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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Steering laws for double-gimbal control-moment gyros

Derivation of CMG steering laws was considered. The type of CMG considered was a double gimbal one which has a constant magnitude momentum vector. The equations for the generation of torque of an inertially fixed CMG are presented. To realize a particular commanded torque, the gimbal rates of the CMG must be specified. These gimbal rates are shown to be functions of gimbal angle orientation and the commanded torque. The conventional cross-product steering law was derived by minimizing a function which was the square of the magnitude of the error between the commanded torque and the realizable torque of the gyro. This steering law was severely dependent upon the inner gimbal angle. When the inner gimbal reaches 90 degrees, the cross product law requires infinite outer gimbal rates to realize finite torque values.

Winder, S. W.↗
NASA NTRS2016

High-Performance Reaction Wheel Optimization for Fine-Pointing Space Platforms: Minimizing Induced Vibration Effects on Jitter Performance plus Lessons Learned from Hubble Space Telescope for Current and Future Spacecraft Applications

The Hubble Space Telescope (HST) applies large-diameter optics (2.5-m primary mirror) for diffraction-limited resolution spanning an extended wavelength range (approx. 100-2500 nm). Its Pointing Control System (PCS) Reaction Wheel Assemblies (RWAs), in the Support Systems Module (SSM), acquired an unprecedented set of high-sensitivity Induced Vibration (IV) data for 5 flight-certified RWAs: dwelling at set rotation rates. Focused on 4 key ratios, force and moment harmonic values (in 3 local principal directions) are extracted in the RWA operating range (0-3000 RPM). The IV test data, obtained under ambient lab conditions, are investigated in detail, evaluated, compiled, and curve-fitted; variational trends, core causes, and unforeseen anomalies are addressed. In aggregate, these values constitute a statistically-valid basis to quantify ground test-to-test variations and facilitate extrapolations to on-orbit conditions. Accumulated knowledge of bearing-rotor vibrational sources, corresponding harmonic contributions, and salient elements of IV key variability factors are discussed. An evolved methodology is presented for absolute assessments and relative comparisons of macro-level IV signal magnitude due to micro-level construction-assembly geometric details/imperfections stemming from both electrical drive and primary bearing design parameters. Based upon studies of same-size/similar-design momentum wheels' IV changes, upper estimates due to transitions from ground tests to orbital conditions are derived. Recommended HST RWA choices are discussed relative to system optimization/tradeoffs of Line-Of-Sight (LOS) vector-pointing focal-plane error driven by higher IV transmissibilities through low-damped structural dynamics that stimulate optical elements. Unique analytical disturbance results for orbital HST accelerations are described applicable to microgravity efforts. Conclusions, lessons learned, historical context/insights, and perspectives on future applications are given; these previously unpublished data and findings represents a valuable resource for fine-pointing spacecraft or space-based platforms using RWAs, Control Moment Gyros (CMGs), Momentum Wheels, or other ball-bearing-based rotational units.

