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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Characterization data of an (AlFeNiTiVZr) 1-x Cr x multi-principal element alloy continuous composition spread library

The data provided in this article is related to the research article entitled “Phase stabilization and oxidation of a continuous composition spread multi-principal element (AlFeNiTiVZr) 1-x Cr x alloy”. This data article describes the high-throughput synthesis and characterization processes of an (AlFeNiTiVZr) 1-x Cr x alloy system. Continuous composition spread (CCS) thin-film libraries were synthesized by co-depositing an AlFeNiTiVZr metal alloy target and Cr target via magnetron sputtering. Post-processing was performed on the sample libraries with a vacuum anneal at 873 K and an air anneal at 873 K. Compositional data was determined via WDS in order to verify parameters provided by an in-house sputter model. Crystallographic data was captured via synchrotron diffraction and diffractograms were compared as a function of the change in Cr concentration. These measurements were taken in order to observe phase behavior after oxidation throughout the composition library. Furthermore, vibrational spectrographic data is provided of the oxidized library to show surface speciation along the composition gradient of the alloy system. The structural and oxidative behavior of the (AlFeNiTiVZr) 1-x Cr x alloy can be analysed using the data provided in this article. Additionally, this characterization dataset can be utilized in machine learning algorithms for determining important features and parameters for future hypothesis generation of functional multi-principal element alloys (MPEAs).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Nanoscale fluctuation of stacking fault energy strengthens multi-principal element alloys

Chemical randomness and the associated energy fluctuation are essential features of multi-principal element alloys (MPEAs). Due to these features, nanoscale stacking fault energy (SFE) fluctuation is a natural and independent contribution to strengthening MPEAs. However, existing models for conventional alloys (i.e., alloys with one principal element) cannot be applied to MPEAs. The extreme values of SFEs required by such models are unknown for MPEAs, which need to calculate the nanoscale volume relevant to the SFE fluctuation. In the present work, we developed an analytic model to evaluate the strengthening effect through the SFE fluctuation, profuse in MPEAs. The model has no adjustable parameters, and all parameters can be determined from experiments and ab initio calculations. Further, this model explains available experimental observations and provides insightful guidance for designing new MPEAs based on the SFE fluctuation. It generally applies to MPEAs in random states and with chemical short-range order.

36 MATERIALS SCIENCE↗
NASA NTRS2013

A Fast and Sensitive New Satellite SO2 Retrieval Algorithm based on Principal Component Analysis: Application to the Ozone Monitoring Instrument

We describe a new algorithm to retrieve SO2 from satellite-measured hyperspectral radiances. We employ the principal component analysis technique in regions with no significant SO2 to capture radiance variability caused by both physical processes (e.g., Rayleigh and Raman scattering and ozone absorption) and measurement artifacts. We use the resulting principal components and SO2 Jacobians calculated with a radiative transfer model to directly estimate SO2 vertical column density in one step. Application to the Ozone Monitoring Instrument (OMI) radiance spectra in 310.5-340 nm demonstrates that this approach can greatly reduce biases in the operational OMI product and decrease the noise by a factor of 2, providing greater sensitivity to anthropogenic emissions. The new algorithm is fast, eliminates the need for instrument-specific radiance correction schemes, and can be easily adapted to other sensors. These attributes make it a promising technique for producing longterm, consistent SO2 records for air quality and climate research.

Principal component analysis↗
DOE OSTI2026

Mechanical Behavior of Neutron Irradiated Refractory Multi-Principal Element Alloys Processed via Spark Plasma Sintering

