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All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

A preliminary harmonic spline model from Magsat data

A preliminary main field model for 1980 derived from a carefully selected subset of Magsat vector measurements, using the method of harmonic splines, is presented. This model (PHS /80/) for preliminary harmonic splines is the smoothest model (in the sense that the rms radial field at the core surface is minimum) consistent with the measurements (with an rms misfit of 10 nT to account for crustal and external fields as well as noise in the measurement procedure). Therefore PHS (80) is more suitable for studies of the core than models derived with the traditional least squares approach (e.g., GSFC /9/80/). A comparison is conducted of the characteristics of the harmonic spline spectrum, topology of the core field and especially the null-flux curves (loci where the radial field is zero) and the flux through patches bounded by such curves. PHS (80) is less complex than GSFC (9/80) and is therefore more representative of that part of the core field that the data constrain.

Shure, L.↗
NASA NTRS1989

Improved Monte Carlo turbulence simulation for Shuttle reentry studies

A turbulence model for Space Shuttle reentry simulation is presented, which may be used to improve redline selection. It is suggested that the turbulence model in current use is overly conservative because it assumes severe turbulence from reentry altitude to the earth's surface. Two improved versions of the turbulence simulation equations are presented. These are third and fifth order approximations to the von Karman spectrum. The equations are in a form suitable for digital simulation. Both sets of equations can be used to generate a probability distribution of fuel remaining at landing.

Campbell, C. Warren↗
NASA NTRS1999

Benefit Estimates of Terminal Area Productivity Program Technologies

This report documents benefit analyses for the NASA Terminal Area Technology (TAP) technology programs. Benefits are based on reductions in arrival delays at ten major airports over the 10 years from 2006 through 2015. Detailed analytic airport capacity and delay models were constructed to produce the estimates. The goal of TAP is enable good weather operations tempos in all weather conditions. The TAP program includes technologies to measure and predict runway occupancy times, reduce runway occupancy times in bad weather, accurately predict wake vortex hazards, and couple controller automation with aircraft flight management systems. The report presents and discusses the estimate results and describes the models. Three appendixes document the model algorithms and discuss the input parameters selected for the TAP technologies. The fourth appendix is the user's guide for the models. The results indicate that the combined benefits for all TAP technologies at all 10 airports range from $550 to $650 million per year (in constant 1997 dollars). Additional benefits will accrue from reductions in departure delays. Departure delay benefits are calculated by the current models.

Hemm, Robert↗
DOE OSTI2023

An adaptive synchronous extraction (ASE) method for estimating intensity and footprint of surface urban heat islands: A case study of 254 North American cities

The urban heat island (UHI) effect has attracted great attention due to its potential impacts on rapidly growing urban areas. Using remotely sensed estimates of land surface temperature (LST), a large number of studies have focused on the surface UHI (SUHI) effect, which can be characterized by its two fundamental properties: intensity and footprint. The SUHI intensity reflects the LST difference between the urban area and the background reference area (BRA), and the SUHI footprint indicates the spatial extent influenced by the heat island. Currently, numerous methods have been developed to estimate the SUHI intensity and footprint, but are still greatly challenged by three main issues. Namely, the discrepancy in BRA selection criterion brings great uncertainty to the estimated SUHI intensity, the estimation of SUHI footprint is largely constrained by the predefined models, and the quantification of SUHI effect is potentially influenced by several confounding factors. Here, we proposed an adaptive synchronous extraction (ASE) method, which is capable of adaptively selecting the most optimal BRA while removing the influence of confounding factors, and achieving synchronous estimation of SUHI intensity and footprint. We applied the ASE method to 254 North American cities and conducted an in-depth comparative analysis to discuss its applicability and benefits. The main results include: (1) The ASE method avoids the limitations of existing methods in BRA selection and model presetting, and shows resilience to parameter variations. This makes the ASE method highly applicable to quantify the SUHI intensity and footprint in cities with various thermal characteristics. (2) The ASE method can better highlight the spatial, seasonal and day-night contrasts in the estimated SUHI intensity. This superiority is particularly evident when comparing it to methods based on the equal-area buffer or the simplified urban-extent algorithm. (3) Confounding factors pose non-negligible impacts on the quantification of the SUHI effect. Typically, ignoring the influence of topographic relief or missing LST data can lead to an overall overestimation of the SUHI intensity, while not removing surrounding urban areas will cause some underestimation of the SUHI intensity. In conclusion, overall, the proposed ASE method provides a new generalizable tool for quantifying the SUHI effect, which has great potentials for future studies and urban climate assessments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Similarity Metric for Data Optimization and Efficient Training of Reactive Machine Learning Force Fields for Hydrocarbon Radiolysis

