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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Experimentally-Derived Phase Function Approximations in Support of the Orbital Debris Program Office

The NASA Orbital Debris Program Office (ODPO) has used various optical assets to acquire photometric data of Earth-orbiting objects to define the orbital debris environment. To better characterize and model optical data acquired from ground-based telescopes, the Optical Measurements Center (OMC) at NASA Johnson Space Center emulates illumination conditions seen in space by using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. One of the OMC goals is to improve the size calculation used for optical data by developing an optical-based Size Estimation Model. The current size estimation requires applying a Lambertian phase function, a set albedo value, and range to the observed magnitude. The first step to improving the sampled brightness of laboratory targets is to remove aspect-angle dependencies. Then, the volume of possible object viewing angles is sampled at 21 combinations of azimuth and elevation angles for each solar phase angle. Finally, the acquired images are input into an image processing program that generates approximations for the object’s Bidirectional Reflectance Distribution Function (BRDF) and phase function. The BRDF is a radiometric concept that identifies an object’s material composition by matching a BRDF approximated with photometric data collected by ground-based telescopes with a BRDF generated experimentally from a known object in the laboratory. This paper presents the initial BRDF and phase function approximations for various fragments/targets acquired in the OMC and how the findings will be incorporated into ODPO models. A Lambertian sphere is used as a baseline for initial size estimation calculations and phase function comparisons. Spacecraft materials and fragments from hypervelocity laboratory impact tests are also presented to compare against the current assumed Lambertian phase function used for size estimates. This paper presents the preliminary phase function analysis and plan forward to utilize a laboratory-based phase function to improve the current optical size estimates using BRDF measurements for a large volume of targets composed of various shapes, sizes, and materials.

Hostetler, J.↗
NASA NTRSDate not supplied

Functional Volume Assessment of an Early Version of the Mars Transit Habitat

During the summer of 2020, the NASA Mars Architecture Team (MAT) conducted a functional volume assessment of the Transit Habitat (TH). The TH has evolved substantially since that time and the current TH does not share the same internal configuration, but the insights gained from the assessment remain relevant. In virtually all architectures involving chemical, electric, or nuclear propulsion, the majority of the crew mission is spent aboard the TH. The Earth to Mars transit durations may vary from architecture to architecture, but all are on the order of hundreds of days, regardless of whether an opposition or conjunction class trajectory is selected, and regardless of whether the propulsion system is chemical, electric, or nuclear. Thus, the TH must provide capabilities appropriate to a very long duration. So, despite significant changes in the current Mars architecture over the past few years, this evaluation still provides useful recommendations in the form of habitability guidance that can be applied to current and future TH concepts. This assessment had six primary objectives: provide a sanity check to the BOC-derived TH layout; understand if we can fit the hardware and functional tasks in the volume; provide a high-level assessment of how aggressive the layout is; generate a list of challenges or assumptions necessary to make it work; generate a list of future work to refine understanding; and identify proposed requirements. All of this information is critical to drive habitat sizing studies and key architecture decisions. It was clear that a human-in-the-loop (HITL) evaluation of some kind would be necessary, but several challenges were immediately identified. The most information could be gleaned from a Desert Research and Technology Studies (DRATS) type of mission operations test (MOT), but the TH concept was too low fidelity to construct the type of prototype necessary to conduct a MOT, nor were their financial resources to do so. The next best option – and really the one most appropriate for the BOC’s stage of maturity – is a Virtual Reality (VR) walk-through evaluation. However, NASA was in a shutdown state due to the COVID-19 pandemic and the VR labs were inaccessible. As a result, a tabletop evaluation was created, using .jpg imagery from the ECM CAD model along with Excel-based datasheets. High-level crew living and working functions within the habitat were identified for evaluation. Questionnaires using Likert scales assessed acceptability of habitat functions and sim quality – the degree to which the function was represented in CAD. This enabled the evaluation to be conducted by personnel working remotely. Each function was evaluated individually along with several overarching habitability parameters and vehicle subsystems. The results of this evaluation are discussed, including methodological challenges and rating challenges. Acceptability results are discussed for functions that the participants were able to rate and participant comments for functions that could not be related are also described. Final conclusions are described, including challenges or assumptions needed to make the TH design acceptable, future work needed to refine understanding of the TH, and proposed habitat requirements based on test data.