Hasha, Martin D.↗
NASA NTRS2020

Terrain Relative Navigation for Guided Descent on Titan

Titan’s dense atmosphere, low gravity, and high winds at high altitudes create descent times of >90 minutes with standard entry/descent/landing (EDL) architectures and result in large unguided landing ellipses, with 99% values of 110x110 km and 149x72 km in recent Titan lander proposals. Enabling precision landing on Titan could increase science return for the types of missions proposed to date and make additional types of landing sites accessible, opening up new possibilities for science investigations. Precision landing on Titan has unique challenges, because the hazy atmosphere makes it difficult to see the surface and because it requires guided descent with divert ranges that are one to two orders of magnitude larger than needed for other target bodies, i.e. up to on the order of 100 km. It is conceivable that such a divert capability could be provided economically by a parafoil or other steerable aerodynamic decelerator deployed several 10s of km above the surface. The long descent times lead to large inertial navigation errors, hence a need for terrain relative navigation (TRN). This would require a TRN capability that can operate at such altitudes, despite challenges of seeing the surface sufficiently clearly and of depending on map products that are two orders of magnitude lower in spatial resolution than those for Mars and airless bodies. We then develop algorithms for map matching and feature tracking with descent images and test these with synthetic images created from Cassini/Huygens data sets and our radiative transfer model. We also introduce new possibilities for TRN based on the potential to discriminate some specific types of terrain onboard in descent imagery, such as lake vs adjacent ground and dune vs interdune. We use sensor measurement noise models in simulations of state estimation with an extended Kalman filter that includes coordinates of a set of tracked features in the state vector. Case studies were done for two notional landing sites, one in a site with only dry ground and one in a Titan lake district. In both cases, the filter error model shows 3 position error at touchdown on the order of 2 km. More work is needed to validate these results with higher fidelity camera models and larger data sets, but this is very promising.

Matthies, Larry↗
DOE OSTI2019

The Buzzard Flock: Dark Energy Survey Synthetic Sky Catalogs

We present a suite of 18 synthetic sky catalogs designed to support science analysis of galaxies in the Dark Energy Survey Year 1 (DES Y1) data. For each catalog, we use a computationally efficient empirical approach, ADDGALS, to embed galaxies within light-cone outputs of three dark matter simulations that resolve halos with masses above ~5x10^12 h^-1 m_sun at z <= 0.32 and 10^13 h^-1 m_sun at z~2. The embedding method is tuned to match the observed evolution of galaxy counts at different luminosities as well as the spatial clustering of the galaxy population. Galaxies are lensed by matter along the line of sight --- including magnification, shear, and multiple images --- using CALCLENS, an algorithm that calculates shear with 0.42 arcmin resolution at galaxy positions in the full catalog. The catalogs presented here, each with the same LCDM cosmology (denoted Buzzard), contain on average 820 million galaxies over an area of 1120 square degrees with positions, magnitudes, shapes, photometric errors, and photometric redshift estimates. We show that the weak-lensing shear catalog, redMaGiC galaxy catalogs and redMaPPer cluster catalogs provide plausible realizations of the same catalogs in the DES Y1 data by comparing their magnitude, color and redshift distributions, angular clustering, and mass-observable relations, making them useful for testing analyses that use these samples. We make public the galaxy samples appropriate for the DES Y1 data, as well as the data vectors used for cosmology analyses on these simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2015

An Upper Bound on Orbital Debris Collision Probability When Only One Object has Position Uncertainty Information

Upper bounds on high speed satellite collision probability, P (sub c), have been investigated. Previous methods assume an individual position error covariance matrix is available for each object. The two matrices being combined into a single, relative position error covariance matrix. Components of the combined error covariance are then varied to obtain a maximum P (sub c). If error covariance information for only one of the two objects was available, either some default shape has been used or nothing could be done. An alternative is presented that uses the known covariance information along with a critical value of the missing covariance to obtain an approximate but useful P (sub c) upper bound. There are various avenues along which an upper bound on the high speed satellite collision probability has been pursued. Typically, for the collision plane representation of the high speed collision probability problem, the predicted miss position in the collision plane is assumed fixed. Then the shape (aspect ratio of ellipse), the size (scaling of standard deviations) or the orientation (rotation of ellipse principal axes) of the combined position error ellipse is varied to obtain a maximum P (sub c). Regardless as to the exact details of the approach, previously presented methods all assume that an individual position error covariance matrix is available for each object and the two are combined into a single, relative position error covariance matrix. This combined position error covariance matrix is then modified according to the chosen scheme to arrive at a maximum P (sub c). But what if error covariance information for one of the two objects is not available? When error covariance information for one of the objects is not available the analyst has commonly defaulted to the situation in which only the relative miss position and velocity are known without any corresponding state error covariance information. The various usual methods of finding a maximum P (sub c) do no good because the analyst defaults to no knowledge of the combined, relative position error covariance matrix. It is reasonable to think, given an assumption of no covariance information, an analyst might still attempt to determine the error covariance matrix that results in an upper bound on the P (sub c). Without some guidance on limits to the shape, size and orientation of the unknown covariance matrix, the limiting case is a degenerate ellipse lying along the relative miss vector in the collision plane. Unless the miss position is exceptionally large or the at-risk object is exceptionally small, this method results in a maximum P (sub c) too large to be of practical use. For example, assuming that the miss distance is equal to the current ISS alert volume along-track (+ or -) distance of 25 kilometers and that the at-risk area has a 70 meter radius. The maximum (degenerate ellipse) P (sub c) is about 0.00136. At 40 kilometers, the maximum P (sub c) would be 0.00085 which is still almost an order of magnitude larger than the ISS maneuver threshold of 0.0001. In fact, a miss distance of almost 340 kilometers is necessary to reduce the maximum P (sub c) associated with this degenerate ellipse to the ISS maneuver threshold value. Such a result is frequently of no practical value to the analyst. Some improvement may be made with respect to this problem by realizing that while the position error covariance matrix of one of the objects (usually the debris object) may not be known the position error covariance matrix of the other object (usually the asset) is almost always available. Making use of the position error covariance information for the one object provides an improvement in finding a maximum P (sub c) which, in some cases, may offer real utility. The equations to be used are presented and their use discussed.