Radiolysis is a common approach to sterilize polymers, chemically modify them for upcycling, and accelerate their decomposition for recycling purposes. Reactive molecular dynamics (MD) simulations provide a powerful tool to generate atomic-level trajectories of the reactive processes and quantify radiolytic chemical degradation pathways. For this, machine learning (ML) surrogate models for reactive force fields with quantum mechanical accuracy are now widely used, which require ML training data sets that can provide information on atomic environments for target chemical systems. However, radiolysis chemistry can be highly complex and diverse, which poses significant challenges for generating training data to parametrize ML models. In this regard, we developed a method for optimizing the training data set using a cosine similarity metric to help guide training set selection for radiolysis of polyethylene, a model hydrocarbon polymer, as well as to enhance the transferability of our reactive ML force field (MLFF) to a variety of molecular and polymeric systems. Our approach performs atom-by-atom comparisons between local atomic environments to pinpoint important data points associated with rare and localized events, such as radiolysis damage within structures. We apply this approach to train the Chebyshev Interaction Model for Efficient Simulation (ChIMES) MLFF model, which expresses the atomic interaction potentials in terms of linear combinations of many-body Chebyshev polynomials. We first show that our method can reduce our training set size by ∼70% while improving overall accuracy compared to more standard MD model fitting approaches. We then validate our optimum model against diverse hydrocarbon simulation data, including simple alkanes and systems with unsaturated carbon bonds, over a wide range of thermodynamic conditions. Finally, we use our ChIMES model to perform MD simulations of radiolytic damage with large-scale systems that help avoid system size effects. Overall, our approach yields an MD force field that retains most of the accuracy of the underlying quantum method while yielding many orders of improvement in computational efficiency. In conclusion, our efforts will have impact on future hydrocarbon polymer radiolysis studies, where the chemical details of the polymer–radiation interactions can have a strong effect on the resulting products observed in experiments.

Hydrocarbons↗
DOE OSTI2026

Thermal Management for a Novel Non-Heavy Rare-Earth Interior Permanent Magnet Machine

The work presents a thermal management solution for a novel non-heavy rare-earth permanent magnet machine being developed at Oak Ridge National Laboratory. The motor has been designed to minimize losses while maximizing performance for a range of speeds and power ratings. The novel motor design reduces rare-earth magnet usage, thereby avoiding supply chain issues. The motor component heat losses are established for operating windows and desired performance. These heat losses, along with windage losses, are being used to develop cooling solutions for different components of this machine. A novel thermal management solution for stators and rotors has been developed, and progress is presented in this paper. The stator cooling is achieved with the help of water-ethylene glycol flowing over the finned aluminum stator jacket, and rotor cooling with automatic transmission fluid passing through novel channels designed in the rotor laminations. The attempt is to establish effective cooling of the stator winding, laminations, and rotor magnets. A 3D conjugate heat transfer model has been developed for overall thermal analysis to establish a down- selected thermal management solution for the machine. The model, in addition to estimated component heat losses, includes windage losses and its impact on rotor and stator cooling. Overall, the work presents a workable thermal solution for the interior permanent magnet machine with potential for further improvements. Future work will involve establishing end winding and refinement of other end parts of the machine with the aim of establishing a robust thermal management solution. The work will also focus on different shapes (e.g., round, non-round, presence of wedges) of rotor-stator gaps and investigate windage losses and their impact on thermal management for higher rotational speeds for the machine.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

On the minimum number of radiation field parameters to specify gas cooling and heating functions

