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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Regularization via f -Divergence: An Application to Multi-Oxide Spectroscopic Analysis

In this paper, we explore the application of convolutional neural networks (CNNs) for predicting the chemical composition of complex geologic samples in a simulated Martian atmospheric environment. Specifically, we aim to characterize oxide weight percentages (wt.%) of rock samples analyzed by remote Laser-Induced Breakdown Spectroscopy (LIBS), framing the problem as a multi-target regression task . Neural networks trained on LIBS spectra are prone to overfitting due to high spectral complexity, limited labeled data, and measurement noise. While regularization is critical for improving generalization, common methods (e.g., ℓ 2 regularization) impose constraints not directly tied to data distribution properties. We propose a novel regularization method based on a specific ƒ-divergence induced by a graph-based estimator, designed to constrain the distributional discrepancy between predictions and targets. This regularizer serves a dual purpose: (a) mitigating overfitting by enforcing a constraint on the distributional difference between predictions and noisy targets, and (b) acting as an auxiliary loss that penalizes large divergences. To enable backpropagation, we develop a differentiable approximation of this particular ƒ-divergence, making the method feasible for neural networks. Experiments on ChemCam and SuperCam LIBS calibration spectra show that mathematical equation-divergence regularization outperforms or matches standard regularization methods (ℓ 1 , ℓ 2 , dropout) and the classical baseline, partial least squares (PLS). Combining ƒ-divergence regularization with standard regularization yields further performance gains, indicating that distributional regularization is useful in this context giving a promising direction for robust model training in planetary science applications. Source code is publicly available at Klein and Li (2025), https://doi.org/10.11578/dc.20250530.7.

58 GEOSCIENCES↗
DOE OSTI2021

Model fusion with physics-guided machine learning: Projection-based reduced-order modeling

The unprecedented amount of data generated from experiments, field observations, and large-scale numerical simulations at a wide range of spatiotemporal scales has enabled the rapid advancement of data-driven and especially deep learning models in the field of fluid mechanics. Although these methods are proven successful for many applications, there is a grand challenge of improving their generalizability. This is particularly essential when data-driven models are employed within outer-loop applications like optimization. In this work, we put forth a physics-guided machine learning (PGML) framework that leverages the interpretable physics-based model with a deep learning model. Leveraging a concatenated neural network design from multi-modal data sources, the PGML framework is capable of enhancing the generalizability of data-driven models and effectively protects against or inform about the inaccurate predictions resulting from extrapolation. We apply the PGML framework as a novel model fusion approach combining the physics-based Galerkin projection model and long- to short-term memory (LSTM) network for parametric model order reduction of fluid flows. We demonstrate the improved generalizability of the PGML framework against a purely data-driven approach through the injection of physics features into intermediate LSTM layers. Our quantitative analysis shows that the overall model uncertainty can be reduced through the PGML approach, especially for test data coming from a distribution different than the training data. Moreover, we demonstrate that our approach can be used as an inverse diagnostic tool providing a confidence score associated with models and observations. The proposed framework also allows for multi-fidelity computing by making use of low-fidelity models in the online deployment of quantified data-driven models.

42 ENGINEERING↗
DOE OSTI2022

Autoencoder Neural Network for chemically reacting systems

Incorporating detailed chemical kinetic models is critical for accurate simulations of reacting flows. However, detailed models involve a large number of thermochemical (TC) state variables. Solving the governing equations to evolve these TC variables becomes impractical for real-world applications. In this work, we propose an autoencoder (AE) neural network (NN)-based reduced model to accelerate such simulations. The AE NN is first trained to find a low-dimensional latent representation of the TC states. Then, the evolving state of a chemical system can be tracked by solving the equations of the latent variables instead of the original TC equations. We demonstrate the reduced model in a syngas CO/H 2 combustion system, using training data collected from canonical perfectly stirred reactors (PSRs). It is found that the AE model can reduce the dimension of the combustion system from 12 to 2 while maintaining low reconstruction error and excellent elemental mass conservation for the test dataset. In the a posteriori test, the combustion states obtained from solving the two latent equations are compared to those from solving the 12 equations of the full model. The AE reduced method is found to be able to capture the diverse combustion states on the top two branches of the S-curve well including the extinction turning point, but with higher prediction errors for states near the ignition turning point.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A machine-learning-aided data recovery approach for predicting multi-material thermal behaviors in advanced test reactor capsules