The search for advanced materials capable of withstanding the extreme conditions of Generation IV reactors is a critical area in materials science research. These reactors operate under severe environments, including high temperatures, corrosion, stress, and irradiation damage. Consequently, there is a need for innovative alloy systems to ensure the reliability and longevity of proposed Generation IV reactor components. Refractory multi-principal-element alloys (RMPEA) have emerged as a promising candidate due to their exceptional properties. These alloys, characterized by their composition of multiple principal elements in near-equiatomic ratios, exhibit superior resistance to irradiation damage, reduced void swelling, enhanced microstructural stability, and minimal irradiation-induced hardening. While initial studies on RMPEAs have shown promising results, most research has been limited to thin films, nanocrystalline microstructures, and ion irradiation, which do not accurately represent the behavior of bulk materials. To address this gap, our research focused on the neutron irradiation of bulk RMPEAs. We aim to conduct comprehensive post-irradiation examinations (PIE) of RMPEAs irradiated at the Advanced Test Reactor at Idaho National Laboratory. The RMPEAs were synthesized using spark plasma sintering (SPS) with mechanically alloyed metallurgical powder. The RMPEA specimens are a MoNbTi alloy system with additions of -Zr, and -ZrV. Furthermore, PIE consisted of mechanical testing and advanced materials characterization. The mechanical testing consisted of sub-sized tensile testing, micro- and nano- indentation. Microstructural characterization included scanning electron microscopy and transmission electron microscopy. Mechanical testing coupled with advanced microscopy techniques provides insight into phase morphology and its effects on the mechanical properties of the RMPEA specimens. The results indicate that both pristine and irradiated RMPEA specimens exhibited brittle behavior during tensile testing, which can be attributed to their heterogeneous microstructure. The SPS manufacturing process did not include any post treatment, which resulted in a heterogeneous microstructure. Energy-dispersive X-ray spectroscopy revealed the presence of intermetallic such as laves phases within the microstructure. Specifically, Ti-rich precipitates were observed in the MoNbTi specimen, while Mo-rich precipitates were found in the MoNbTiZrV specimen. Nano-hardness testing of pristine samples showed that the laves phases exhibited higher hardness values compared to the matrix phase, suggesting that precipitate hardening is likely the dominant hardening mechanism in these specimens. The results from this work will be used to build a finite element model to predict mechanical behavior of future MPEA compositions. Thus, enabling for a streamlined approach to developing novel MPEAs for the nuclear industry.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

MoNbTi-based Refractory Multi-principal Element Alloy System: A Review of the Thermodynamic Phase Predictions, Formed Microstructures, and Mechanical Properties as a Function of the Fabrication Methods (AM versus SPS versus VAM)

Abstract Multi-principal element alloys, particularly of refractory compositions, are an increasingly popular candidate for extreme-environment applications, including for next-generation nuclear reactors and in other industries, such as biomedical and aerospace, due to their high strength. The ability to achieve solid-solution microstructures provides these alloys with improved mechanical properties; however, these microstructures are heavily composition- and processing-dependent. In this review, the multi-principal element alloy MoNbTi-based system (with Zr, V, and Cr additions) was selected to compare the effects of elemental composition and processing route on the resulting microstructures and mechanical properties. The review provides insight into identifying the optimal alloy composition and processing route for a balance of desired microstructure and mechanical properties.

Krogh, Kara↗
DOE OSTI2024

Principal Landau determinants

We reformulate the Landau analysis of Feynman integrals with the aim of advancing the state of the art in modern particle-physics computations. We contribute new algorithms for computing Landau singularities, using tools from polyhedral geometry and symbolic/numerical elimination. Inspired by the work of Gelfand, Kapranov, and Zelevinsky (GKZ) on generalized Euler integrals, we define the principal Landau determinant of a Feynman diagram. We illustrate with a number of examples that this algebraic formalism allows to compute many components of the Landau singular locus. We adapt the GKZ framework by carefully specializing Euler integrals to Feynman integrals. For instance, ultraviolet and infrared singularities are detected as irreducible components of an incidence variety, which project dominantly to the kinematic space. We compute principal Landau determinants for the infinite families of one-loop and banana diagrams with different mass configurations, and for a range of cutting-edge Standard Model processes. Furthermore, our algorithms build on the Julia package this http URL and are implemented in the new open-source package this http URL available at this https URL.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Violation of the Cauchy–Born rule in multi-principal element alloys

Multi-principal element alloys are a novel class of materials that are formed by combining multiple elements in high concentrations and show exceptional properties compared to conventional alloys. These alloys have high configurational entropy due to inherent atomic disorder. The Cauchy–Born rule is a popular homogenization method for linking atomistic to continuum length scales. In this Letter, we use ab initio density functional theory calculations to report that the Cauchy–Born rule, which holds in conventional alloys in the absence of defects, is not valid in multi-principal element alloys. Further, the violation of the Cauchy–Born rule in these alloys is attributed to the presence of atomic disorder due to which the deformations are inhomogeneous. Our results also show the deviations in deformation are related to the magnitude of the stretch and shear by power laws.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Diffuse Reflectance Spectroscopy and Principal Component Analysis to Retrospectively Determine Production History of Plutonium Dioxide