Fast and accurate approximations of gas cooling and heating functions are needed for hydrodynamic galaxy simulations. We use machine learning to analyze atomic gas cooling and heating functions in the presence of a generalized incident local radiation field computed by Cloudy. We characterize the radiation field through binned radiation field intensities instead of the photoionization rates used in our previous work. We find a set of 6 energy bins whose intensities exhibit relatively low correlation. We use these bins as features to train machine learning models to predict Cloudy cooling and heating functions at fixed metallicity. We compare the relative SHapley Additive exPlanation (SHAP) value importance of the features. From the SHAP analysis, we identify a feature subset of 3 energy bins (0.5-1, 1-4, and 13-16Ry) with the largest importance and train additional models on this subset. We compare the mean squared errors and distribution of errors on both the entire training data table and a randomly selected 20% test set withheld from model training. The machine learning models trained with 3 and 6 bins, as well as 3 and 4 photoionization rates, have comparable accuracy everywhere, with errors ≳10 times smaller than for the interpolation table of Gnedin and Hollon (2012). We conclude that 3 energy bins (or 3 analogous photoionization rates: molecular hydrogen photodissociation, neutral hydrogen HI, and fully ionized carbon CVI) are sufficient to characterize the dependence of the gas cooling and heating functions on our assumed incident radiation field model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

On the minimum number of radiation field parameters to specify gas cooling and heating functions

Fast and accurate approximations of gas cooling and heating functions are needed for hydrodynamic galaxy simulations. We use machine learning to analyze atomic gas cooling and heating functions computed by Cloudy in the presence of a generalized incident local radiation field. We characterize the radiation field through binned radiation field intensities instead of the photoionization rates used in our previous work. We find a set of 6 energy bins whose intensities exhibit relatively low correlation. We use these bins as features to train machine learning models to predict Cloudy cooling and heating functions at fixed metallicity. We compare the relative SHapley Additive exPlanation (SHAP) value importance of the features. From the SHAP analysis, we identify a feature subset of 3 energy bins ($0.5-1, 1-4$, and $13-16 \, \mathrm{Ry}$) with the largest importance and train additional models on this subset. We compare the mean squared errors and distribution of errors on both the entire training data table and a randomly selected 20% test set withheld from model training. The machine learning models trained with 3 and 6 bins, as well as 3 and 4 photoionization rates, have comparable accuracy everywhere, with errors $\gtrsim 10$ times smaller than for the interpolation table of Gnedin and Hollon (2012). We conclude that 3 energy bins (or 3 analogous photoionization rates: molecular hydrogen photodissociation, neutral hydrogen HI, and fully ionized carbon CVI) are sufficient to characterize the dependence of the gas cooling and heating functions on our assumed incident radiation field model.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Investigation of lightweight designs and materials for LO2 and LH2 propellant tanks for space vehicles, phase 2 and phase 3

Full size Tug LO2 and LH2 tank configurations were defined, based on selected tank geometries. These configurations were then locally modeled for computer stress analysis. A large subscale test tank, representing the selected Tug LO2 tank, was designed and analyzed. This tank was fabricated using procedures which represented production operations. An evaluation test program was outlined and a test procedure defined. The necessary test hardware was also fabricated.

Source record↗
DOE OSTI2026

Selective Amnesia using Contrastive Subnet Erasure for Class Level Unlearning in Vision Models

We study concept-level forgetting in pretrained vision models: removing an entire semantic category so the system no longer recognizes that object in unseen images and contexts, rather than merely forgetting specific training examples. Prior work either applies blunt global projections or fine-tunes parameters, which can introduce collateral damage to unrelated features, add compute, and become unstable as forgetting strength increases. We introduce Contrastive Subnet Erasure (CSE), a training-free, encoder-centric edit that targets a compact set of channels most responsible for the class and attenuates them in a calibrated manner. The modification is algebraically folded into the subsequent layer, yielding no inference-time overhead and leaving task heads unchanged. To evaluate whether forgetting generalizes beyond the data used to specify the class, we introduce a cross dataset protocol in which the class is defined on a source dataset and performance is measured on a disjoint target dataset drawn from a different distribution with no shared images. This setup tests whether the model still fails to recognize the object when it looks different or appears in new scenes, and it helps avoid overfitting to patterns in the source dataset. Across CIFAR 10, CIFAR 100, and ImageNet under this protocol, CSE achieves stronger forgetting of the target class while better preserving non target utility than existing baselines in both single class and multi class settings. Overall, CSE provides a simple, stable, and deployment-ready mechanism for class-level unlearning in vision.