Instrumented experiments conducted at test reactors are essential to the deployment of new advanced reactor systems. Designing new experiments and generating data on specific reactor conditions require significant investments in terms of both time and cost. Finite element analysis software can be used to create high-fidelity models of experiment environments in order to support the actual experiments, but computation time remains a concern in terms of applying outcomes to real-time usage of data (e.g., a digital twin [DT]). Here, the present research proposes a machine-learning (ML) aided approach to making temperature and displacement predictions based on the thickness of the outer gas gap on the experimental capsule used for in-pile demonstration of a novel new thermal conductivity probe in the Advanced Test Reactor (ATR). This capsule consisted of U10Zr fuel, a rodlet, sodium, and inner and outer capsules. Gas gaps existed between the fuel and the rodlet, and between the inner and the outer capsule. The learning data pertained to an experimental capsule's radial distributions of temperature and displacement, as obtained based on Abaqus and the physical features. For the first step of ML sequence, the temperature was predicted using three positional parameters. Next, the displacement was predicted using seven additional parameters. Each physical feature was normalized in order to be both nondimensional and standardized. The temperature and displacement predictions showed good agreement with the simulation results in all cases involving interpolation and extrapolation. Furthermore, data similarity enhancement increased the similarity between the training and the target data, thereby increasing the predictive accuracy of the ML models. In certain extrapolation cases involving limited original ML model accuracy, data similarity enhancement and data recovery was able to somewhat improve this accuracy.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Equation-Free Coarse Control of Distributed Parameter Systems via Local Neural Operators

The control of high-dimensional distributed parameter systems (DPS) remains a challenge when explicit coarse-grained equations are unavailable. Classical equation-free (EF) approaches rely on fine-scale simulators treated as black-box timesteppers. However, repeated simulations for steady-state computation, linearization, and control design are often computationally prohibitive, or the microscopic timestepper may not even be available, leaving us with data as the only resource. We propose a data-driven alternative that uses local neural operators, trained on spatiotemporal microscopic/mesoscopic data, to obtain efficient short-time solution operators. These surrogates are employed within Krylov subspace methods to compute coarse steady and unsteady-states, while also providing Jacobian information in a matrix-free manner. Krylov-Arnoldi iterations then approximate the dominant eigenspectrum, yielding reduced models that capture the open-loop slow dynamics without explicit Jacobian assembly. Both discrete-time Linear Quadratic Regulator (dLQR) and pole-placement (PP) controllers are based on this reduced system and lifted back to the full nonlinear dynamics, thereby closing the feedback loop.

93B52, 93C20, 47N70, 65J15, 65M32, 68T07, 68T20, 6↗
DOE OSTI2024

Multi-Source Machine Learning and Thermoplastics Enhanced Aerostructure Manufacturing (mTEAM)

