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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 19 records

Machine Learning Modeling for Accelerated Battery Materials Design in the Small Data Regime

Abstract Machine learning (ML)‐based approaches to battery design are relatively new but demonstrate significant promise for accelerating the timeline for new materials discovery, process optimization, and cell lifetime prediction. Battery modeling represents an interesting and unconventional application area for ML, as datasets are often small but some degree of physical understanding of the underlying processes may exist. This review article provides discussion and analysis of several important and increasingly common questions: how ML‐based battery modeling works, how much data are required, how to judge model performance, and recommendations for building models in the small data regime. This article begins with an introduction to ML in general, highlighting several important concepts for small data applications. Previous ionic conductivity modeling efforts are discussed in depth as a case study to illustrate these modeling concepts. Finally, an overview of modeling efforts in major areas of battery design is provided and several areas for promising future efforts are identified, within the context of typical small data constraints.

Sendek, Austin D.↗

Small Scale WEC Performance Modeling Data

Small Scale WEC Performance Modeling Data is performance data from downscaled models of common WEC devices and their calculated performance outputs. This data is used by the Small WEC interactive modeling tool hosted by PRIMRE. The devices include a point absorber, a two-body point absorber (RM3), an oscillating surge device (OSWEC), and an attenuator type device (McCabe Wave Pump). One of the primary use cases for this work is to give an easy way to compare power output for a variety of WECs and model sizes.

16 TIDAL AND WAVE POWER↗

Small Aircraft Data Distribution System

The CARVE Small Aircraft Data Distribution System acquires the aircraft location and attitude data that is required by the various programs running on a distributed network. This system distributes the data it acquires to the data acquisition programs for inclusion in their data files. It uses UDP (User Datagram Protocol) to broadcast data over a LAN (Local Area Network) to any programs that might have a use for the data. The program is easily adaptable to acquire additional data and log that data to disk. The current version also drives displays using precision pitch and roll information to aid the pilot in maintaining a level-level attitude for radar/radiometer mapping beyond the degree available by flying visually or using a standard gyro-driven attitude indicator. The software is designed to acquire an array of data to help the mission manager make real-time decisions as to the effectiveness of the flight. This data is displayed for the mission manager and broadcast to the other experiments on the aircraft for inclusion in their data files. The program also drives real-time precision pitch and roll displays for the pilot and copilot to aid them in maintaining the desired attitude, when required, during data acquisition on mapping lines.

Chazanoff, Seth L.↗

The Small Explorer Data System - A data system based on standard interfaces

The Small Explorer Data System was developed by NASA Goddard Space Flight Center using a 'standard interfaces' approach. Standard interfaces make it adaptable to a wide variety of missions. The paper describes the Small Explorer Data System with particular emphasis on the standard interfaces incorporated in both the hardware and software.

Smith, Brian S.↗

Small Explorer Data System MIL-STD-1773 fiber optic bus

The MIL-STD-1773 Fiber Optic Data Bus as implemented in the GSFC Small Explorer Data System (SEDS) for the Small Explorer Program is described. It provides an overview of the SEDS MIL-STD-1773 bus components system design considerations, reliability figures, acceptance and qualification testing requirements, radiation requirements and tests, error handling considerations, and component heritage. The first mission using the bus will be launched in June of 1992.

Flanegan, Mark↗

Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data

Abstract Artificial intelligence (AI) and machine learning (ML) have been increasingly used in materials science to build predictive models and accelerate discovery. For selected properties, availability of large databases has also facilitated application of deep learning (DL) and transfer learning (TL). However, unavailability of large datasets for a majority of properties prohibits widespread application of DL/TL. We present a cross-property deep-transfer-learning framework that leverages models trained on large datasets to build models on small datasets of different properties. We test the proposed framework on 39 computational and two experimental datasets and find that the TL models with only elemental fractions as input outperform ML/DL models trained from scratch even when they are allowed to use physical attributes as input, for 27/39 (≈ 69%) computational and both the experimental datasets. We believe that the proposed framework can be widely useful to tackle the small data challenge in applying AI/ML in materials science.