Transit Habitat↗
NASA NTRS2021

Learning spatial response functions from large multi-sensor AIRS and MODIS datasets

We use large datasets from the Atmospheric Infrared Sounder (AIRS) and the Moderate Resolution Imaging Spectroradiometer (MODIS) to derive AIRS spatial response functions and study their potential variations over the mission. The new reconstructed spatial response functions can be used to reduce errors in the radiances in non-uniform scenes and improve products generated using both AIRS and MODIS data. AIRS spatial response functions are distinct for each of its 2378 channels and each of its 90 scan angles. We develop the mathematical model and the optimization framework for deriving spatial response functions for two AIRS channels with low water vapor absorption and various scan angles. We quantify uncertainties in the derived reconstructions and study how they differ from pre-flight spatial response functions. We show that our approach generates reconstructions that agree with the data more accurately compared to pre-flight spatial responses. We derive spatial response functions using data collected during successive dates in order to ascertain the repeatability of the reconstructed spatial response functions. We also compare the derived spatial response functions based on data collected in the beginning, the middle, and at the current state of the mission in order to study changes in reconstructions over time.

Vese, Luminita↗
DOE OSTI2025

Noncollinear ground states of solids with a source-free exchange correlation functional

In this paper, we expand upon the source-free (SF) exchange correlation (XC) functional developed by Sangeeta Sharma and coworkers to plane-wave density functional theory (DFT) based on the projector augmented wave (PAW) method. This constraint is implemented by the current authors within the VASP source code, using a fast Poisson solver that capitalizes on the parallel three-dimensional fast Fourier transforms (FFTs) implemented in VASP. Using this modified XC functional, we explore the improved convergence behavior that results from applying this constraint to the GGA-PBE+U+J functional. In the process, we compare the noncollinear magnetic ground state computed by each functional and their SF counterpart for a select number of magnetic materials in order to provide a metric for comparing with experimentally determined magnetic orderings. We observe significantly improved agreement with experimentally measured magnetic ground-state structures after applying the source-free constraint. Furthermore, we explore the importance of considering probability current densities in spin-polarized systems, even under no applied field. We analyze the XC torque as well, in order to provide theoretical and computational analyses of the net XC magnetic torque induced by the source-free constraint. Along these lines, we highlight the importance of properly considering the real-space integral of the source-free local magnetic XC field. Our analyses on probability currents, net torque, and constant terms draw additional links to the rich body of previous research on spin-current density functional theory (SCDFT), and pave the way for future extensions and corrections to the SF corrected XC functional.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Improved loss functions for machine-learned atomic potentials

Machine learning (ML) has become an invaluable tool across a wide array of domains in science as researchers find new ways to leverage its predictive power. This is especially true in chemistry, where ML is used to fit chemical properties or desirable attributes to the local structure of molecules and materials. In the pursuit of greater accuracy, it is relatively simple to increase the size or complexity of such models, although this often requires simultaneously seeking larger datasets in order to both fit and interpret the larger number of parameters. However, it is equally important to assess the quality and relative importance of the data and how these factors impact the training process. We, therefore, investigate the impact of using different loss functions for training neural network potentials (NNPs), as the loss function defines the error and parameter gradients used to train the NNP. In particular, we test the mean-squared error and Huber loss functions and, using insight from these functions, derive a new loss function based on the Asinh function, which yields significant improvement in the accuracy and generality of NNPs. We show that by discounting/minimizing errors and anomalies in the optimization process, both the Huber and Asinh loss functions improve the training of NNPs, leading to a final potential with a greater effective dimensionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Finite-range pairing in nuclear density functional theory