RTX Technology Research Center (RTRC), together with Collins Aerospace (Collins) and Oak Ridge National Laboratory (ORNL) has developed an Artificial Intelligence (AI) / Machine Learning (ML) guided solution to advance the manufacturing and assembly of high performance and lightweight thermoplastic composite (TPC) aerospace products. The solution aims to lower risk, cost and lead time for induction heating based welding and consolidation processes for TPC structure. The cost and lead time of part and material specific process development for induction welding (IW) and induction consolidation will be reduced by replacing traditional empirical methods with optimization methods that merge AI/ML and physics-based process simulations and process experiments with sensing and controls. TPC-IW process development is empirical in nature, and uncertainties in material & process behavior exist near & far from the induction coil. Physics-based simulations can be leveraged directly for process optimization but can be too computationally expensive to run in high fidelity and real time to do robust process optimization. The key impact of successful TPC induction consolidation and welding is cost & lead time reduction for part & material specific consolidation and welding recipes. This is an enabler for more rapid deployment of TPC structures via joining assembly, which can reduce energy & cost intensive usage of autoclaves & ovens. The solution aimed to advance the U.S. Department of Energy’s interests in using thermoplastics and automation in composite manufacturing for improvement of products for existing markets via increased production speeds, reduced costs, and lowered use of energy. Welded TPC structures can offer significant weight & energy savings for high-value commercial aerospace & industrial applications compared to metal & thermoset composite structures assembled by mechanical fastening and/or adhesive bonding. The project was organized into two Budget Periods. Budget Period 1 (BP1) was 15 months and its goal was to perform ML process optimization framework development & deployment on lab-coupon aerostructure components. A Go/No-Go Review was performed at the end of BP1 to verify fulfilment of key tasks & milestones to justify a Go Decision to move into the next Budget Period. Budget Period 2 (BP2) was 12 months and its goal was the deployment of the ML framework for ML process optimization of pilot industrial scale aerostructure components. The overall project aim was to develop & demonstrate ML-enhanced modeling framework that learns process-property mapping from multiple data sources at different fidelities. During BP1, the team accomplished key tasks & milestones to demonstrate the concept of multi-source ML for TPC aerostructure consolidation and assembly. First, the team completed documentation of induction based TPC heating requirements including baseline metrics to compare measured results against. Next the team completed demonstration of data generation from physics-based simulations for ML surrogate model generation and demonstrated the integration of physics-based simulation data into multi-source AI/ML algorithms. In parallel, the team established the lab-coupon scale induction welding system and completed a process to label and reduce generated data from physics-based simulation and experiments for ML surrogate models to enable multi-source ML model training & testing. To complete BP1, the team integrated physics-based simulation data and experimental data into multi-source ML algorithms. This was based on the team completing ML deployment of the induction welding on a lab system at RTRC and AI/ML deployment on existing induction welding line at Collins. ORNL visited both Collins and RTRC sites to witness the TPC induction welding process. Then, ORNL designed and constructed a new version of their vision-based sensing system better adapted to acquire process signals of the TPC induction welding process for process anomaly and defect detection. In BP2, the team accomplished key tasks & milestones to scale up multi-source ML for TPC aerostructure consolidation and assembly from the lab-coupon scale to the pilot-industrial scale. In BP2, the team demonstrated real time anomaly & defect detection via experiments performed by ORNL & RTRC. The team completed ML-optimization heating trials for TPC induction consolidation at Collins, and the team confirmed pilot industrial scale experimental data from Collins was compatible with the developed ML pipeline from RTRC. The team completed sub-element scale ML process optimization demonstration at RTRC, where the team leveraged RTRC’s robotic TPC welding setup to de-risk the ML process optimization by performing ML analysis of recorded temperatures to account for complex part features. Then, the team applied its ML-derived control strategies and ML process optimization framework at Collins to the pilot-industrial scale on a demo skin-stiffener part representative of a nacelle aerostructure fan cowl section. The key innovation is the AI/ML framework enabling effective process development of high performance, lightweight, energy efficient TPCs for composite aircraft structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

NANO.PTML model for read-across prediction of nanosystems in neurosciences. computational model and experimental case of study