Frisbee, Joseph H., Jr.↗
NASA NTRS1982

The Magsat mission

The cesium-vapor scalar and fluxgate vector magnetometers aboard the Magsat spacecraft, which has a twilight, sun-synchronous orbit with a 96.76-deg inclination, have together measured the earth's magnetic field magnitude to accuracies better than 2 nT, and the magnitude of each field component to better than 6 nT. The magnetometers are located at the end of a boom to isolate them from the effects of spacecraft fields, and an optical system was used to measure the attitude of the vector magnetometer and sun sensor at the boom relative to the two star cameras of the main spacecraft structure. The data gathered is available from the National Space Science Data Center in several formats and is currently undergoing analysis. Scalar and vector error budget values are given for the spacecraft's five error sources, which include the instrument, position and time errors, digitization noise, attitude errors, and spacecraft fields.

Langel, R.↗
DOE OSTI2020

Deep learning surrogate model for kinetic Landau-fluid closure with collision

In this work, the kinetic Landau-fluid (LF) closure with collision and periodic boundary condition is used in the development of the deep learning (DL) surrogate model. A classical neural network, namely, feedforward neural network or sometimes termed multilayer perceptron, is constructed and trained to learn the kinetic LF closure in the static limit and arbitrary mean free path in configuration space. The preliminary relation between best hyperparameters and critical parameters for data generation is found. Compared with the numerical approach (non-Fourier method) of the LF closure, the deep learning surrogate model shows an order of magnitude of improvement in terms of accuracy. Perhaps most importantly, the surrogate model closure has been integrated for the first time with fluid simulations. Our DL-enabled fluid simulations, for the first time, give the correct Landau damping rate for a wide range of wave vectors, while the Hammett–Perkins closure cannot produce the correct damping rate. We correctly connect the collisionless Hammett–Perkins closure and collisional Braginskii closure to reproduce the intrinsic nonlocal feature of the heat flux with DL techniques. We address the most concerning error accumulation problem and find that simulations with the deep learning surrogate model are as good as, if not better than, simulations with the analytic closure in terms of long-term numerical stability in the linear Landau damping test.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1997

Object detection in natural backgrounds predicted by discrimination performance and models