Kotevska, Olivera [ORNL] (ORCID:0000000316772243)↗
NASA NTRS1992

A demonstration of an intelligent control system for a reusable rocket engine

An Intelligent Control System for reusable rocket engines is under development at NASA Lewis Research Center. The primary objective is to extend the useful life of a reusable rocket propulsion system while minimizing between flight maintenance and maximizing engine life and performance through improved control and monitoring algorithms and additional sensing and actuation. This paper describes current progress towards proof-of-concept of an Intelligent Control System for the Space Shuttle Main Engine. A subset of identifiable and accommodatable engine failure modes is selected for preliminary demonstration. Failure models are developed retaining only first order effects and included in a simplified nonlinear simulation of the rocket engine for analysis under closed loop control. The engine level coordinator acts as an interface between the diagnostic and control systems, and translates thrust and mixture ratio commands dictated by mission requirements, and engine status (health) into engine operational strategies carried out by a multivariable control. Control reconfiguration achieves fault tolerance if the nominal (healthy engine) control cannot. Each of the aforementioned functionalities is discussed in the context of an example to illustrate the operation of the system in the context of a representative failure. A graphical user interface allows the researcher to monitor the Intelligent Control System and engine performance under various failure modes selected for demonstration.

Musgrave, Jeffrey L.↗
NASA NTRS2017

Thermal Design for Extra-Terrestrial Regenerative Fuel Cell System

The Advanced Exploration Systems (AES) Advanced Modular Power Systems (AMPS) Project is investigating different power systems for various lunar and Martian mission concepts. The AMPS Fuel Cell (FC) team has created two system-level models to evaluate the performance of regenerative fuel cell (RFC) systems employing different fuel cell chemistries. Proton Exchange Membrane fuel cells PEMFCs contain a polymer electrolyte membrane that separates the hydrogen and oxygen cavities and conducts hydrogen cations (protons) across the cell. Solid Oxide fuel cells (SOFCs) operate at high temperatures, using a zirconia-based solid ceramic electrolyte to conduct oxygen anions across the cell. The purpose of the modeling effort is to down select one fuel cell chemistry for a more detailed design effort. Figures of merit include the system mass, volume, round trip efficiency, and electrolyzer charge power required. PEMFCs operate at around 60 C versus SOFCs which operate at temperatures greater than 700 C. Due to the drastically different operating temperatures of the two chemistries the thermal control systems (TCS) differ. The PEM TCS is less complex and is characterized by a single pump cooling loop that uses deionized water coolant and rejects heat generated by the system to the environment via a radiator. The solid oxide TCS has its own unique challenges including the requirement to reject high quality heat and to condense the steam produced in the reaction. This paper discusses the modeling of thermal control systems for an extraterrestrial RFC that utilizes either a PEM or solid oxide fuel cell.