36 MATERIALS SCIENCE↗

Advances in Aero-Propulsive Modeling for Fixed-Wing and eVTOL Aircraft Using Experimental Data

Small unmanned aircraft and electric vertical takeoff and landing (eVTOL) aircraft have recently emerged as vehicles able to perform new missions and stimulate future air transportation methods. This dissertation presents several system identification research advancements for these modern aircraft configurations enabling accurate mathematical model development for flight dynamics simulations based on wind-tunnel and flight-test data. The first part of the dissertation focuses on advances in flight-test system identification methods using small, fixed-wing, remotely-piloted, electric, propeller-driven aircraft. A generalized approach for flight dynamics model development for small fixed-wing aircraft from flight data is described and is followed by presentation of novel flight-test system identification applications, including: aero-propulsive model development for propeller aircraft and nonlinear dynamic model identification without mass properties. The second part of the dissertation builds on established fixed-wing and rotary-wing aircraft system identification methods to develop modeling strategies for transitioning, distributed propulsion, eVTOL aircraft. Novel wind-tunnel experiment designs and aero-propulsive modeling approaches are developed using a subscale, tandem tilt-wing, eVTOL aircraft, leveraging design of experiments and response surface methodology techniques. Additionally, a method applying orthogonal phase-optimized multisine input excitations to aircraft control effectors in wind-tunnel testing is developed to improve test efficiency and identified model utility. Finally, the culmination of this dissertation is synthesis of the techniques described throughout the document to form a flight-test system identification approach for eVTOL aircraft that is demonstrated using a high-fidelity flight dynamics simulation. The research findings highlighted throughout the dissertation constitute substantial progress in efficient empirical aircraft modeling strategies that are applicable to many current and future aeronautical vehicles enabling accurate flight simulation development, which can subsequently be used to foster advancement in many other pertinent technology areas.

system identification↗

Active Learning A Neural Network Model For Gold Clusters & Bulk From Sparse First Principles Training Data

Small metal clusters are of fundamental scientific interest and of tremendous significance in catalysis. These nanoscale clusters display diverse geometries and structural motifs depending on the cluster size; a knowledge of this size-dependent structural motifs and their dynamical evolution has been of longstanding interest. Given the high computational cost of first-principles calculations, molecular modeling and atomistic simulations such as molecular dynamics (MD) has proven to be an important complementary tool to aid this understanding. Classical MD typically employ predefined functional forms which limits their ability to capture such complex size-dependent structural and dynamical transformation. Neural Network (NN) based potentials represent flexible alternatives and in principle, well-trained NN potentials can provide high level of flexibility, transferability and accuracy on-par with the reference model used for training. A major challenge, however, is that NN models are interpolative and requires large quantities (similar to 10 4 or greater) of training data to ensure that the model adequately samples the energy landscape both near and far-from-equilibrium. A highly desirable goal is minimize the number of training data, especially if the underlying reference model is first-principles based and hence expensive. In this work, we introduce an active learning (AL) scheme that trains a NN model on-the-fly with minimal amount of first-principles based training data. Our AL workflow is initiated with a sparse training dataset (similar to 1 to 5 data points) and is updated on-the-fly via a Nested Ensemble Monte Carlo scheme that iteratively queries the energy landscape in regions of failure and updates the training pool to improve the network performance. Using a representative system of gold clusters, we demonstrate that our AL workflow can train a NN with similar to 500 total reference calculations. Using an extensive DFT test set of similar to 1100 configurations, we show that our AL-NN is able to accurately predict both the DFT energies and the forces for clusters of a myriad of different sizes. Our NN predictions are within 30 meV/atom and 40 meV/angstrom of the reference DFT calculations. Moreover, our AL-NN model also adequately captures the various size-dependent structural and dynamical properties of gold clusters in excellent agreement with DFT calculations and available experiments. We finally show that our AL-NN model also captures bulk properties reasonably well, even though they were not included in the training data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of the Simple Safe Site Selection (S4) Hazard Detection Algorithm Using Helicopter Field Test Data

Small scale terrain hazards, such as rocks, slopes, and craters, can pose significant risk to landing spacecraft and rover or payload deployment. Onboard Hazard Detection and Avoidance (HDA) systems scan and analyze the landing area for these hazards in real time during descent, and divert the spacecraft to the safest touchdown site. The computationally efficient Simple Safe Site Selection (S4) algorithm combined with a flash LIDAR is an HDA system geared towards small robotic spacecraft. Rather than creating and analyzing a digital elevation map (DEM) from potentially many overlapping range images, S4 operates directly on a single flash LIDAR image. Extending prior work that has analyzed S4 performance for Mars landing using extensive simulations, this paper evaluates S4 performance using actual flash LIDAR images of an artificial hazard field acquired during a 2014 helicopter field test in Death Valley, CA. In particular, we describe LIDAR characterization and calibration, creation of ground truth elevation and safety maps, creation of ground truth sensor poses, actual S4 algorithm processing, and performance analysis. The results show that the safety cost images produced by S4 are remarkably close to the ground truth safety map (computed offline by an HDA algorithm developed under the Autonomous Landing and Hazard Avoidance (ALHAT) project) at significantly reduced computational cost, confirming S4 as a viable candidate algorithm for onboard spacecraft HDA.

