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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
NASA NTRS1976

Neutral calcium, strontium and barium - Determination of f values of the principal series by the hook method

The hook method is used to measure the absolute gf values of the following lines: the first 13 members of the principal series, the ground-level transition at 2275.46 A, and the intercombination line at 6572.78 A in Ca I; the first 22 members of the principal series, the ground-level transitions at 2428.1 and 2680.08 A, and the intercombination line at 6892.6 A in Sr I; and the members from principal quantum numbers 12 to 21, inclusive, as well as the ground-level transitions at 2432.5, 2444.6, and 2454.06 A in Ba I. The results are compared with those of previous measurements, and the quantum-defect method is applied to plot the oscillator strengths of the discrete transitions in the principal series of Mg I, Ca I, and Sr I in order to obtain estimates of the photoionization cross sections at the first ionization limit. The resulting cross sections are found to be about twice as large as previous values based on vapor-pressure data.

Parkinson, W. H.↗
NASA NTRS2005

Real-Time Principal-Component Analysis

A recently written computer program implements dominant-element-based gradient descent and dynamic initial learning rate (DOGEDYN), which was described in Method of Real-Time Principal-Component Analysis (NPO-40034) NASA Tech Briefs, Vol. 29, No. 1 (January 2005), page 59. To recapitulate: DOGEDYN is a method of sequential principal-component analysis (PCA) suitable for such applications as data compression and extraction of features from sets of data. In DOGEDYN, input data are represented as a sequence of vectors acquired at sampling times. The learning algorithm in DOGEDYN involves sequential extraction of principal vectors by means of a gradient descent in which only the dominant element is used at each iteration. Each iteration includes updating of elements of a weight matrix by amounts proportional to a dynamic initial learning rate chosen to increase the rate of convergence by compensating for the energy lost through the previous extraction of principal components. In comparison with a prior method of gradient-descent-based sequential PCA, DOGEDYN involves less computation and offers a greater rate of learning convergence. The sequential DOGEDYN computations require less memory than would parallel computations for the same purpose. The DOGEDYN software can be executed on a personal computer.

Duong, Vu↗
DOE OSTI2026

Creep in multi-principal element materials –– A review

The ongoing push towards enhanced energy efficiency and reduced emissions has necessitated the creation of materials with superior performance, especially under extreme conditions. Modern industries, such as aerospace, energy production, and nuclear power, rely heavily on materials that can withstand elevated temperatures without compromising structural integrity. At these heightened temperatures, materials, even when subjected to mechanical stresses well below their yield strength, may experience slow deformation leading to eventual rupture — a phenomenon known as creep. With the expansive design space that comes with the high entropy concept and their reported excellent high temperature strength, multi-principal element materials (MPEMs) have attracted interest in the scientific community for high-temperature applications. Here, this review offers a comprehensive examination of existing studies on creep in MPEMs, which includes multi-principal element−alloys, −bulk metallic glasses, −ceramics, and −superalloys, comparing published findings on MPEMs with pure elements, traditional alloys, bulk metallic glasses, and superalloys. The sub-topics covered include a comparison among different creep-testing methods, creep mechanisms, creep exponents, creep strain rates, activation volume, and creep-activation energy. Modeling efforts for predicting creep behavior of MPEMs are also reviewed. Methods for improving creep resistance by performing heat treatments and/or modifying microstructures are discussed. Overall, the current state of MPEMs has not yet surpassed the creep performance of commercial alloys. Finally, directions for future efforts are suggested, such as experimenting in various controlled environments, expanding the number of compositions tested, exploring advanced manufacturing techniques, and using machine-learning to predict creep properties based on compositions and microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Identifying Nuclear Data Correlated Through Predicting Bias in Integral Experiments via Applying Principal Component Analysis to Random Forest

ABSTRACT Nuclear data (ND) are the input data for neutron‐transport simulations to answer questions related to nuclear technologies. Subsets of ND, here > 20,000 data points, are validated with respect to thousands of criticality experiments that represent various applications on a small scale. The aim of validation with these experiments is to find errors in ND or methods. The key challenge here is that several hundreds of ND are used to simulate one integral value. Hence, one cannot clearly identify what ND are leading to bias in criticality measurements. In fact, a mistake in one nuclear‐data observable can be compensated with an error in another, and the predicted criticality value would still be predicted in agreement with experimental data. Random forest (RF) was previously employed to predict bias in criticality measurements using sensitivities of simulated criticality experiments to ND. The SHapley Additive exPlanations (SHAP) metric was then applied to attribute the importance of each ND experiment and observable to bias prediction. This, however, did not highlight what ND were jointly related to predicting bias. This is important as it could inform us about where compensating errors in ND could hide. We tackle this shortcoming here by first decomposing the ND sensitivities to integral‐experiment simulations into principal components. Then we use principal component projections to predict bias via the RF and SHAP. The SHAP values and principal components are employed to reconstruct detailed SHAP values for each ND observable. We demonstrate that these extended SHAP bias predictions are more robust, less noisy, and more efficient. In addition, we show that this approach accounts for covariance in ND sensitivities and automates the identification of where compensating errors could hide in ND.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Design, Processing, and Properties of WTaCrV-Hf Multi-principal Element Alloys