thermal modeling↗
NASA NTRS2013

Parametric Thermal Soak Model for Earth Entry Vehicles

The analysis and design of an Earth Entry Vehicle (EEV) is multidisciplinary in nature, requiring the application many disciplines. An integrated tool called Multi Mission System Analysis for Planetary Entry Descent and Landing or M-SAPE is being developed as part of Entry Vehicle Technology project under In-Space Technology program. Integration of a multidisciplinary problem is a challenging task. Automation of the execution process and data transfer among disciplines can be accomplished to provide significant benefits. Thermal soak analysis and temperature predictions of various interior components of entry vehicle, including the impact foam and payload container are part of the solution that M-SAPE will offer to spacecraft designers. The present paper focuses on the thermal soak analysis of an entry vehicle design based on the Mars Sample Return entry vehicle geometry and discusses a technical approach to develop parametric models for thermal soak analysis that will be integrated into M-SAPE. One of the main objectives is to be able to identify the important parameters and to develop correlation coefficients so that, for a given trajectory, can estimate the peak payload temperature based on relevant trajectory parameters and vehicle geometry. The models are being developed for two primary thermal protection (TPS) materials: 1) carbon phenolic that was used for Galileo and Pioneer Venus probes and, 2) Phenolic Impregnated Carbon Ablator (PICA), TPS material for Mars Science Lab mission. Several representative trajectories were selected from a very large trade space to include in the thermal analysis in order to develop an effective parametric thermal soak model. The selected trajectories covered a wide range of heatload and heatflux combinations. Non-linear, fully transient, thermal finite element simulations were performed for the selected trajectories to generate the temperature histories at the interior of the vehicle. Figure 1 shows the finite element model that was used for the simulations. The results indicate that it takes several hours for the thermal energy to soak into the interior of the vehicle and achieve maximum payload temperatures. In addition, a strong correlation between the heatload and peak payload container temperature is observed that will help establishing the parametric thermal soak model.

Agrawal, Parul↗
NASA NTRS2017

Thermal System Modeling for Lunar and Martian Surface Regenerative Fuel Cell Systems

The Advanced Exploration Systems (AES) Advanced Modular Power Systems (AMPS) Project is investigating different power systems for various lunar and Martian mission concepts. The AMPS Fuel Cell (FC) team has created two system-level models to evaluate the performance of regenerative fuel cell (RFC) systems employing different fuel cell chemistries. Proton Exchange Membrane fuel cells PEMFCs contain a polymer electrolyte membrane that separates the hydrogen and oxygen cavities and conducts hydrogen cations (protons) across the cell. Solid Oxide fuel cells (SOFCs) operate at high temperatures, using a zirconia-based solid ceramic electrolyte to conduct oxygen anions across the cell. The purpose of the modeling effort is to down select one fuel cell chemistry for a more detailed design effort. Figures of merit include the system mass, volume, round trip efficiency, and electrolyzer charge power required. PEMFCs operate at around 60 degrees Celsius versus SOFCs which operate at temperatures greater than 700 degrees Celsius. Due to the drastically different operating temperatures of the two chemistries the thermal control systems (TCS) differ. The PEM TCS is less complex and is characterized by a single pump cooling loop that uses deionized water coolant and rejects heat generated by the system to the environment via a radiator. The solid oxide TCS has its own unique challenges including the requirement to reject high quality heat and to condense the steam produced in the reaction. This paper discusses the modeling of thermal control systems for an extraterrestrial RFC that utilizes either a PEM or solid oxide fuel cell.

thermal modeling↗
DOE OSTI2020

Prediction of Hydroxymethylfurfural Yield in Glucose Conversion through Investigation of Lewis Acid and Organic Solvent Effects

Hydroxymethylfurfural (HMF) is one of the important renewable platform compounds that can be obtained from biomass feedstocks through glucose conversion catalyzed by Brønsted and Lewis acids. However, it is challenging to enhance the HMF yield due to side reactions. In this study, a systematic approach combining theory and experiment was performed to investigate the influence of Lewis acids and organic solvents on the HMF yield. For the Lewis acid effect, a relationship between chemical hardness and experimental HMF yields was found in the rate-limiting step of glucose-to-fructose isomerization for six metal chlorides; HMF production was promoted when the metal chloride and a substrate had a similar chemical hardness. To study the organic solvent effect, a multivariate model was developed based on the insights gained from the mechanistic study of fructose dehydration, to predict HMF yields in a given water-organic cosolvent system. It showed a reliable accuracy in evaluating HMF yields with a mean absolute error (MAE) of 3.0% with respect to experimental HMF yields for 13 solvents, and also predicted HMF yields with a MAE of 10.7% for four new solvents. Chemical interpretation of the model revealed that it is desirable to use a solvent capable of stabilizing the carbocation intermediates with low proton transfer activity and high hydrogen bond basicity, to maximize the HMF yield. This multivariate model informs experimentalists about rational selection of solvents with very low computational costs needed to calculate only six variables for each solvent. It can be expanded to other catalytic systems such as heterogeneous Brønsted–Lewis bifunctional catalysts and enables optimization of reaction conditions to obtain other useful platform molecules through biomass conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Global High Resolution Crustal Magnetic Field at the Surface of the Moon from Low-Altitude Lunar Prospector Magnetic Gradient Data