Luna, Michael E.↗

Hydrothermal History of (162173) Ryugu’s Parent Body Inferred from Remote-Sensing Data

Small rubble pile asteroids record the thermal evolution of their much larger parent bodies. However, recent space weathering and/or solar heating create ambiguities between the uppermost layer observable by remote-sensing and the pristine material from the parent body. Hayabusa2 remote-sensing observations find that on the asteroid (162173) Ryugu both north and south pole regions preserve the least space-weathered material, which is spectrally blue carbonaceous chondritic material with a 0 – 3% deep 0.7-μm band absorption, indicative of Fe-bearing phyllosilicates . We report that spectrally blue Ryugu’s parent body experienced intensive aqueous alteration and subsequent thermal metamorphism at 570 – 670 K (300 – 400 ˚C), suggesting that Ryugu’s parent body was heated by radioactive decay of short-lived radionuclides possibly because of its early formation 2-2.5 Ma. The samples being brought to Earth by Hayabusa2 will give us our first insights into this epoch in solar system history. Moreover, we found the NUV-VIS spectral similarity between Ryugu and Polana–Eulalia family members, suggesting plausible origin from inner main belt predicted by the dynamical simulation.

Eri Tatsumi↗

Backus Effect on a Perpendicular Errors in Harmonic Models of Real vs. Synthetic Data

Measurements of geomagnetic scalar intensity on a thin spherical shell alone are not enough to separate internal from external source fields; moreover, such scalar data are not enough for accurate modeling of the vector field from internal sources because of unmodeled fields and small data errors. Spherical harmonic models of the geomagnetic potential fitted to scalar data alone therefore suffer from well-understood Backus effect and perpendicular errors. Curiously, errors in some models of simulated 'data' are very much less than those in models of real data. We analyze select Magsat vector and scalar measurements separately to illustrate Backus effect and perpendicular errors in models of real scalar data. By using a model to synthesize 'data' at the observation points, and by adding various types of 'noise', we illustrate such errors in models of synthetic 'data'. Perpendicular errors prove quite sensitive to the maximum degree in the spherical harmonic expansion of the potential field model fitted to the scalar data. Small errors in models of synthetic 'data' are found to be an artifact of matched truncation levels. For example, consider scalar synthetic 'data' computed from a degree 14 model. A degree 14 model fitted to such synthetic 'data' yields negligible error, but amplifies 4 nT (rmss) added noise into a 60 nT error (rmss); however, a degree 12 model fitted to the noisy 'data' suffers a 492 nT error (rmms through degree 12). Geomagnetic measurements remain unaware of model truncation, so the small errors indicated by some simulations cannot be realized in practice. Errors in models fitted to scalar data alone approach 1000 nT (rmss) and several thousand nT (maximum).

Voorhies, C. V.↗

PPINN: Parareal physics-informed neural network for time-dependent PDEs

Physics-informed neural networks (PINNs) encode physical conservation laws and prior physical knowledge into the neural networks, ensuring the correct physics is represented accurately while alleviating the need for supervised learning to a great degree. While effective for relatively short-term time integration, when long time integration of the time-dependent PDEs is sought, the time–space domain may become arbitrarily large and hence training of the neural network may become prohibitively expensive. To this end, we develop a parareal physics-informed neural network (PPINN), hence decomposing a long-time problem into many independent short-time problems supervised by an inexpensive/fast coarse-grained (CG) solver. In particular, the serial CG solver is designed to provide approximate predictions of the solution at discrete times, while initiate many fine PINNs simultaneously to correct the solution iteratively. There is a two-fold benefit from training PINNs with small-data sets rather than working on a large-data set directly, i.e., training of individual PINNs with small-data is much faster, while training the fine PINNs can be readily parallelized. Consequently, compared to the original PINN approach, the proposed PPINN approach may achieve a significant speed-up for long-time integration of PDEs, assuming that the CG solver is fast and can provide reasonable predictions of the solution, hence aiding the PPINN solution to converge in just a few iterations. To investigate the PPINN performance on solving time-dependent PDEs, we first apply the PPINN to solve the Burgers equation, and subsequently we apply the PPINN to solve a two-dimensional nonlinear diffusion–reaction equation. Furthermore, our results demonstrate that PPINNs converge in a few iterations with significant speed-ups proportional to the number of time-subdomains employed.