Refractory multi-principal element alloys are candidates for high-temperature structural components due, in part, to their high strength and high melting points. Single-phase materials are initially preferred for isotropic material properties as a function of time and temperature in service conditions. This work outlines a computational rank-ordering and experimental validation methodology for single-phase body-centered-cubic phase stability in WTaCrV-Hf alloys using order–disorder transition temperature. Eight compositions were fabricated by arc-melting and heat-treated at 1400 °C for 24 hrs. X-ray diffraction, energy-dispersive x-ray spectroscopy, and Vickers hardness testing showed alloys with order–disorder transition temperatures below 600 °C formed a single-phase body-centered-cubic structure during solidification and remained single-phase after heat-treatment. The sample possessing the lowest order–disorder transition temperature exhibited slip traces suggestive of room-temperature plastic deformation under Vickers indentation, with both heat-treated single-phase samples exhibiting hardnesses over 800 HV with little cracking compared to tungsten. These results establish order–disorder transition temperature as a viable predictive parameter for multi-principal element alloy phase stability. The methodology outlined in this work provides a framework for future design, fabrication, and characterization of high-temperature structural multi-principal element alloys.

CALPHAD↗
DOE OSTI2023

Selective oxidation and nickel enrichment hinders the repassivation kinetics of multi-principal element alloy surfaces

Robust and sustained corrosion resistance in multi-principal element alloys (MPEA) requires rapid repassivation, i.e. regrowth of the passive layer once it is damaged or destroyed at the surface. In this study, we show that the repassivation of Al 0.1 CrCoFeNi MPEA in 0.6 M NaCl solution is hindered at pH of ~ 2.4 - 6.8 due to the formation of a Ni-enriched subsurface layer as a result of selective oxidation and dissolution of several principal elements, which can be fully restored at pH of ~ 14 from the oxidation of all principal elements. Specifically, surface characterization via X-ray photoelectron spectroscopy (XPS), high-angle annular dark-field (HAADF) imaging in scanning transmission electron microscopy (STEM), and atom probe tomography (APT), are coupled with density functional theory (DFT) calculations to determine surface composition, oxidation state, and electron work function to uncover the structural origin of the pH-dependent repassivation mechanisms. It was found that selective oxidation of Cr, Co, and Fe in the acidic to neutral solutions altered the surface composition to be significantly enriched in Ni as compared to the bulk. Once the original passive film is destroyed locally by either pitting or tribocorrosion, this altered surface composition exhibited a much poorer repassivation capability due to the increased electron work function and reduced surface reactivity at higher Ni concentration. Finally, these understandings could shed light on the future compositional design of non-equiatomic MPEAs towards sustained repassivation and corrosion resistance over a wide pH range.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Principal Component Analysis of azimuthal flow in intermediate-energy heavy-ion reactions

Principal Component Analysis (PCA) via Singular Value Decomposition (SVD) of large datasets is an adaptive exploratory method to uncover natural patterns underlying the data. Several recent applications of the PCA-SVD to event-by-event single-particle azimuthal angle distribution matrices in ultra-relativistic heavy-ion collisions at RHIC-LHC energies indicate that the sine and cosine functions chosen a priori in the traditional Fourier analysis are naturally the most optimal basis for azimuthal flow studies according to the data itself. We perform PCA-SVD analyses of mid-central Au+Au collisions at $E$ $beam$ / $A$ =1.23 GeV simulated using an isospin-dependent Boltzmann-Uehling-Uhlenbeck (IBUU) transport model to address the following two questions: (1) if the principal components of the covariance matrix of nucleon azimuthal angle distributions in heavy-ion reactions around 1 GeV/nucleon are naturally sine and/or cosine functions and (2) what if any advantages the PCA-SVD may have over the traditional flow analysis using the Fourier expansion for studying the EOS of dense nuclear matter. In conclusion, we find that (1) in none of our analyses the principal components come out naturally as sine and/or cosine functions, (2) while both the eigenvectors and eigenvalues of the covariance matrix are appreciably EOS dependent, the PCA-SVD has no apparent advantage over the traditional Fourier analysis for studying the EOS of dense nuclear matter using the azimuthal collective flow in heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2013