Pairing correlations are ubiquitous in low-energy states of atomic nuclei. To incorporate them within nuclear density functional theory, often used for global computations of nuclear properties, pairing functionals that generate nucleonic pair densities and pairing fields are introduced. Many pairing functionals currently used can be traced back to zero-range nucleon-nucleon interactions. Unfortunately, such functionals are plagued by deficiencies that become apparent in large model spaces that contain unbound single-particle (continuum) states. In particular, the underlying computational schemes diverge as the single-particle space increases, and the results depend on how marginally occupied states are incorporated. These problems become more pronounced for pairing functionals that contain gradient-density dependence, such as in the Fayans functional. To remedy this, finite-range pairing functionals are introduced. In this study, this is done by folding the pair density with Gaussians. Here, we show that a folding radius of about 1 fm offers the best compromise between quality and stability, and substantially reduces the pathological behavior in different numerical applications.

Nuclear density functional theory↗
DOE OSTI2025

Explainable Machine Learning for Functional Data

Black-box machine learning models are recognized as useful tools for prediction applications, but the algorithmic complexity of some models causes interpretation challenges. Explainability methods have been proposed to provide insight into these models, but there is little research focused on supervised modeling with functional data inputs. We argue that, especially in applications of high consequence, it is important to explicitly model the functional dependence in a black-box analysis to not obscure or misrepresent patterns in explanations. As such, we propose the V ariable importance E xplainable E lastic S hape A nalysis (VEESA) pipeline for training supervised machine learning models with functional inputs. The pipeline is an analysis process that includes the data preprocessing, modeling, and post-hoc explanations. The preprocessing is done using elastic functional principal components analysis, which accounts for vertical and horizontal variability in functional data and, ultimately, allows for explanations in the original data space that identify the important functional variability without bias due to correlated variables. Here, we demonstrate the pipeline on two high-consequence applications: explosives classification for national security and inkjet printer identification in forensic science. The applications exhibit the VEESA pipeline’s ability to provide an understanding of the characteristics of the functional data useful for prediction. Code for implementing the pipeline is available in the veesa R package (and supplemental python code).

Elastic Shape Analysis↗
NASA NTRS1987

Vestibulo-ocular and vestibulospinal function before and after cochlear implant surgery

Vestibular function in cochlear implant candidates varies from normal to total absence of function. In patients with intact vestibular function preoperatively, invasion of the otic capsule places residual vestibular function at risk. Speech-processing strategies that result in large amplitude electrical transients or strategies that employ high amplitude broad frequency carrier signals have the potential for disrupting vestibular function. Five patients were tested with and without electrical stimulation via cochlear electrodes. Two patients experienced subjective vestibular effects that were quickly resolved. No long-term vestibular effects were noted for the two types of second generation cochlear implants evaluated. Histopathological findings from another patient, who had electrically generated vestibular reflex responses to intramodiolar electrodes, indicated that responses elicited were a function of several variables including electrode location, stimulus intensity, stimulus amplitude, and stimulus frequency. Differential auditory, vestibulocolic, and vestibulospinal reflexes were demonstrated from the same electrode as a function of stimulus amplitude, frequency, and duration.

Case Reports↗
NASA NTRS1996

What is the minimal vestibular function required for compensation?