Abstract Neurodegenerative diseases involve progressive neuronal death. Traditional treatments often struggle due to solubility, bioavailability, and crossing the Blood-Brain Barrier (BBB). Nanoparticles (NPs) in biomedical field are garnering growing attention as neurodegenerative disease drugs (NDDs) carrier to the central nervous system. Here, we introduced computational and experimental analysis. In the computational study, a specific IFPTML technique was used, which combined Information Fusion (IF) + Perturbation Theory (PT) + Machine Learning (ML) to select the most promising Nanoparticle Neuronal Disease Drug Delivery (N2D3) systems. For the application of IFPTML model in the nanoscience, NANO.PTML is used. IF-process was carried out between 4403 NDDs assays and 260 cytotoxicity NP assays conducting a dataset of 500,000 cases. The optimal IFPTML was the Decision Tree (DT) algorithm which shown satisfactory performance with specificity values of 96.4% and 96.2%, and sensitivity values of 79.3% and 75.7% in the training (375k/75%) and validation (125k/25%) set. Moreover, the DT model obtained Area Under Receiver Operating Characteristic (AUROC) scores of 0.97 and 0.96 in the training and validation series, highlighting its effectiveness in classification tasks. In the experimental part, two samples of NPs (Fe 3 O 4 _A and Fe 3 O 4 _B) were synthesized by thermal decomposition of an iron(III) oleate (FeOl) precursor and structurally characterized by different methods. Additionally, in order to make the as-synthesized hydrophobic NPs (Fe 3 O 4 _A and Fe 3 O 4 _B) soluble in water the amphiphilic CTAB (Cetyl Trimethyl Ammonium Bromide) molecule was employed. Therefore, to conduct a study with a wider range of NP system variants, an experimental illustrative simulation experiment was performed using the IFPTML-DT model. For this, a set of 500,000 prediction dataset was created. The outcome of this experiment highlighted certain NANO.PTML systems as promising candidates for further investigation. The NANO.PTML approach holds potential to accelerate experimental investigations and offer initial insights into various NP and NDDs compounds, serving as an efficient alternative to time-consuming trial-and-error procedures.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Modeling the Behavior of Complex Aqueous Electrolytes Using Machine Learning Interatomic Potentials: The Case of Sodium Sulfate

Understanding the structure and thermodynamics of solvated ions is essential for advancing applications in electrochemistry, water treatment, and energy storage. While ab initio molecular dynamics methods are highly accurate, they are limited by short accessible time and length scales whereas classical force fields struggle with accuracy. Herein, we explore the structure and thermodynamics of complex monovalent-divalent ion pairs using Na 2 SO 4 (aq) as a case study by applying a machine learning interatomic potential (MLIP) trained on density functional theory (DFT) data. Our MLIP-based approach reproduces key bulk properties such as density and radial distribution functions of water. We provide the hydration structure of the sodium and sulfate ions in the 0.1–2 M concentration range and the one-dimensional and two-dimensional potentials of mean force for the sodium–sulfate ion pairing at the low concentration limit (0.1 M), which are inaccessible to DFT. At low concentrations, the sulfate ion is strongly solvated, leading to the stabilization of solvent-separated ion pairs over contact ion pairs. Minimum energy pathway analysis revealed that coordinating two sodium ions with a sulfate ion is a multistep process whereby the sodium ions coordinate to the sulfate ion sequentially. Finally, we demonstrate that MLIPs allow the study of solvated ions beyond simple monovalent pairs with DFT-level accuracy in their low concentration limit (0.1 M) via statistically converged properties from ns-long simulations.

anions↗
DOE OSTI2016

Sequential experimental design based generalised ANOVA

Over the last decade, surrogate modelling technique has gained wide popularity in the field of uncertainty quantification, optimization, model exploration and sensitivity analysis. This approach relies on experimental design to generate training points and regression/interpolation for generating the surrogate. In this work, it is argued that conventional experimental design may render a surrogate model inefficient. In order to address this issue, this paper presents a novel distribution adaptive sequential experimental design (DA-SED). The proposed DA-SED has been coupled with a variant of generalised analysis of variance (G-ANOVA), developed by representing the component function using the generalised polynomial chaos expansion. Moreover, generalised analytical expressions for calculating the first two statistical moments of the response, which are utilized in predicting the probability of failure, have also been developed. The proposed approach has been utilized in predicting probability of failure of three structural mechanics problems. It is observed that the proposed approach yields accurate and computationally efficient estimate of the failure probability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Efficient mapping between void shapes and stress fields using Deep Convolutional Neural Networks with sparse data