Principal Components Analysis of a JWST NIRSpec Detector Subsystem

We present principal component analysis (PCA) of a flight-representative James Webb Space Telescope NearInfrared Spectrograph (NIRSpec) Detector Subsystem. Although our results are specific to NIRSpec and its T - 40 K SIDECAR ASICs and 5 m cutoff H2RG detector arrays, the underlying technical approach is more general. We describe how we measured the systems response to small environmental perturbations by modulating a set of bias voltages and temperature. We used this information to compute the systems principal noise components. Together with information from the astronomical scene, we show how the zeroth principal component can be used to calibrate out the effects of small thermal and electrical instabilities to produce cosmetically cleaner images with significantly less correlated noise. Alternatively, if one were designing a new instrument, one could use a similar PCA approach to inform a set of environmental requirements (temperature stability, electrical stability, etc.) that enabled the planned instrument to meet performance requirements

Analysis↗
DOE OSTI2023

Discrete Measurements of the Least Horizontal Principal Stress from Core Data: An Application of Viscoelastic Stress Relaxation

Summary The emerging Paradox Oil Play in southeastern Utah is among the most significant unconventional plays in the western USA. The mean total undiscovered oil resources within just the Pennsylvanian Cane Creek interval of the Paradox Basin are believed to exceed 215 million barrels. However, to date, less than 5% (~9 million barrels) of the total Cane Creek resource has been produced from fewer than 40 wells, and only approximately one-half of those are horizontal wells. More than 95% of production is from the central Cane Creek Unit (CCU). Natural fractures are a key feature of many production wells, but stimulation by induced hydraulic fractures is not consistently successful. We hypothesize that more effective production in this play will rely on better fundamental characterization, especially on better quantification of the state of stress. Approximately 110 ft of core, well logs, and a diagnostic fracture injection test (DFIT) were acquired from the State 16-2 well within the CCU. With these data, we applied two methods to constrain and clarify the state of stress. The first technique, the Simpson’s coefficient method, provides lower bounds on the two horizontal principal stresses and relies on only limited data. Alternatively, the viscoelastic stress relaxation (VSR) method is used to estimate the least horizontal principal stress, building on observations that principal stresses become more isotropic as the viscous behavior of a rock is more pronounced. Results of these two methods support the hypothesis that the state of stress in the CCU of the Paradox Basin is nearly lithostatic and isotropic. Other factors consistent with this hypothesis include high formation pore pressure, which tends to reduce the possible stress states by changing the frictional failure equilibrium; lack of induced fractures in the core, which should be present in the case of stress anisotropy; and interbedded halite layers, which given their high degree of ductility, probably lead to greater VSR for the entire sedimentary package.

Energy & Fuels↗
DOE OSTI2023

Refining Principal Stress Measurements in Reservoir Underburden in Regions of Induced Seismicity through Seismological Tools, Laboratory Experiments - Final Technical Report

This project developed methodologies to measure the in-situ principal stress in the deep subsurface through use of multiple independent, but complementary, seismic methods, laboratory verification, and development of theoretical frameworks. By leveraging existing regional and local datasets we developed, tested, and refined a set of diagnostic tools for determining the in-situ stress state with reduced uncertainty at and below reservoir depths (1.5-6 km). A set of novel tools was produced that are scale independent, such that their utility is equivalent on regional, field scale, and near borehole monitoring of principal stresses in reservoir underburden for carbon storage projects. During a 4-year Department of Energy (DOE) and Southern Company funded project, carried out by the Electric Power Research Institute (EPRI), Lawrence Livermore National Laboratory (LLNL), the University of Oklahoma (OU), and the U.S. Geological Survey (USGS), the project team developed methodologies to measure the far-field in-situ principal stress in the deep subsurface, leveraging induced seismicity data from waste-water disposal projects. These methodologies consisted in the use of well-established and technically advanced seismic processing methods, such as virtual seismometer method-moment tensor (VSM-MT) and shear wave splitting (SWS), that are adept at recovering the stress orientation and certain components of the stress tensor. These methods were applied to robust seismicity catalogs created with matched filter techniques near sites of active fluid disposal—a proxy for carbon storage sites where such datasets are more limited. Estimates of the stress orientation made with seismic processing tools were considered along with laboratory acoustic emission experiments conducted on rock samples from the region of interest. Stress orientations in the studied region do not vary significantly across distances of ~100 km, nor are they found to rotate through time as a consequence of local wastewater disposal, as previously speculated. Finally, the project team investigated the trade-offs among the different seismic methods and evaluated the range of uncertainty that is generated with these methodologies, which led to a practical use and refinement of the VSM-MT technique when it is applied to field datasets. Understanding the trade-offs between these different methods highlighted the potential benefits of improved quantification of uncertainties on stress field estimations.