Living with an uncompensated, abnormal vestibular system requires oppressive modification of life style and often prevents return to work and activities of daily living. Patients with vestibular abnormalities were studied to determine the minimal residual vestibular function required to achieve compensation. Three groups of patients with (a) complete unilateral loss of vestibular function with normal horizontal canal-vestibulo-ocular (HCVOR) function in the opposite ear, (b) complete unilateral loss with abnormal HCVOR function in the opposite ear, and (c) bilateral reduction of vestibular function from aminoglycoside toxicity underwent vestibuloocular (VOR), optokinetic (OKN), visual-VOR (VVOR), and computerized dynamic posturography (CDP) tests before and after therapeutic procedures. Results suggest that a minimal VOR response amplitude must be present for compensation of VVOR function to occur. The roles of VOR and OKN phase shifts in vestibular compensation are more complicated and require further study. Compensation of vestibulospinal function does not necessarily accompany VOR or VVOR compensation. Ascending and descending vestibular compensatory mechanisms may involve different spatial sensory inputs. Results of these studies have important implications for the diagnosis and treatment of patients with vestibular disorders, including selection and monitoring of patients for therapeutic regimens such as vestibular nerve section and streptomycin therapy.

Non-NASA Center↗
NASA NTRS2011

The Necessity of Functional Analysis for Space Exploration Programs

As NASA moves toward expanded commercial spaceflight within its human exploration capability, there is increased emphasis on how to allocate responsibilities between government and commercial organizations to achieve coordinated program objectives. The practice of program-level functional analysis offers an opportunity for improved understanding of collaborative functions among heterogeneous partners. Functional analysis is contrasted with the physical analysis more commonly done at the program level, and is shown to provide theoretical performance, risk, and safety advantages beneficial to a government-commercial partnership. Performance advantages include faster convergence to acceptable system solutions; discovery of superior solutions with higher commonality, greater simplicity and greater parallelism by substituting functional for physical redundancy to achieve robustness and safety goals; and greater organizational cohesion around program objectives. Risk advantages include avoidance of rework by revelation of some kinds of architectural and contractual mismatches before systems are specified, designed, constructed, or integrated; avoidance of cost and schedule growth by more complete and precise specifications of cost and schedule estimates; and higher likelihood of successful integration on the first try. Safety advantages include effective delineation of must-work and must-not-work functions for integrated hazard analysis, the ability to formally demonstrate completeness of safety analyses, and provably correct logic for certification of flight readiness. The key mechanism for realizing these benefits is the development of an inter-functional architecture at the program level, which reveals relationships between top-level system requirements that would otherwise be invisible using only a physical architecture. This paper describes the advantages and pitfalls of functional analysis as a means of coordinating the actions of large heterogeneous organizations for space exploration programs.

program management↗
NASA NTRSDate not supplied

Defining A Modelling Language to Support Functional Hazard Assessment

Functional Hazard Assessment (FHA) is a key early-stage engineering process that supports the incorporation of safety in design by identifying the high-level functional hazards the system may encounter. While many FHA-like methodologies have been proposed in the design engineering literature, many of these methodologies have had difficulty becoming accepted industry practice. Industry standards, on the other hand, either provide too little recommendation on how to represent the function of the system to perform FHA, or rely on existing design artefacts which insufficiently support the goals of the process. This paper presents some of the problems with current modeling languages (both proposed and used) for FHA which limit the scope, expressiveness, flexibility, and precision of the analysis. It then outlines desirable principles an FHA-supporting analysis language should embody, and introduces the Functional Reasoning Design Language (FRDL), a formal modeling language for describing the functional elements of a system and their interactions, which aims to satisfy these principles. To demonstrate the use of this language, the modeling and hazard analysis of a disaster response drone is presented. While this case study is limited in scope, it highlights how FRDL can represent system function while reducing the ambiguity present in typical FHA-supporting functional modeling languages

Hazard Assessment↗
DOE OSTI2024

D2NO: Efficient handling of heterogeneous input function spaces with distributed deep neural operators