Many models of visual performance predict image discriminability, the visibility of the difference between a pair of images. We compared the ability of three image discrimination models to predict the detectability of objects embedded in natural backgrounds. The three models were: a multiple channel Cortex transform model with within-channel masking; a single channel contrast sensitivity filter model; and a digital image difference metric. Each model used a Minkowski distance metric (generalized vector magnitude) to summate absolute differences between the background and object plus background images. For each model, this summation was implemented with three different exponents: 2, 4 and infinity. In addition, each combination of model and summation exponent was implemented with and without a simple contrast gain factor. The model outputs were compared to measures of object detectability obtained from 19 observers. Among the models without the contrast gain factor, the multiple channel model with a summation exponent of 4 performed best, predicting the pattern of observer d's with an RMS error of 2.3 dB. The contrast gain factor improved the predictions of all three models for all three exponents. With the factor, the best exponent was 4 for all three models, and their prediction errors were near 1 dB. These results demonstrate that image discrimination models can predict the relative detectability of objects in natural scenes.

NASA Center ARC↗
NASA NTRS1992

Acoustic intensity calculations for axisymmetrically modeled fluid regions

An algorithm for calculating acoustic intensities from a time harmonic pressure field in an axisymmetric fluid region is presented. Acoustic pressures are computed in a mesh of NASTRAN triangular finite elements of revolution (TRIAAX) using an analogy between the scalar wave equation and elasticity equations. Acoustic intensities are then calculated from pressures and pressure derivatives taken over the mesh of TRIAAX elements. Intensities are displayed as vectors indicating the directions and magnitudes of energy flow at all mesh points in the acoustic field. A prolate spheroidal shell is modeled with axisymmetric shell elements (CONEAX) and submerged in a fluid region of TRIAAX elements. The model is analyzed to illustrate the acoustic intensity method and the usefulness of energy flow paths in the understanding of the response of fluid-structure interaction problems. The structural-acoustic analogy used is summarized for completeness. This study uncovered a NASTRAN limitation involving numerical precision issues in the CONEAX stiffness calculation causing large errors in the system matrices for nearly cylindrical cones.

Hambric, Stephen A.↗
DOE OSTI2025

Single-qubit multi-party transmission using universal symmetric quantum cloning

This study considers the hypothetical quantum network case where Alice wishes to transmit one qubit of information (specifically a pure quantum state) to M parties, where M is some large number. The remote receivers locally perform single-qubit quantum state tomography on the transmitted qubits in order to compute the quantum state within some error rate (dependent on the tomography technique and the number of transmitted qubits). We show that with the use of an intermediate optimal symmetric universal quantum cloning machine (between Alice and the remote receivers) as a repeater-type node in a hypothetical quantum network, Alice can send significantly fewer qubits compared to direct transmission of the message qubits to each of the M remote receivers. This is possible due to two properties of quantum cloning. The first is that single qubit quantum clones retain the same Bloch angle as the initial quantum state. This means that if the mixed state of the quantum clone can be computed to high enough accuracy, the original pure quantum state can be inferred by extrapolating that vector to the surface of the Bloch sphere. The second property is that the state overlap of approximate quantum clones, with respect to the original pure quantum state, quickly converges (specifically for 1 → M , the limit of the fidelity as M goes to infinity is $\frac{2}{3}$). This means that Alice can prepare a constant number of qubits (which are then passed through the quantum cloning machine) in order to achieve a desired error rate if M is large enough. Combined, these two properties mean that for a large M , Alice can prepare many orders of magnitude fewer qubits in order to achieve the same single qubit transmission accuracy compared to the naive direct qubit transmission approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2008

