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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Citric Acid Functionalized Natural Fibers to Enhance Thermal Stability and Moisture Resistance in Polylactic Acid Composites

Cellulosic fibers can impart many unique benefits into composite applications, such as reduced weight or structural reinforcement; however, these materials also increase hygroscopicity and decrease thermal stability, restricting broader applications. The present work adapted an experimental process for functionalizing the cellulose surface using citric acid (CA) for three fibers: a 100% cellulose bleached soft Kraft pulp (e.g., creafill) and two natural fibers with similar composition but different fiber morphology, flax fiber and banana fiber. The process uses CA with a sodium hypophosphite (SHP) catalyst to chemically functionalize fiber surfaces, and the reaction mechanism was investigated through Fourier Transform Infrared Spectroscopy (FTIR), which suggested a grafting mechanism rather than a surface-based crosslinking between neighboring sites. Functionalized fibers were compounded into polylactic acid (PLA) at 20 wt.% to better understand how this functionalization might impact critical performance properties like thermal stability, crystallization, thermal mechanical properties, and water uptake of these composites. The study demonstrated varying levels of efficacy for the functionalization of cellulosic fibers with CA/SHP and the fiber with the most open microstructure, e.g., banana fiber, exhibited the largest change in its properties with a 38% reduction in water uptake compared to untreated banana fiber composites. Parallel evaluation of the functionalization process for different fibers demonstrates the importance of fiber morphology on surface modification and can enable their use in composites by demonstrating the efficacy of this potentially low-cost, low-toxicity method for reducing hygroscopicity and improving thermal stability.

citric acid↗
DOE OSTI2023

Diverse Chemo-Dynamical Properties of Nitrogen-Rich Stars Identified from Low-Resolution Spectra

The second generation of stars in the globular clusters (GCs) of the Milky Way (MW) exhibit unusually high N, Na, or Al, compared to typical Galactic halo stars at similar metallicities. The halo field stars enhanced with such elements are believed to have originated in disrupted GCs or escaped from existing GCs. We identify such stars in the metallicity range –3.0 < [Fe/H] < 0.0 from a sample of ~ 36,800 giant stars observed in the Sloan Digital Sky Survey and Large Sky Area Multi-Object Fiber Spectroscopic Telescope survey, and present their dynamical properties. The N-rich population (NRP) and N-normal population (NNP) among our giant sample do not exhibit similarities in either in their metallicity distribution function (MDF) or dynamical properties. We find that, even though the MDF of the NRP looks similar to that of the MW’s GCs in the range of [Fe/H] < –1.0, our analysis of the dynamical properties does not indicate similarities between them in the same metallicity range, implying that the escaped members from existing GCs may account for a small fraction of our N-rich stars, or the orbits of the present GCs have been altered by the dynamical friction of the MW. We also find a significant increase in the fraction of N-rich stars in the halo field in the very metal-poor (VMP; [Fe/H] < –2.0) regime, comprising up to ~ 20% of the fraction of the N-rich stars below [Fe/H] = –2.5, hinting that partially or fully destroyed VMP GCs may have in some degree contributed to the Galactic halo. A more detailed dynamical analysis of the NRP reveals that our sample of N-rich stars do not share a single common origin. Although a substantial fraction of the N-rich stars seem to originate from the GCs formed in situ, more than 60% of them are not associated with those of typical Galactic populations, but probably have extragalactic origins associated with Gaia Sausage/Enceladus, Sequoia, and Sagittarius dwarf galaxies, as well as with presently unrecognized progenitors.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1966

Liapunov's second method

Stability theorem based on Liapunov function, and using invariance property of limit sets of solutions to differential equations

THEOREM PROVING↗
DOE OSTI2021

Challenges for density functional theory: calculation of CO adsorption on electrocatalytically relevant metals

Density Functional Theory (DFT) is currently the most tractable choice of theoretical model used to understand the mechanistic pathways for electrocatalytic processes such as CO 2 or CO reduction. In this work, we assess the performance of two DFT functionals designed specifically to describe surface interactions, RTPSS and RPBE, as well as two popular meta-GGA functionals, SCAN and B97M-rV, that have not been a priori optimized for better interfacial properties. We assess all four functionals against available experimental data for prediction of bulk and bare surface properties on four electrocatalytically relevant metals, Au, Ag, Cu, and Pt, and for binding CO to surfaces of these metals. To partially mitigate issues such as thermal and anharmonic corrections associated with comparing computations with experiments, molecular benchmarks against high level quantum chemistry are reported for CO complexes with Au, Ag, Cu and Pt atoms, as well as the CO–water complex and the water dimer. Overall, we find that the surface modified RPBE functional performs reliably for many of the benchmarks examined here, and the meta-GGA functionals also show promising results. Specifically B97M-rV predicts the correct site preference for CO binding on Ag and Au (the only functional tested here to do so), while RTPSS performs well for surface relaxations and binding of CO on Pt and Cu.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