Neural operators have been applied in various scientific fields, such as solving parametric partial differential equations, dynamical systems with control, and inverse problems. However, challenges arise when dealing with input functions that exhibit heterogeneous properties, requiring multiple sensors to handle functions with minimal regularity. To address this issue, discretization-invariant neural operators have been used, allowing the sampling of diverse input functions with different sensor locations. However, existing frameworks still require an equal number of sensors for all functions. We propose a novel distributed approach to further relax the discretization requirements and solve the heterogeneous dataset challenges. Our method involves partitioning the input function space and processing individual input functions using independent and separate neural networks. A centralized neural network is used to handle shared information across all output functions. This distributed methodology reduces the number of gradient descent back-propagation steps, improving efficiency while maintaining accuracy. Here, we demonstrate that the corresponding neural network is a universal approximator of continuous nonlinear operators and present three numerical examples to validate its performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

FunDiff: diffusion models over function spaces for physics-informed generative modeling

Recent advances in generative modeling-particularly diffusion models and flow matching-have been widely used for synthesizing discrete data such as images and videos. However, adapting these models to physical applications remains challenging, as the quantities of interest are continuous functions governed by complex physical laws. To address this, we introduce FunDiff, an efficient and robust framework for generative modeling in function spaces. FunDiff combines a latent diffusion process with a function autoencoder architecture to handle input functions with varying discretizations, generates continuous functions that can be evaluated at arbitrary locations, and seamlessly incorporate physical priors. These priors are enforced through architectural constraints or physics-informed loss functions, ensuring that generated samples satisfy fundamental physical laws. We theoretically establish minimax optimality guarantees for density estimation in function spaces, demonstrating that diffusion-based estimators achieve optimal convergence rates under suitable regularity conditions. We further demonstrate the practical effectiveness of FunDiff across diverse applications in fluid dynamics and solid mechanics. Empirical results indicate that our method can generate physically consistent samples with high fidelity to the target distribution, and exhibit robustness to noisy and low-resolution data.

Wang, Sifan [Yale University, New Haven, CT (Unite↗
DOE OSTI2024

Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green’s functions

In this paper, we analyze the properties of the recently proposed real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green’s function approach [Rehr et al., J. Chem. Phys. 152, 174113 (2020)]. We specifically focus on identifying the limitations of the original time-dependent coupled cluster (TDCC) ansatz and propose an enhanced double TDCC ansatz, ensuring the exactness in the expansion limit. In addition, we introduce a practical cluster-analysis-based approach for characterizing the peaks in the computed spectral function from the RT-EOM-CC cumulant Green’s function approach, which is particularly useful for the assignments of satellite peaks when many-body effects dominate the spectra. Our preliminary numerical tests focus on reproducing, approximating, and characterizing the exact impurity Green’s function of the three-site and four-site single impurity Anderson models using the RT-EOM-CC cumulant Green’s function approach. The numerical tests allow us to have a direct comparison between the RT-EOM-CC cumulant Green’s function approach and other Green’s function approaches in the numerical exact limit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Estradiol associations with brain functional connectivity in postmenopausal women

Abstract Objective Previous studies have found that estrogens play a role in functional connectivity in the brain; however, little research has been done regarding how estradiol is associated with functional connectivity in postmenopausal women. The purpose of this study was to examine the relationship between estradiol and functional connectivity in postmenopausal women. Methods Structural and blood oxygenation level–dependent resting-state magnetic resonance imaging scans of 88 cognitively healthy postmenopausal individuals were obtained along with blood samples collected the same day as the magnetic resonance imaging to assess hormone levels. We generated connectivity values in CONN toolbox version 20.b, an SPM-based software. Results A regression analysis was run using estradiol level and regions of interest (ROI), including the hippocampus, parahippocampus, dorsolateral prefrontal cortex, and precuneus. Estradiol level was found to enhance parahippocampal gyrus anterior division left functional connectivity during ROI-to-ROI regression analysis. Estradiol enhanced functional connectivity between the parahippocampal gyrus anterior division left and the precuneus as well as the parahippocampal gyrus anterior division left and parahippocampal gyrus posterior division right. An exploratory analysis showed that years since the final menstrual period was related to enhanced connectivity between regions within the frontoparietal network. Conclusions These results illustrated the relationship between estradiol level and functional connectivity in postmenopausal women. They have implications for understanding how the functioning of the brain changes for individuals after menopause that may eventually lead to changes in cognition and behavior in older ages.