Linear FMCW Laser Radar for Precision Range and Vector Velocity Measurements

An all fiber linear frequency modulated continuous wave (FMCW) coherent laser radar system is under development with a goal to aide NASA s new Space Exploration initiative for manned and robotic missions to the Moon and Mars. By employing a combination of optical heterodyne and linear frequency modulation techniques and utilizing state-of-the-art fiber optic technologies, highly efficient, compact and reliable laser radar suitable for operation in a space environment is being developed. Linear FMCW lidar has the capability of high-resolution range measurements, and when configured into a multi-channel receiver system it has the capability of obtaining high precision horizontal and vertical velocity measurements. Precision range and vector velocity data are beneficial to navigating planetary landing pods to the preselected site and achieving autonomous, safe soft-landing. The all-fiber coherent laser radar has several important advantages over more conventional pulsed laser altimeters or range finders. One of the advantages of the coherent laser radar is its ability to measure directly the platform velocity by extracting the Doppler shift generated from the motion, as opposed to time of flight range finders where terrain features such as hills, cliffs, or slopes add error to the velocity measurement. Doppler measurements are about two orders of magnitude more accurate than the velocity estimates obtained by pulsed laser altimeters. In addition, most of the components of the device are efficient and reliable commercial off-the-shelf fiber optic telecommunication components. This paper discusses the design and performance of a second-generation brassboard system under development at NASA Langley Research Center as part of the Autonomous Landing and Hazard Avoidance (ALHAT) project.

Pierrottet, Diego↗
DOE OSTI2023

Resolution of a few problems in the application of quasilinear theory to calculating diffusion coefficients in heliophysics [Slides]

Three problems with the historical literature were discussed. Kennel and Engelmann (1966): ‘notational error’ that implies that diffusion coefficients depend on the distribution of wave power with respect to ψ. This dependence is unphysical and is not present in Lyons+ 1971. Kennel and Engelmann (1966) assume that only a single frequency can be associated with each wave vector: not necessarily true for EMIC, e.g. Lyons (1974a, 1974b) incorrectly used the Jacobian to relate the power spectral density in (ω,χ) space to that into (κ ⊥ , κ ∥ space. The correct use of the Jacobian: (1) Eliminates undesirable properties associated with N(ω) : lack of integrability, lack of superposition; and (2) Can produce orders of magnitude changes to the diffusion coefficients, but depends on the wave distribution: bigger effect for more oblique waves, and depends on the plasma parameter: bigger effect for smaller $ω_{pe}/ω_{ce}$.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2018

Estimation of Lower-Body Kinetics from Loading Profile and Kinematics Alone, Without Measured Ground Reaction Forces

Biomechanical models of human motion can estimate kinetic outcomes, such as joint moments, joint forces and muscle forces. Typically, one performs an inverse dynamics (ID) analysis to compute joint moments from joint angles and measured external forces. Sometimes it is impractical to measure ground reaction forces and moments (GRF&M). We devised an empirical method for performing ID analysis of resistance exercises without measured GRF&M. The method solves the multibody dynamics equations of motion with four key assumptions about the GRF&M that reduce the number of unknowns. The assumptions are 1) negligible ground reaction moments, 2) fixed lateral/medial location of the center of pressure (COP), 3) equal fore/aft location of the COP between the feet, and 4) constant angle of the GRF vector relative to the vertical axis in the frontal plane. We used evaluation trials from a spaceflight countermeasure resistance training device to test this approach. Four participants performed squat and deadlift exercises at various loads. We compared results from traditional ID analysis to results without measured GRF&M using our method. We found that joint moment trajectories in the sagittal plane were qualitatively similar in shape between the two methods, and the amount of root mean squared error (RMSE), measured by difference in joint moment impulse, was typically under 10 percent. Non-sagittal joint moment trajectories, which are much lower in overall magnitude, were not qualitatively similar in shape between the two methods. Non-sagittal moments displayed much higher RMSE, with typical values well over 50 percent. These findings were further supported by validation metrics (Sprague and Geers' P and M metrics, Pearson's r correlation coefficient). Based on these findings, we concluded that useful kinetic results are obtained from ID analysis of squat and deadlift exercises, even when GRF&M are not measured, as long as the outcomes of interest lie in the sagittal plane.

computational modeling↗
DOE OSTI2025

Extension of Complex Refractive Index Measurements to the Near-Infrared for Liquids: Methodology and Uncertainty Analysis