Establishing fast and accurate structure-to-property relationships is an important component in the design and discovery of advanced materials. Physics-based simulation models like the finite element method (FEM) are often used to predict deformation, stress, and strain fields as a function of material microstructure in material and structural systems. Such models may be computationally expensive and time intensive if the underlying physics of the system is complex. This limits their application to solve inverse design problems and identify structures that maximize performance. In such scenarios, surrogate models are employed to make the forward mapping computationally efficient to evaluate. However, the high dimensionality of the input microstructure and the output field of interest often renders such surrogate models inefficient, especially when dealing with sparse data. Deep convolutional neural network (CNN) based surrogate models have shown great promise in handling such high-dimensional problems. In this paper, a single ellipsoidal void structure under a uniaxial tensile load represented by a linear elastic, high-dimensional and expensive-to-query, FEM model. We consider two deep CNN architectures, a modified convolutional autoencoder framework with a fully connected bottleneck and a UNet CNN, and compare their accuracy in predicting the von Mises stress field for any given input void shape in the FEM model. Additionally, a sensitivity analysis study is performed using the two approaches, where the variation in the prediction accuracy on unseen test data is studied through numerical experiments by varying the number of training samples from 20 to 100.

surrogate modeling; convolutional neural networks;↗
DOE OSTI2024

Improving Robustness of Spectrogram Classifiers with Neural Stochastic Differential Equations

Signal analysis and classification is fraught with high levels of noise and perturbation. Computer-vision-based deep learning models applied to spectrograms have proven useful in the field of signal classification and detection; however, these methods aren't designed to handle the low signal-to-noise ratios inherent within non-vision signal processing tasks. While they are powerful, they are currently not the method of choice in the inherently noisy and dynamic critical infrastructure domain, such as smart-grid sensing, anomaly detection, and non-intrusive load monitoring. Currently, these models can be brittle, which makes them susceptible to noisy input. This also means they have sub-optimal stability of explanation outputs. Experts and technicians using these models to make decisions in real world scenarios need assurance that a model is performing as it is supposed to. The classification or prediction outputs it generates should be sound and grounded, not likely to change in the presence of shifting noise landscapes. In this work, we explore the idea of Neural Stochastic Differential Equations (NSDE's) to improve the robustness of models trained to classify time series data and the effect of NSDE's on the explainability of outputs. We then test the effectiveness of these approaches by applying them to a non-intrusive load monitoring (NILM) dataset that consists of simulated harmonic signals injected into a real building.

Brogan, Joel↗
DOE OSTI2019

Uncovering the Forced Climate Response from a Single Ensemble Member Using Statistical Learning

Internal atmospheric variability fundamentally limits predictability of climate and obscures evidence of anthropogenic climate change regionally and on time scales of up to a few decades. Dynamical adjustment techniques estimate and subsequently remove the influence of atmospheric circulation variability on temperature or precipitation. The residual component is expected to contain the thermodynamical signal of the externally forced response but with less circulation-induced noise. Existing techniques have led to important insights into recent trends in regional (hydro-) climate and their drivers, but the variance explained by circulation is often low. Here, we develop a novel dynamical adjustment technique by implementing principles from statistical learning. We demonstrate in an ensemble of Community Earth System Model (CESM) simulations that statistical learning methods, such as regularized linear models, establish a clearer relationship between circulation variability and atmospheric target variables, and need relatively short periods of record for training (around 30 years). The method accounts for, on average, 83% and 78% of European monthly winter temperature and precipitation variability at gridcell level, and around 80% of global mean temperature and hemispheric precipitation variability. We show that the residuals retain forced thermodynamical contributions to temperature and precipitation variability. Accurate estimates of the total forced response can thus be recovered assuming that forced circulation changes are gradual over time. Overall, forced climate response estimates can be extracted at regional or global scales from approximately 3–5 times fewer ensemble members, or even a single realization, using statistical learning techniques. We anticipate the technique will contribute to reducing uncertainties around internal variability and facilitating climate change detection and attribution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Incorporating rhizosphere interactions and soil physical properties into a soil carbon degradation model through experimenting across ecotypes (Final Report)