Diffuse reflectance spectroscopy measurements in the shortwave infrared (930–1600 nm) spectral region were acquired for Pu 2 (C 2 O 4 ) 3 •9H 2 O and its thermal decomposition product, PuO 2 . We analyzed a total of eight PuO 2 samples that were produced at different calcination temperatures (300, 350, 450, 525, 600, 675, 750, and 900 °C). Our goal was to identify spectroscopic fingerprints that could be used to gain retrospective information regarding the production parameters of these important nuclear compounds. The diffuse reflectance spectrum of Pu 2 (C 2 O 4 ) 3 •9H 2 O features several broad bands that currently preclude detailed analysis. However, all PuO 2 samples produced relatively sharp spectral features that got sharper and more intense for samples that were produced at higher calcination temperatures. The electronic band observed at 1433 nm in the diffuse reflectance spectra of PuO 2 was found to be a sensitive indicator of crystallinity; a result that is corroborated by ancillary Raman spectroscopy measurements. Principal component analysis of diffuse reflectance spectra was able to clearly rank and categorize PuO 2 samples based on the calcination temperature that was employed during their production. Thus, we show herein that important retrospective information pertaining to the process history of PuO 2 can be gained through the relatively simplistic combination of diffuse reflectance spectroscopy and principal component analysis. This discovery presents a new method for determining the provenance and process history of PuO 2 and should have an impact in the fields of nuclear forensics and nuclear nonproliferation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Ten Simple Rules to becoming a principal investigator

The biggest choke point in an academic career is going from postdoc to principal investigator (PI), moving from doing someone else’s research to getting other people to do yours. It is not an easy transition, draws on few of the skills you learn at the bench and the odds are clearly not ever in your favour. So calling this article ten simple rules is obviously a simplification: it is more accurate to call them ten tricky steps. In this article, we use Principal Investigator to mean anyone who runs their own research group, using funding that they have been awarded to answer their own questions. PI encompasses a number of different job titles depending on where the research is performed – fellow, lecturer, associate professor, senior scientist. The acid test is whether you can describe the people working for you as the X group, where X is your surname. The normal route from undergraduate to lab head involves a PhD, one or most postdoc positions and then PI. Given the diversity of ways to be a PI, the final step up from postdoc takes a number of forms – in the UK this tends to be either an individual fellowship or a lecturer position, in the US it generally starts with an independent position with associated funding – either as a startup package or funded grant. The aim of this article is to identify some of the broader skills (rules 1-4) and behaviours (rules 5-10) that can help with becoming a PI. They are meant as advice, not instruction. As you will see, most of them are soft/ leadership skills, which can as easily be applied to the world outside academia as within it.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Inhibited Surface Diffusion in Nanoporous Multi-Principal Element Alloy Thin Films Prepared by Vacuum Thermal Dealloying

Nanoporous structures with 3D interconnected networks are traditionally made by dealloying a binary precursor. Certain approaches for fabricating these materials have been applied to refractory multi-principal element alloys (RMPEAs), which can be suitable candidates for high-temperature applications. In this study, nanoporous refractory multi-principal element alloys (np-RMPEAs) were fabricated from magnesium-based thin films (VMoNbTaMg) that had been prepared by magnetron sputtering. Vacuum thermal dealloying (VTD), which involves sublimation of a higher vapor pressure element, is a novel technique for synthesizing nanoporous refractory elements that are prone to oxidation. When VMoNbTaMg was heated under vacuum, a nanoporous structure was created by the sublimation of the highest vapor pressure element (Mg). X-ray photoelectron spectroscopy depth profiling indicated significantly less ligament oxidation during VTD as compared to traditional dealloying methods. Furthermore, np-RMPEAs exhibited outstanding stability against coarsening, retaining smaller ligaments (~25 nm) at elevated temperature (700 °C) for a prolonged period (48 h).

Das Gupta, Tibra (ORCID:0000000317103025)↗
DOE OSTI2024

Extrapolation of Type Ia Supernova Spectra into the Near-infrared Using Principal Component Analysis

Abstract We present a method of extrapolating the spectroscopic behavior of Type Ia supernovae (SNe Ia) in the near-infrared (NIR) wavelength regime up to 2.30 μ m using optical spectroscopy. Such a process is useful for accurately estimating K-corrections and other photometric quantities of SNe Ia in the NIR. A principal component analysis is performed on data consisting of Carnegie Supernova Project I & II optical and NIR FIRE spectra to produce models capable of making these extrapolations. This method differs from previous spectral template methods by not parameterizing models strictly by photometric light-curve properties of SNe Ia, allowing for more flexibility of the resulting extrapolated NIR flux. A difference of around −3.1% to −2.7% in the total integrated NIR flux between these extrapolations and the observations is seen here for most test cases including Branch core-normal and shallow-silicon subtypes. However, larger deviations from the observation are found for other tests, likely due to the limited high-velocity and broad-line SNe Ia in the training sample. Maximum-light principal components are shown to allow for spectroscopic predictions of the color-stretch light-curve parameter, s BV , within approximately ±0.1 units of the value measured with photometry. We also show these results compare well with NIR templates, although in most cases the templates are marginally more fitting to observations, illustrating a need for more concurrent optical+NIR spectroscopic observations to truly understand the diversity of SNe Ia in the NIR.