Optical identification of liquid droplets, aerosols, or thin films is important for many applications. While reference spectra are sometimes available for such measurements, they are not always applicable to the observed spectrum or the given sample morphology. Reference spectra for many forms can be modeled, however, if the n/k vectors (real and imaginary refractive indices) are available. In previous work we have reported protocols to determine the n/k vectors for dozens of liquids, primarily in the mid-infrared (MIR) spectral range from 7500 to 400 cm –1 . In this work we extend the spectral range into the near-infrared (NIR) region, demonstrating a method to measure and merge the data sets to create composite n/k data ranging from 10 000 to 400 cm –1 (1.0 to 25 µm) with absorbance fidelity spanning over four orders of magnitude, and vastly improved signal-to-noise in the NIR. The precision of the composite data is evaluated for three different liquids, focusing primarily on the steps for converting the raw absorbance spectra to k values. The variability in both MIR and NIR data as well as in the final n/k vectors is also investigated for several liquids. For typical liquids, the overall variability (reported as 2σ) in the final n and k-vectors is determined to be ∼0.4% and 3%, respectively. Finally, the derived n/k data are used to calculate absorbance spectra for aerosol droplets, showing marginal variability due to the typical measurement errors in the final n/k vectors.

47 OTHER INSTRUMENTATION↗
NASA NTRS2001

Spatial orientation and balance control changes induced by altered gravitoinertial force vectors

To better understand the mechanisms of human adaptation to rotating environments, we exposed 19 healthy subjects and 8 vestibular-deficient subjects ("abnormal"; four bilateral and four unilateral lesions) to an interaural centripetal acceleration of 1 g (resultant 45 degrees roll-tilt of 1.4 g) on a 0.8-m-radius centrifuge for periods of 90 min. The subjects sat upright (body z-axis parallel to centrifuge rotation axis) in the dark with head stationary, except during 4 min of every 10 min, when they performed head saccades toward visual targets switched on at 3- to 5-s intervals at random locations (within +/- 30 degrees) in the earth-horizontal plane. Eight of the normal subjects also performed the head saccade protocol in a stationary chair adjusted to a static roll-tilt angle of 45 degrees for 90 min (reproducing the change in orientation but not the magnitude of the gravitoinertial force on the centrifuge). Eye movements, including voluntary saccades directed along perceived earth- and head-referenced planes, were recorded before, during, and immediately after centrifugation. Postural center of pressure (COP) and multisegment body kinematics were also gathered before and within 10 min after centrifugation. Normal subjects overestimated roll-tilt during centrifugation and revealed errors in perception of head-vertical provided by directed saccades. Errors in this perceptual response tended to increase with time and became significant after approximately 30 min. Motion-sickness symptoms caused approximately 25% of normal subjects to limit their head movements during centrifugation and led three normal subjects to stop the test early. Immediately after centrifugation, subjects reported feeling tilted 10 degrees in the opposite direction, which was in agreement with the direction of their earth-referenced directed saccades. Postural COP, segmental body motion amplitude, and hip-sway frequency increased significantly after centrifugation. These postural effects were short-lived, however, with a recovery time of several postural test trials (minutes). There were also asymmetries in the direction of postcentrifugation COP and head tilt which depended on the subject's orientation during the centrifugation adaptation period (left ear or right ear out). The amount of total head movements during centrifugation correlated poorly or inversely with postcentrifugation postural stability, and the most unstable subject made no head movements. There was no decrease in postural stability after static tilt, although these subjects also reported a perceived tilt briefly after return to upright, and they also had COP asymmetries. Abnormal subjects underestimated roll-tilt during centrifugation, and their directed saccades revealed permanent spatial distortions. Bilateral abnormal subjects started out with poor postural control, but showed no postural decrements after centrifugation, while unilateral abnormal subjects had varying degrees of postural decrement, both in their everyday function and as a result of experiencing the centrifugation. In addition, three unilateral, abnormal subjects, who rode twice in opposite orientations, revealed a consistent orthogonal pattern of COP offsets after centrifugation. These results suggest that both orientation and magnitude of the gravitoinertial vector are used by the central nervous system for calibration of multiple orientation systems. A change in the background gravitoinertial force (otolith input) can rapidly initiate postural and perceptual adaptation in several sensorimotor systems, independent of a structured visual surround.