Soil properties and biological communities contribute to carbon loss and gain, which vary significantly by ecosystem, but current carbon cycling models fail to incorporate interactions among these groups. We experimentally manipulated and modeled how mycorrhizal fungi and roots alter carbon dynamics in temperate, tropical, and boreal forests (see Jiang et al. 2017, Moore et al. 2015a, 2015b, in review, Zak et al. 2019, Rewcastle et al. in review). To date, we find that the influence of fungi on carbon dynamics varies by the nutrient constraints of that ecosystem. For example, in temperate forests mycorrhizal fungi compete with the free-living community to reduce carbon degradation - a pattern not seen in a boreal forest. We established a site in Costa Rica to explore the impact of fungi and roots on tropical forest carbon cycling and again found that the results were context dependent. Building on this, I held a workshop with soil carbon modelers and soil ecologists to explore how experiments and models predict carbon dynamics. We conducted a meta-analysis and ran model simulation with 5 soil carbon models. Surprisingly, we found that the spread in the models and experiments were similar - they predicted responses equally well (Sulman et al. 2018). However, the area we seemed to know little about and that produced the most spread in the models, and thus the underlying model assumptions, was the response of protected and unprotected carbon pools. These seem like exciting areas to follow-up on in the future. In addition, data from these experiments spurred numerous other studies across ecosystems and with a variety of modeling groups focusing on how plant-soil interactions alter carbon and nutrient cycling. For example, Classen wrote an Ecological Society of America invited centennial review paper on this topic in 2015. Our group hosted several workshops that resulted in the Sulman et al. (2018) paper in Biogeoscience and Classen recently attended a workshop at the University of Michigan on mycorrhizal influence on the carbon cycle that resulted in another thought piece (Zak et al. 2019) in New Phytologist and she has an invited review paper at Functional Ecology (Bennett & Classen in review) on this topic. Overall, there were >25 papers published on this topic over the grant period with 15 more papers in revision/review that were related to this project – we have at least two more papers in preparation. We trained >27 students and postdocs and participated in numerous talks, workshops, and community events promoting the importance of soils, soil diversity, and global change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Signal-preserving CMB component separation with machine learning

Analysis of microwave sky signals, such as the cosmic microwave background, often requires component separation using multifrequency methods, whereby different signals are isolated according to their different frequency behaviors. Many so-called blind methods, such as the internal linear combination (ILC), make minimal assumptions about the spatial distribution of the signal or contaminants, and only assume knowledge of the frequency dependence of the signal. The ILC produces a minimum-variance linear combination of the measured frequency maps. In the case of Gaussian, statistically isotropic fields, this is the optimal linear combination, as the variance is the only statistic of interest. However, in many cases the signal we wish to isolate, or the foregrounds we wish to remove, are non-Gaussian and/or statistically anisotropic (in particular for the case of Galactic foregrounds). In such cases, it is possible that machine learning (ML) techniques can be used to exploit the non-Gaussian features of the foregrounds and thereby improve component separation. However, many ML techniques require the use of complex, difficult-to-interpret operations on the data. We propose a hybrid method whereby we train an ML model using only combinations of the data that , and combine the resulting ML-predicted foreground estimate with the ILC solution to reduce the error from the ILC. We demonstrate our methods on simulations of extragalactic temperature and Galactic polarization foregrounds and show that our ML model can exploit non-Gaussian features, such as point sources and spatially varying spectral indices, to produce lower-variance maps than ILC—e.g., reducing the variance of the B-mode residual by factors of up to 5—while preserving the signal of interest in an unbiased manner. Moreover, we often find improved performance even when applying our ML technique to foreground models on which it was not trained. Published by the American Physical Society 2025