58 GEOSCIENCES↗
NASA NTRS1981

Principal stress formulation of continua motion

Principal stress coordinates are formulated for a material without tension, with the equations of motion projected onto a selected coordinate system. The translations are achieved by forming the local basis vector in correspondence with the local stress tensor. The principal stress coordinates are described as orthogonal and curvilinear, and the metric is defined. The kinematics and dynamics of the principal stress coordinates are analyzed, the latter in orthogonal coordinates, and an analytic formulation of the dynamics of a no-tension material is provided. Finally, elastic granular material such as sand, soil, etc., which are more complicated versions of no-tension material, are explored.

Zak, M.↗
NASA NTRS1982

Principal Components as a Data Reduction and Noise Reduction Technique

The potential of principal components as a pipeline data reduction technique for thematic mapper data was assessed and principal components analysis and its transformation as a noise reduction technique was examined. Two primary factors were considered: (1) how might data reduction and noise reduction using the principal components transformation affect the extraction of accurate spectral classifications; and (2) what are the real savings in terms of computer processing and storage costs of using reduced data over the full 7-band TM complement. An area in central Pennsylvania was chosen for a study area. The image data for the project were collected using the Earth Resources Laboratory's thematic mapper simulator (TMS) instrument.

Imhoff, M. L.↗
NASA NTRS1982

The Use of Principal Components for Creating Improved Imagery for Geometric Control Point Selection

A directed principal component (PC) analysis and its transformation was applied to 7-channel thematic mapper simulator (TMS) data and 4-channel LANDSAT multispectral scanner system (MSS) data collected over the city of Lancaster, Pennsylvania, to create improved imagery for geometric control point selection for image to image registration. Nineteen temporally stable geometric control points, such as road interactions and bridges, were selected for a 236 sq km area. The control points were visible on both the TMS and MSS imagery. On the first attempt the corresponding image control points were selected on both data sets without using the principal components transformation. Many of the road intersection locations were visible but the actual road crossings could not be distinguished. As a result, mensuration errors using raw data exceeded the equivalent of two (79 x 79 m) pixels. The application of a guided principal components transformation yielded TMS and MSS single band images showing improved detail in the scene's urban and residential infrastructure. The PC transformed data sets were then utilized for the reselection of geometric control points. By shown greater detail, control points on both the TMS and MSS imagery could be located with greater precision using the PC transformed data.

Imhoff, M. L.↗
NASA NTRS1943

Adaptor for Measuring Principal Strains with Tuckerman Strain Gage

An adapter is described which uses three Tuckerman optical strain gages to measure the displacement of the three vortices of an equilateral triangle along lines 120 degrees apart. These displacements are substituted in well-known equations in order to compute the magnitude and direction of the principal strains. Tests of the adaptor indicate that principal strains over a gage length of 1.42 inch may be measured with a systematic error not exceeding 4 percent and a mean observational error of the order of + or minus 0.000006. The maximum observed error in strain was of the order of 0.00006. The directions of principal strains for unidirectional stress were measured with the adaptor with an average error of the order of 1 degree.

INSTRUMENTS-STRAIN GAUGES-RUGE & DE FOREST↗
NASA NTRS2005

Principal Component-Based Radiative Transfer Model (PCRTM) for Hyperspectral Sensors: Theoretical Concept - Part I

Modern infrared satellite sensors such as Atmospheric Infrared Sounder (AIRS), Cosmic Ray Isotope Spectrometer (CrIS), Thermal Emission Spectrometer (TES), Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) and Infrared Atmospheric Sounding Interferometer (IASI) are capable of providing high spatial and spectral resolution infrared spectra. To fully exploit the vast amount of spectral information from these instruments, super fast radiative transfer models are needed. This paper presents a novel radiative transfer model based on principal component analysis. Instead of predicting channel radiance or transmittance spectra directly, the Principal Component-based Radiative Transfer Model (PCRTM) predicts the Principal Component (PC) scores of these quantities. This prediction ability leads to significant savings in computational time. The parameterization of the PCRTM model is derived from properties of PC scores and instrument line shape functions. The PCRTM is very accurate and flexible. Due to its high speed and compressed spectral information format, it has great potential for super fast one-dimensional physical retrievals and for Numerical Weather Prediction (NWP) large volume radiance data assimilation applications. The model has been successfully developed for the National Polar-orbiting Operational Environmental Satellite System Airborne Sounder Testbed - Interferometer (NAST-I) and AIRS instruments. The PCRTM model performs monochromatic radiative transfer calculations and is able to include multiple scattering calculations to account for clouds and aerosols.