Astronomy & Astrophysics↗
NASA NTRS1973

Principal axes and moments of inertia of deformable systems

Information about principal axes and moments of inertia is presented in terms of formulas involving solely quantities which can be expressed in literal form whenever central principal axes can be located by inspection for at least one state of a deformable system composed of particles and rigid bodies. Two illustrative examples are worked out in detail.

Kane, T. R.↗
NASA NTRS1977

A reduction in ag/residential signature conflict using principal components analysis of LANDSAT temporal data

Methods to accurately delineate the types of land cover in the urban-rural transition zone of metropolitan areas were considered. The application of principal components analysis to multidate LANDSAT imagery was investigated as a means of reducing the overlap between residential and agricultural spectral signatures. The statistical concepts of principal components analysis were discussed, as well as the results of this analysis when applied to multidate LANDSAT imagery of the Washington, D.C. metropolitan area.

Williams, D. L.↗
NASA NTRS1977

A reduction in ag./residential signature conflict using principal components analysis of Landsat temporal data

One important objective of a cooperative project between the U.S. Bureau of Census and NASA is to develop the ability to accurately delineate the types of land cover in the urban-rural transition zone of metropolitan areas. The application of principal components analysis to multidate Landsat imagery is being investigated as a method of reducing the overlap between residential and agricultural spectral signatures. The statistical concepts of principal components analysis are discussed, as well as the results of this analysis when applied to multidate Landsat imagery of the Washington, D.C. metropolitan area.

Williams, D. L.↗
NASA NTRS1981

Principal normal curvature of surfaces

Certain principal normal curvatures of differential geometry were developed for use in curvature matrices associated with the asymptotic solution of electromagnetic diffraction problems. The effort is directed toward microwave antenna simulations and high speed digital computer analysis of radiometric instruments used to obtain soil moisture, sea state, salinity and temperature data. It is shown that the methods used to develop the principal normal curvatures for paraboloid, hyperboloid, ellipsoid, sphere, and cone can be applied to other radiometer geometries such as the parabolic torus, even though the surface parameterizations are different. It is concluded that deployable offset geometries, distorted by rotational forces and solar loads may be analyzed by similar means given a suitable surface description.

Schmidt, R. F.↗
NASA NTRS1981

Atmospheric neutral points outside of the principal plane

It is noted that the positions in the sky where the skylight is unpolarized, that is, the neutral points, are in most cases located in the vertical plane through the sun (the principal plane). Points have been observed outside the principal plane (Soret, 1888) when the plane intersected a lake or sea. Here, the neutral points were located at an azimuth of about 15 deg from the sun and near the almucantar through the sun. In order to investigate the effects of water surface and aerosols in the neutral point positions, the positions are computed for models of the earth-atmosphere system that simulate the observational conditions. The computed and measured positions are found to agree well. While previous observations provided only qualitative information on the degree of polarization, it is noted that the computations provide details concerning the polarization parameters.

Fraser, R. S.↗
NASA NTRS1991

The earth's equatorial principal axes and moments of inertia

The earth's equatorial principal moments of inertia are given as A and B, where A is less than B, and the corresponding principal axes are given as a and b. Explicit formulas are derived for determining the orientation of a and b axes and the difference B - A using C(22) and S(22), the two gravitational harmonic coefficients of degree 2 and order 2. For the earth, the a axis lies along the (14.93 deg W, 165.07 deg E) diameter, and the b axis lies perpendicular to it along the (75.07 deg E, 104.93 deg W) diameter. The difference B - A is 7.260 x 10 to the -6th MR2. These quantities for other planets are contrasted, and geophysical implications are discussed.

Liu, H. S.↗
NASA NTRS1992

Goniometric measurements of light scattered in the principal plane from leaves

A laboratory goniometer was designed and built by NASA for acquiring bidirectional scattering data in the principal plane from leaves. Goniometric measurements were taken on individual tree leaves of yellow poplar, red maple, and red oak. Reflectance measurements were taken every 5* and transmittance measurements every 10 in the principal plane. The results indicate that light reflected from leaves usually has a significant specular component. Reflectances measured for 60 incident angle were the most specular. The most isotropic scattering occurred with transmitted light and with 0 incident light reflected from the abaxial surface. The most significant difference observed between the species was due to the heavy wax layer found on the abaxial surface of red oak, which caused the abaxial reflectance to be more specular than it was in the other two species.

Brakke, Thomas W.↗