McCarthy, Fiona (ORCID:0000000253893565)↗
DOE OSTI2015

SU-C-304-03: Experimental Investigation On the Accuracy of Plastic Scintillation Dosimeters in Small Fields

Purpose: To investigate the accuracy of the Exradin W1 (SI) and of an “in-house” plastic scintillation dosimeter (CHUQ PSD) in small radiation fields. Methods: Output factor (OF) measurements with the W1 and CHUQ PSD were performed for field sizes of 0.5 x 0.5, 1 x 1 and 2 x 2 cm{sup 2}. Both detectors were placed parallel to the central axis (CAX) in water. The spectrum discrimination calibration method was performed in each set-up to account for the Cerenkov (CRV) signal created in the fiber. The OFs were compared to the expected field factors in water derived using i) Monte Carlo (MC) simulations of an accurate accelerator model and ii) microLion (PTW) and D1V diode (SI) OFs. MC-derived correction factors were applied to both the microLion and D1V OFs. For the CHUQ PSD the calibration was repeated in water (// CAX), solid water (perpendicular to CAX) and under a shielded configuration. The signal was collected using a spectrometer (wavelength range = 185–1100 nm). Spectral analysis was performed to evaluate potential changes of the spectral distributions under the various calibration set-up configurations. Results: The W1 OFs presented an over-response for the 0.5 x 0.5 cm{sup 2} in the range of 3 – 4.1% relative to the expected field factor. The CHUQ PSD presented an under-response in the range of 1.5 – 2.7%, without accounting for volume averaging. The CRV spectra under the various calibration procedures appeared similar to each other and only minor changes were observed to the respective OFs. Conclusion: The W1 and CHUQ PSD can be used in small fields down to a 1 x 1 cm{sup 2} field size. Discrepancies were encountered between the two detectors for the smallest field size of 0.5 x 0.5 cm{sup 2} with the CHUQ PSD exhibiting a closer agreement to the expected field factor. Funding sources: 1) Alexander S. Onassis Public Benefit Foundation in Greece and 2) CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council, Grant number: 432290, RGPIN-2014-06475.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2021

Feasibility of Earthbound Motion in Lunar Gravity

BACKGROUND: Marginal stability of astronaut movement while performing lunar surface tasks has been well documented, and is clearly demonstrated in videos of falls, and near falls, during Apollo Lunar Extravehicular Activities. Referencing mission reports from Apollo 15 and 16 [1, 2], suspected causes for falls include: surface conditions, visibility, and gravitational effects (hypogravity). In this preliminary test, we employ the open-source biomechanical tool OpenSim [3, 4] to analyze the impact of lunar gravity (Lg) on two object-pickup motions performed by a single shirt-sleeved subject. Specifically, we attempt to answer the following questions based on an estimation of the Center of Mass Projection (CoMP) and ground reaction force Center of Pressure (COP) as it relates to the astronaut Base of Support (BOS) for 1g and Lg conditions: 1. Is the task motion, as performed in 1g, dynamically feasible in 1g and Lg? 2. Can we make the motion dynamically feasible in Lg by slowing it down? 3. Is the Lg COP equal to the 1g COP at a theoretically predicted reduction in motion speed? METHODS AND RESULTS: To answer the first question, the gravitational acceleration in the OpenSim model is modified from a nominal 9.81 m/s2 to 1.64 m/s2, and the 1g joint trajectory is input to an OpenSim based method [5] for estimating ground reaction forces and moments. From this method, the position of the CoMP and COP can be estimated and checked to see if they remain within a simulated BOS formed from the footprint of the OpenSim model to determine whether the motion is dynamically feasible. As expected, both of the motions were estimated to be feasible in a 1g environment, however, both motions had periods of infeasibility in Lg. It is well known that crew members make adjustments to motion trajectories in altered gravity fields to maintain balance. As a first step, we considered the simple adjustment of slowing the motion in Lg by a constant factor. This was accomplished by scaling the time stamps in the motion trajectory file by that factor. For the two motions considered, it was found that scale factors of 1.3 and 1.4 kept the COP just within the subject BOS. The CoMP is unchanged by the gravity field. Simple analysis of an inverted pendulum in the Lg environment, which generalizes to a general multibody system, leads to a theoretical prediction that a reduction in speed factor of √1g/Lg, or 2.445, will make the COP trajectory in Lg equivalent to that in 1g. When the above procedure was performed with a factor of 2.445, the estimated COP in Lg, was observed to be very close to that in 1g. In summary, we have developed a method for estimating the CoMP and COP in Lg, for subject motion collected in 1g. We believe this method can prove to be a valuable check and balance for simulated Lg training and testing by exposing potential simulator-induced artifacts that make the simulated task motion seem possible, when in fact, it would violate the above criteria. We also note that a reduction in task speed should tend the task motion towards stability, with a theoretical slowdown factor of √1g/Lg making the motion stability equal to that in 1g according to the CoMP and COP criteria.