Clinical Trial↗
NASA NTRS2009

Simulating and Detecting Radiation-Induced Errors for Onboard Machine Learning

Spacecraft processors and memory are subjected to high radiation doses and therefore employ radiation-hardened components. However, these components are orders of magnitude more expensive than typical desktop components, and they lag years behind in terms of speed and size. We have integrated algorithm-based fault tolerance (ABFT) methods into onboard data analysis algorithms to detect radiation-induced errors, which ultimately may permit the use of spacecraft memory that need not be fully hardened, reducing cost and increasing capability at the same time. We have also developed a lightweight software radiation simulator, BITFLIPS, that permits evaluation of error detection strategies in a controlled fashion, including the specification of the radiation rate and selective exposure of individual data structures. Using BITFLIPS, we evaluated our error detection methods when using a support vector machine to analyze data collected by the Mars Odyssey spacecraft. We found ABFT error detection for matrix multiplication is very successful, while error detection for Gaussian kernel computation still has room for improvement.

data analysis↗
NASA NTRS1973

Diurnal polar motion

An analytical theory is developed to describe diurnal polar motion in the earth which arises as a forced response due to lunisolar torques and tidal deformation. Doodson's expansion of the tide generating potential is used to represent the lunisolar torques. Both the magnitudes and the rates of change of perturbations in the earth's inertia tensor are included in the dynamical equations for the polar motion so as to account for rotational and tidal deformation. It is found that in a deformable earth with Love's number k = 0.29, the angular momentum vector departs by as much as 20 cm from the rotation axis rather than remaining within 1 or 2 cm as it would in a rigid earth. This 20 cm separation is significant in the interpretation of submeter polar motion observations because it necessitates an additional coordinate transformation in order to remove what would otherwise be a 20 cm error source in the conversion between inertial and terrestrial reference systems.

Mcclure, P.↗
DOE OSTI2024

Accelerating the Discovery of New, Single Phase High Entropy Ceramics via Active Learning

High-entropy ceramics have garnered interest due to their remarkable hardness, compressive strength, thermal stability, and fracture toughness; yet the discovery of new high-entropy ceramics (out of a tremendous number of possible elemental permutations) still largely requires costly, inefficient, trial-and-error experimental and computational approaches. The entropy forming ability (EFA) factor was recently proposed as a computational descriptor that positively correlates with the likelihood that a 5-metal high-entropy carbide (HECs) will form the desired single phase, homogeneous solid solution; however, discovery of new compositions is computationally expensive. If you consider 8 candidate metals, the HEC EFA approach uses 49 optimizations for each of the 56 unique 5-metal carbides, requiring a total of 2744 costly density functional theory calculations. Here, we describe an orders-of-magnitude more efficient active learning (AL) approach for identifying novel HECs. To begin, we compared numerous methods for generating composition-based feature vectors (e.g., magpie and mat2vec), deployed an ensemble of machine learning (ML) models to generate an average and distribution of predictions, and then utilized the distribution as an uncertainty. Here we then deployed an AL approach to extract new training data points where the ensemble of ML models predicted a high EFA value or was uncertain of the prediction. Our approach has the combined benefit of decreasing the amount of training data required to reach acceptable prediction qualities and biases the predictions toward identifying HECs with the desired high EFA values, which are tentatively correlated with the formation of single phase HECs. Using this approach, we increased the number of 5-metal carbides screened from 56 to 15,504, revealing 4 compositions with record-high EFA values that were previously unreported in the literature. Our AL framework is also generalizable and could be modified to rationally predict optimized candidate materials/combinations with a wide range of desired properties (e.g., mechanical stability, thermal conductivity).

36 MATERIALS SCIENCE↗