Liu, Xu↗
NASA NTRS2016

Determination of Celestial Body Principal Axes via Gravity Field Estimation

The determination of physical parameters of celestial bodies provides critical navigational and scientific information. Determining the mass, rotation state, and density distribution is an important task of the navigation team on an operational mission. One representation of the internal density distribution, spherical harmonics, may be leveraged to compute the orientation of the principal axis frame of the celestial body, which in turn informs the dynamics of the body’s motion. Using data from NASA’s Dawn mission to the massive asteroids (1) Ceres and (4) Vesta, a method is proposed that refines the knowledge of the principal axis frame by utilizing estimated spherical harmonic coefficients. Applying an iterative rotation scheme to the solved-for body-fixed frame leads to convergence on a frame that is very close to the actual dynamical principal axis frame.

Takahashi, Yu↗
DOE OSTI2024

Intermediate Principal Stress Effects on the 3D Cracking Behavior of Flawed Rocks Under True Triaxial Compression

Crack initiation, growth, and coalescence in flawed rocks have been extensively studied for 2D (planar, penetrating) flaws under uniaxial/biaxial compression. However, little is known as to the mechanisms and processes of cracking from 3D flaws under true triaxial compression, where the intermediate principal stress (σ 2 ) is distinguished from the major and minor principal stresses. In this work, we systematically investigate the effects of σ 2 on the 3D cracking behavior of rock specimens with preexisting flaws, through the use of mechanistic simulations of mixed-mode fracture in rocks. We explore how two characteristics of σ 2 , namely, (i) its orientation with respect to the flaw and (ii) its magnitude, affect two aspects of the cracking behavior, namely, (i) the cracking pattern and (ii) the peak stress. Results show that the orientation of σ 2 exerts more control over the cracking pattern than the flaw inclination angle. The peak stress becomes highest when σ 1 is parallel to the flaw, whereas it becomes lowest when σ 2 is parallel to the flaw. Also, the effects of σ 2 magnitude are more significant when σ 2 becomes more oblique to the flaw plane. On the basis of our observations, we propose mechanisms underlying the cracking behavior of 3D flawed rocks under true triaxial compression.

58 GEOSCIENCES↗
DOE OSTI2023

Understanding non-stochiometric deposition of multi-principal elemental NiCoCr thin films

Multi-principal elemental NiCoCr thin films with compositional flexibility have potential applications as a thermal barrier, corrosion-resistant coatings, and functional energy materials. In this study, the non-stochiometric multi-principal element alloy thin film formation behavior from an equiatomic ablation target of NiCoCr using pulsed laser deposition has been reported. Here, the effect of varying laser fluence on compositions of constituent elements in the NiCoCr thin films is systematically investigated. The increase in laser fluence typically increases the likelihood of acquiring undesirable particulates in thin films. Therefore, to maintain the film quality the laser fluences are adjusted within the range of 1.3–3.3 J·cm -2 , while the film thicknesses are kept constant at ~30 nm. Results show that the constituent elements are well-distributed in the formed NiCoCr thin films, however, having average atomic percentages of Ni and Cr twice as high as Co irrespective of the equiatomic composition of individual elements in the ablation target. This stochiometric alteration in the as-deposited thin films is governed by the rate of ablation and subsequent evaporation of each element, which is facilitated by the optical properties and vapor pressure of individual constituent elements. Additionally, electron energy-loss spectroscopy and x-ray absorption spectroscopy analysis reveal that the thin films have partially oxidized, with the Cr oxidation contributing the most to the O-K edge in comparison to Ni and Co. Finally, this study presents a laser-assisted pathway for fabricating compositionally flexible NiCoCr thin films and develops an understanding of the non-equilibrium laser-material interactions and how the intrinsic properties of constituent elements affect the stoichiometric flow of materials from the target to the final film deposition.

36 MATERIALS SCIENCE↗