R K Huffman↗
DOE OSTI2016

Accurate and efficient prediction of fine-resolution hydrologic and carbon dynamic simulations from coarse-resolution models

The topography, and the biotic and abiotic parameters are typically upscaled to make watershed-scale hydrologic-biogeochemical models computationally tractable. However, upscaling procedure can produce biases when nonlinear interactions between different processes are not fully captured at coarse resolutions. Here, we applied the Proper Orthogonal Decomposition Mapping Method (PODMM) to downscale the field solutions from a coarse (7 km) resolution grid to a fine (220 m) resolution grid. PODMM trains a reduced-order model (ROM) with coarse-resolution and fine-resolution solutions, here obtained using PAWS+CLM, a quasi-3-D watershed processes model that has been validated for many temperate watersheds. Subsequent fine-resolution solutions were approximated based only on coarse-resolution solutions and the ROM. The approximation errors were efficiently quantified using an error estimator. By jointly estimating correlated variables and temporally varying the ROM parameters, we further reduced the approximation errors by up to 20%. We also improved the method's robustness by constructing multiple ROMs using different set of variables, and selecting the best approximation based on the error estimator. The ROMs produced accurate downscaling of soil moisture, latent heat flux, and net primary production with O(1000) reduction in computational cost. The subgrid distributions were also nearly indistinguishable from the ones obtained using the fine-resolution model. Compared to coarse-resolution solutions, biases in upscaled ROM solutions were reduced by up to 80%. This method has the potential to help address the long-standing spatial scaling problem in hydrology and enable long-time integration, parameter estimation, and stochastic uncertainty analysis while accurately representing the heterogeneities.

58 GEOSCIENCES↗
DOE OSTI2016

Modeling the Swift BAT trigger algorithm with machine learning

To draw inferences about gamma-ray burst (GRB) source populations based on Swift observations, it is essential to understand the detection efficiency of the Swift burst alert telescope (BAT). This study considers the problem of modeling the Swift/BAT triggering algorithm for long GRBs, a computationally expensive procedure, and models it using machine learning algorithms. A large sample of simulated GRBs from Lien et al. is used to train various models: random forests, boosted decision trees (with AdaBoost), support vector machines, and artificial neural networks. The best models have accuracies of ≳97% (≲3% error), which is a significant improvement on a cut in GRB flux, which has an accuracy of 89.6% (10.4% error). These models are then used to measure the detection efficiency of Swift as a function of redshift z, which is used to perform Bayesian parameter estimation on the GRB rate distribution. We find a local GRB rate density of n{sub 0}∼0.48{sub −0.23}{sup +0.41} Gpc{sup −3} yr{sup −1} with power-law indices of n{sub 1}∼1.7{sub −0.5}{sup +0.6} and n{sub 2}∼−5.9{sub −0.1}{sup +5.7} for GRBs above and below a break point of z{sub 1}∼6.8{sub −3.2}{sup +2.8}. This methodology is able to improve upon earlier studies by more accurately modeling Swift detection and using this for fully Bayesian model fitting.

79 ASTRONOMY AND ASTROPHYSICS↗