We derived new vector gradients based models of crustal magnetic field at the lunar surface with data from the Lunar Prospector (LP) satellite using two model parameterization approaches: a global set of 35820 1° spaced (~30 km) equal area monopoles at 20 km below the surface (O’Brien and Parker, 1994; Olsen et al., 2017) and combined results of subsets of 100000 0.66° spaced monopoles at the same depth. We use the scheme of iteratively reweighted least-squares inversion to compute the initial model. Then the amplitudes of these monopoles are determined by minimizing the misfit to the components together with the global average of |Br| at the ellipsoid surface (i.e. applying a L1 model regularization of Br). In previous approaches using vector fields for modeling, we found that external field contamination leads to spurious anomalies in the downward continued field models even with stringent data selection criteria and ad-hoc noise removal techniques (e.g., satellite’s position in the Moon’s wake w.r.t. the solar wind and in the Earth’s magnetotail, internal/external dipoles fields removal, low-order polynomial removal, joint equivalent source cross-validation technique and visually removing remaining anomalous segments). On the other hand, with the use of gradients-only data (along-track first finite differences), we were able to completely bypass the ad-hoc techniques. Similar processing of Kaguya magnetic data, which have only higher altitude coverage over the most of the Moon except in the region of the South Pole–Aitken (SPA) basin, completely misses some of the anomalies seen in the Lunar Prospector data. The combined Lunar Prospector and Kaguya gradient-based models also severely degrade the derivation of the anomaly fields in many regions. Euler analysis of isolated anomaly features from the Reiner Gamma swirl suggests top depths of about 0.3 to 1.5 km and center depths of 10-14 km; in the region between Stein and Vallier craters north of the SPA basin our analysis suggests top depths of around 1.5 km and center depths of 13-15 km. With the spectral depth determination techniques, the SPA basin region yields depths to the base of magnetization ranging between 15 and 40 km. Three-dimensional modeling and the bulk magnetization determinations of the sources constrained by the Euler and spectral methods is underway.

Gradient↗
DOE OSTI2024

Learning epistatic polygenic phenotypes with Boolean interactions

Detecting epistatic drivers of human phenotypes is a considerable challenge. Traditional approaches use regression to sequentially test multiplicative interaction terms involving pairs of genetic variants. For higher-order interactions and genome-wide large-scale data, this strategy is computationally intractable. Moreover, multiplicative terms used in regression modeling may not capture the form of biological interactions. Building on the Predictability, Computability, Stability (PCS) framework, we introduce the epiTree pipeline to extract higher-order interactions from genomic data using tree-based models. The epiTree pipeline first selects a set of variants derived from tissue-specific estimates of gene expression. Next, it uses iterative random forests (iRF) to search training data for candidate Boolean interactions (pairwise and higher-order). We derive significance tests for interactions, based on a stabilized likelihood ratio test, by simulating Boolean tree-structured null (no epistasis) and alternative (epistasis) distributions on hold-out test data. Finally, our pipeline computes PCS epistasis p-values that probabilisticly quantify improvement in prediction accuracy via bootstrap sampling on the test set. We validate the epiTree pipeline in two case studies using data from the UK Biobank: predicting red hair and multiple sclerosis (MS). In the case of predicting red hair, epiTree recovers known epistatic interactions surrounding MC1R and novel interactions, representing non-linearities not captured by logistic regression models. In the case of predicting MS, a more complex phenotype than red hair, epiTree rankings prioritize novel interactions surrounding HLA-DRB1 , a variant previously associated with MS in several populations. Taken together, these results highlight the potential for epiTree rankings to help reduce the design space for follow up experiments.

59 BASIC BIOLOGICAL SCIENCES↗

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