42 ENGINEERING↗

The Atacama Cosmology Telescope: Likelihood for Small-Scale CMB Data

The Atacama Cosmology Telescope has measured the angular power spectra of microwave fluctuations to arcminute scales at frequencies of 148 and 218 GHz, from three seasons of data. At small scales the fluctuations in the primordial Cosmic Microwave Background (CMB) become increasingly obscured by extragalactic foregounds and secondary CMB signals. We present results from a nine-parameter model describing these secondary effects, including the thermal and kinematic Sunyaev-Zel'dovich (tSZ and kSZ) power; the clustered and Poisson-like power from Cosmic Infrared Background (CIB) sources, and their frequency scaling; the tSZ-CIB correlation coefficient; the extragalactic radio source power; and thermal dust emission from Galactic cirrus in two different regions of the sky. In order to extract cosmological parameters, we describe a likelihood function for the ACT data, fitting this model to the multi-frequency spectra in the multipole range 500 < l < 10000. We extend the likelihood to include spectra from the South Pole Telescope at frequencies of 95, 150, and 220 GHz. Accounting for different radio source levels and Galactic cirrus emission, the same model provides an excellent fit to both datasets simultaneously, with χ2/dof= 675/697 for ACT, and 96/107 for SPT. We then use the multi-frequency likelihood to estimate the CMB power spectrum from ACT in bandpowers, marginalizing over the secondary parameters. This provides a simplified 'CMB-only' likelihood in the range 500 < l < 3500 for use in cosmological parameter estimation

Cosmology↗

MacroSheds: A synthesis of long-term biogeochemical, hydroclimatic, and geospatial data from small watershed ecosystem studies

The US Federal Government supports hundreds of watershed monitoring efforts from which solute fluxes can be calculated. Although instrumentation and methods vary between studies, the data collected and their motivating questions are remarkably similar. Nevertheless, little effort toward their compilation has previously been made. The MacroSheds project has developed a future-friendly system for harmonizing daily time series of streamflow, precipitation, and solute chemistry from 169+ watersheds, and supplementing each with watershed attributes. Here, we describe the breadth of MacroSheds data, and detail the steps involved in rendering each data product. We provide recommendations for usage and discuss when other datasets might be more suitable. The MacroSheds dataset is an unprecedented resource for watershed science, and for hydrology, as a small-watershed supplement to existing collections of streamflow predictors, like CAMELS and GAGES-II. The MacroSheds platform includes a web dashboard for visualization and an R package for data access and analysis.

59 BASIC BIOLOGICAL SCIENCES↗

A system identification approach for non-intrusive reduced order modeling of radiation-induced photocurrents

In this study, development of compact photocurrent models is currently dominated by analytical techniques that rely on physical assumptions to render the governing equations solvable in a closed form. Violation of these assumptions can reduce the accuracy of the models and/or limit their scope. In this paper we show that system identification of nonlinear state-space systems can serve as an alternative numerical basis for non-intrusive reduced order modeling of photocurrent effects. To that end we develop a compact gray box photocurrent model (GBPM) by using a state-space representation with a low-dimensional latent state equation that mimics a mathematical model for the response of an idealized class of devices to ionizing radiation. In so doing we obtain a model that learns the dynamics of a quantity of interest directly from its measurements without requiring snapshots of the internal device state or its discretized model, and can be inferred from very small data sets. To demonstrate the approach we train the GBPM using a small experimental data set for a Z5236 Zener diode and a small synthetic data set obtained by simulating a synthetic pn-junction device. We then compare the GBPMs with black box models trained on the same data and show that performance of the latter is limited by the size of the data set, while the former are able to achieve excellent performance in both the reproductive and the predictive regimes.

97 MATHEMATICS AND COMPUTING↗

Test data from small solid propellant rocket motor plume measurements (FA-21)

A program is described for obtaining a reliable, parametric set of measurements in the exhaust plumes of solid propellant rocket motors. Plume measurements included pressures, temperatures, forces, heat transfer rates, particle sampling, and high-speed movies. Approximately 210,000 digital data points and 15,000 movie frames were acquired. Measurements were made at points in the plumes via rake-mounted probes, and on the surface of a large plate impinged by the exhaust plume. Parametric variations were made in pressure altitude, propellant aluminum loading, impinged plate incidence angle and distance from nozzle exit to plate or rake. Reliability was incorporated by continual use of repeat runs. The test setup of the various hardware items is described along with an account of test procedures. Test results and data accuracy are discussed. Format of the data presentation is detailed. Complete data are included in the appendix.

Hair, L. M.↗