there is an optimum number of CPU's to use for a given problem.

Shia, David↗

An Initial Investigation of the Effects of Turbulence Models on the Convergence of the RK/Implicit Scheme

A three-stage Runge-Kutta (RK) scheme with multigrid and an implicit preconditioner has been shown to be an effective solver for the fluid dynamic equations. This scheme has been applied to both the compressible and essentially incompressible Reynolds-averaged Navier-Stokes (RANS) equations using the algebraic turbulence model of Baldwin and Lomax (BL). In this paper we focus on the convergence of the RK/implicit scheme when the effects of turbulence are represented by either the Spalart-Allmaras model or the Wilcox k-! model, which are frequently used models in practical fluid dynamic applications. Convergence behavior of the scheme with these turbulence models and the BL model are directly compared. For this initial investigation we solve the flow equations and the partial differential equations of the turbulence models indirectly coupled. With this approach we examine the convergence behavior of each system. Both point and line symmetric Gauss-Seidel are considered for approximating the inverse of the implicit operator of the flow solver. To solve the turbulence equations we use a diagonally dominant alternating direction implicit (DDADI) scheme. Computational results are presented for three airfoil flow cases and comparisons are made with experimental data. We demonstrate that the two-dimensional RANS equations and transport-type equations for turbulence modeling can be efficiently solved with an indirectly coupled algorithm that uses the RK/implicit scheme for the flow equations.

Swanson, R. C.↗

Sequence of polyhedral relaxations for nonlinear univariate functions

Here, given a nonlinear, univariate, bounded, and differentiable function f(x), this article develops a sequence of Mixed Integer Linear Programming (MILP) and Linear Programming (LP) relaxations that converge to the graph of f(x) and its convex hull, respectively. Theoretical convergence of the sequence of relaxations to the graph of the function and its convex hull is established. For nonlinear non-convex optimization problems, the relaxations presented in this article can be used to construct tight MILP and LP relaxations. These MILP and the LP relaxations can also be used with MILP-based and spatial branch-and-bound based global optimization algorithms, respectively.

42 ENGINEERING↗

Super Resolving Unrolled Neural Networks for Remote Sensing

In remote sensing systems, the capabilities of the system are constrained by the complex interactions between size, weight, and power (SWAP) of potential designs. In electro-optical (EO) systems, examples of these critical parameters include the system’s sensitivity and resolution. Those parameters can be increased by ever larger optical apertures and focal planes but at the cost of more SWAP. Multi-image super resolution (MISR) techniques allow resolution to be enhanced via computation rather than more sophisticated optical hardware. These algorithms combine multiple images together into a single, higher resolution image, trading temporal resolution and computation for spatial resolution. Fielded MISR techniques, such as Drizzle, can require several hundred images to create a single super resolved image, implying reduced temporal resolution, increased data acquisition load, and limiting mission applications. Iterative techniques, such as model-based image reconstruction and compressive sensing, have been shown to create super resolved images using fewer images than Drizzle. They do this by posing an optimization problem that balances accuracy between a highly accurate physical model and an image model. In the case of super resolution, the physical model is defined by the relation between low resolution input images and the desired high resolution output image. The image model encodes some assumptions about the super resolved image. These assumptions are meant to suppress reconstruction artifacts that arise due to deterministic physical model error, stochastic measurement noise, and potential undersampling. In practice, the performance of iterative methods are limited by imaging models compatible with optimization. Deep learning-based methods can effectively learn image models of arbitrary complexity, but lack the theoretical explainability and robustness of iterative techniques. Consensus equilibrium (CE) generalizes the iterative techniques beyond optimization, enabling blackbox algorithms such as traditional and neural image denoisers to be used as the image model. CE-based approaches retain much of the explainability and robustness of iterative techniques while allowing the expressiveness of machine learning image models to be used. Additionally, by unrolling iterations of CE with an embedded image denoiser, the image denoiser can be further trained and specialized to the specific application with potentially higher quality reconstructions. Under this project, we demonstrated the feasibility of training an unrolled neural network based upon CE. While we didn’t train one, we showed that the CE process is differentiable and its gradient can be tractably computed. We also explored the usage of a variants of CE akin to generative neural works. Most importantly, we applied the CE framework to a number of problems including non-blind deconvolution, upsampling, single-image super resolution, MISR, event-based sensing, and saturated deconvolution. Our MISR prototype creates high quality reconstructions with an order of magnitude fewer images than previous approaches and, critically, produces these reconstructions fast enough for practical usage.