Obstetrics & Gynecology↗
DOE OSTI2024

Mixed-species charge and baryon balance functions studies with PYTHIA

Mixed species charge and baryon balance functions are computed based on proton-proton ( p p ) collisions simulated with the PYTHIA8 model. Simulations are performed with selected values of the collision energy s and the Monash tune and the ropes and shoving modes of PYTHIA8 to explore whether such measurements provide useful new information and constraints on mechanisms of particle production in p p collisions. Charge balance functions are studied based on mixed pairs of pions, kaons, and protons, whereas baryon balance functions are computed for mixed low mass strange and nonstrange baryons. Both charge and baryon balance functions of mixed particle pairs feature shapes and amplitudes that sensitively depend on the particle considered owing largely to the particle production mechanisms implemented in PYTHIA. The evolution of balance functions integrals with the longitudinal width of the acceptance are presented and one finds that sums of such integrals for a given reference particle obey expected sum rules for both charge and baryon balance functions. Additionally, both types of balance functions are found to evolve in shape and amplitude with increasing collision energy s and the PYTHIA tunes considered. Published by the American Physical Society 2024

Physics↗
DOE OSTI2025

Learning local and semi-local density functionals from exact exchange-correlation potentials and energies

Finding accurate exchange-correlation (XC) functionals remains the defining challenge in density functional theory (DFT). Despite 40 years of active development, attaining general purpose chemical accuracy is still elusive with existing functionals. We present a data-driven pathway to learn the XC functional by using the exact density, XC energy, and XC potential. While the exact densities are obtained from accurate configuration interaction (CI), the exact XC energies and XC potentials are obtained via inverse DFT calculations on the CI densities. We demonstrate how simple neural network (NN)–based local density approximation (LDA) and generalized gradient approximation (GGA), trained on just five atoms and two molecules, provide remarkable improvement in total energies and densities. Particularly, the NN-based GGA functional attains similar accuracy as the higher rung SCAN meta-GGA on various thermochemistry datasets. These results underscore the promise of using the XC potential in modeling XC functionals and can pave the way for systematic learning of increasingly accurate XC functionals.

Science & Technology - Other Topics↗
DOE OSTI2025

Measurements of differential two-particle number and transverse momentum correlation functions in pp collisions at $\sqrt{\textit{s}}$ = 13 TeV

Differential two-particle normalized cumulants (R 2 ) and transverse momentum correlations (P 2 ) are measured as a function of the relative pseudorapidity and azimuthal angle difference (Δη, Δφ) of charged particle pairs in minimum bias pp collisions at $\sqrt{s}$ = 13 TeV. The measurements use charged hadrons in the pseudorapidity region of |η| < 0.8 and the transverse momentum range 0.2 < p T < 2.0 in order to focus on soft multiparticle interactions and to complement prior measurements of these correlation functions in p–Pb and Pb–Pb collisions. The correlation functions are reported for both unlike-sign and like-sign pairs and their charge-independent and charge-dependent combinations. Both the R 2 and P 2 measured in pp collisions exhibit features qualitatively similar to those observed in p–Pb and Pb–Pb collisions. The Δη and Δφ root mean square widths of the near-side peak of the correlation functions are evaluated and compared with those observed in p–Pb and Pb–Pb collisions and show smooth evolution with the multiplicity of charged particles produced in the collision. The comparison of the measured correlation functions with predictions from PYTHIA8 shows that this model qualitatively captures their basic structure and characteristics but feature important differences. In addition, the R$^{CD}_{2}$ is used to determine the charge balance function of hadrons produced within the detector acceptance of the measurements. The integral of the balance function is found to be compatible with those reported by a previous measurement in Pb–Pb collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