47 OTHER INSTRUMENTATION↗

Optical Measurements and Modeling to Estimate Concentrations and Fluxes of Organic Matter in the Southern Ocean

This project was a collaboration between two Principal Investigators, Dr. Dariusz Stramski and Dr. Greg Mitchell of Scripps Institution of Oceanography, University of California San Diego. Our overall goal was to conduct optical measurements and modeling to estimate concentrations of organic matter in the Southern Ocean in support of the U.S. JGOFS Process Study in this region. Key variables and processes of high relevance to accomplish the JGOFS goals include time and space resolution of phytoplankton pigments, particulate organic carbon, and the formation and export of organic carbon. Our project focused on establishing the fundamental relationships for parameterization of these variables and processes in terms of the optical properties of seawater, and developing understanding of why the Southern Ocean differs from other low-latitude systems, or has differentiation within. Our approach builds upon historical observations that optical properties provide a useful proxy for key reservoirs of organic matter such as chlorophyll alpha (Chl) and particulate organic carbon (POC) concentrations, which are of relevance to the JGOFS objectives. We carried out detailed studies of in situ and water sample optical properties including spectral reflectance, absorption, beam attenuation, scattering, and backscattering coefficients. We evaluated the ability to estimate Chl from the spectral reflectance (ocean color) in the Southern Ocean. We examined relationships between the ocean optical properties and particulate organic carbon. We developed, for the first time, an algorithm for estimating particulate organic carbon concentration in the surface ocean from satellite imagery of ocean color. With this algorithm, we obtained maps of POC distribution in the Southern Ocean showing the seasonal progression of POC in the austral spring-summer season. We also developed a semianalytical reflectance model for the investigated polar waters based on our field measurements of absorption and backscattering coefficients and Chl-dependent parameterizations of these coefficients. With this model, libraries of expected reflectance spectra for various chlorophyll concentrations can be generated with high spectral resolution for specific oceanic regions. In addition, our semianalytical reflectance model provided insight into the mechanisms which drive the empirical relationships between the ocean color and chlorophyll concentration. Our optical approach to the study of pigment and carbon concentrations will be directly relevant to development of system models and long-term monitoring of the Southern Ocean.

Stramski, Dariusz↗

Progress on Inverse Estimation Technique of Non-Linear Pitch Damping Coefficient Curves Using Free-Flight CFD Generated Trajectories

Characterization of entry vehicle pitch damping coefficient curves is crucial to ensure appropriate re-entry and overall mission success. The pitch damping coefficient (C_(m_q )+C_(m_α ̇ )) is used to encapsulate the oscillatory growth or decay of a body during a trajectory. The inverse estimation technique utilizes an existing Free-Flight CFD (FF-CFD) dataset and wraps a reconstruction algorithm in an optimizer. The reconstruction integrates the planar equations of motion derived by Schoenenberger, Queen [1] using Python’s scipy.integrate.solve_ivp. The optimizer’s objective function is the normalized 𝐿2 residual of the angle of attack peaks between the reconstructed trajectory and the original data produced with FF-CFD. Inclusion of the peak times in this residual calculation allows for simultaneous optimization of the pitch moment coefficient, C_(m_α ). This residual equation is shown below in Eq. 1. The optimizer scipy.optimize.minimize was used with the gradient-based Powell method for the analysis presented, however the differential evolution method was investigated as means of comparison, and was found to produce marginally lower residual values with prohibitively longer run times. Further, the pitch damping curve is found by fitting a cubic interpolation function to a set of (α, (C_(m_q )+C_(m_α ̇ ))) control points, where the α points are held constant and the (C_(m_q )+C_(m_α ̇ )) values are the optimized parameters. The pitch moment curve uses a linear interpolation between the minimum and maximum α in the dataset. FF-CFD generated trajectories using the Dragonfly capsule geometry with the Genesis ballistic range model parameters were simulated and used for this analysis. These FF-CFD trajectories simulate planar motion, as restricted by the reconstructing the equations of motion, of three different cases: 1-DoF (free-to-pitch), 2-DoF (free-to-pitch and heave), and 3-DoF (free-to-pitch, heave, and decelerate). Pitch damping coefficient curves generated using this inverse estimation curve technique with FF-CFD 1-DoF Dragonfly data are found in Fig. 1. Preliminary results reconstructing ballistic range shots using these FF-CFD derived predictions of the pitch damping curve (Fig. 1) are shown in Fig. 2. It should be noted that the ballistic range shot used a Genesis model whereas the FF-CFD data used a Dragonfly geometry, however these geometries are similar.

entry↗

Asymptotic-preserving dynamical low-rank method for the stiff nonlinear Boltzmann equation

In kinetic theory, numerically solving the full Boltzmann equation is extremely expensive. This is because the Boltzmann collision operator involves a high-dimensional, nonlinear integral that must be evaluated at each spatial grid point and every time step. The challenge becomes even more pronounced in the fluid (strong collisionality) regime, where the collision operator exhibits strong stiffness, causing explicit time integrators to impose severe stability restrictions. In this paper, we propose addressing this problem through a dynamical low-rank (DLR) approximation. The resulting algorithm requires evaluating the Boltzmann collision operator only r 2 times, where r, the rank of the approximation, is much smaller than the number of spatial grid points. We propose a novel DLR integrator, called the XL integrator, which reduces the number of steps compared to the available alternatives (such as the projector splitting or basis update & Galerkin (BUG) integrator). For a class of problems including the Boltzmann collision operator which enjoys a separation property between physical and velocity space, we further propose a specialized version of the XL integrator, called the sXL integrator. This version requires solving only one differential equation to update the low-rank factors. Furthermore, the proposed low-rank schemes are asymptotic-preserving, meaning they can capture the asymptotic fluid limit in the case of strong collisionality. Our numerical experiments demonstrate the efficiency and accuracy of the proposed methods across a wide range of regimes, from non-stiff (kinetic) to stiff (fluid).

97 MATHEMATICS AND COMPUTING↗