A class of nonideal solutions. 1: Definition and properties

A class of nonideal solutions is defined by constructing a function to represent the composition dependence of thermodynamic properties for members of the class, and some properties of these solutions are studied. The constructed function has several useful features: (1) its parameters occur linearly; (2) it contains a logarithmic singularity in the dilute solution region and contains ideal solutions and regular solutions as special cases; and (3) it is applicable to N-ary systems and reduces to M-ary systems (M or = N) in a form-invariant manner.

Zeleznik, F. J.↗
DOE OSTI2024

Optical properties of semiconductor nanoparticles doped with 3d and 4f block elements

Doped inorganic nanoparticles (NPs) have enabled researchers across multiple disciplines to create new materials with unique optical, electronic, magnetic, electrical, chemical, and/or compositional properties. In the quest for generating newer functional materials with controlled optical and electronic properties, the use of d- and f-block elements as dopants in the inorganic NPs remain at the forefront of research. This article summarizes experiments that identify the important control parameters, in the form of NP core and surface properties, for promoting host-sensitized dopant emission from d- and f-doped inorganic/semiconductor NPs. We conclude that energy offsets between the dopant and NP electronic levels and an understanding of the charge trapping mechanisms can be used to predict dopant luminescence, and we claim that these features can be used to choose NP host materials by design, rather than by trial and error.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Analysis of Vegetation Within A Semi-Arid Urban Environment Using High Spatial Resolution Airborne Thermal Infrared Remote Sensing Data

High spatial resolution (5 m) remote sensing data obtained using the airborne Thermal Infrared Multispectral Scanner (TIMS) sensor for daytime and nighttime have been used to measure thermal energy responses for 2 broad classes and 10 subclasses of vegetation typical of the Salt Lake City, Utah urban landscape. Polygons representing discrete areas corresponding to the 10 subclasses of vegetation types have been delineated from the remote sensing data and are used for analysis of upwelling thermal energy for day, night, and the change in response between day and night or flux, as measured by the TIMS. These data have been used to produce three-dimensional graphs of energy responses in W/ sq m for day, night, and flux, for each urban vegetation land cover as measured by each of the six channels of the TIMS sensor. Analysis of these graphs provides a unique perspective for both viewing and understanding thermal responses, as recorded by the TIMS, for selected vegetation types common to Salt Lake City. A descriptive interpretation is given for each of the day, night, and flux graphs along with an analysis of what the patterns mean in reference to the thermal properties of the vegetation types surveyed in this study. From analyses of these graphs, it is apparent that thermal responses for vegetation can be highly varied as a function of the biophysical properties of the vegetation itself, as well as other factors. Moreover, it is also seen where vegetation, particularly trees, has a significant influence on damping or mitigating the amount of thermal radiation upwelling into the atmosphere across the Salt Lake City urban landscape. Published by Elsevier Science Ltd.

Quattrochi, Dale A.↗
NASA NTRS2004

Theoretical Investigation of OCN(-) Charge Transfer Complexes in Condensed Phase Media: Spectroscopic Properties in Amorphous Ice

Density functional theory (DFT) calculations of cyanate (OCN(-)) charge-transfer complexes were performed to model the "XCN" feature observed in interstellar icy grain mantles. OCN(-) charge-transfer complexes were formed from precursor combinations of HNCO or HOCN with either NH3 or H2O. Three different solvation strategies for realistically modeling the ice matrix environment were explored, including (1) continuum solvation, (2) pure DFT cluster calculations, and (3) an ONIOM DFT/PM3 cluster calculation. The model complexes were evaluated by their ability to reproduce seven spectroscopic measurements associated with XCN: the band origin of the OCN(-) asymmetric stretching mode, shifts in that frequency due to isotopic substitutions of C, N, O, and H, plus two weak features. The continuum solvent field method produced results consistent with some of the experimental data but failed to account for other behavior due to its limited capacity to describe molecular interactions with solvent. DFT cluster calculations successfully reproduced the available spectroscopic measurements very well. In particular, the deuterium shift showed excellent agreement in complexes where OCN(-) was fully solvated. Detailed studies of representative complexes including from two to twelve water molecules allowed the exploration of various possible solvation structures and provided insights into solvation trends. Moreover, complexes arising from cyanic or isocyanic acid in pure water suggested an alternative mechanism for the formation of OCN(-) charge-transfer complexes without the need for a strong base such as NH3 to be present. An extended ONIOM (B3LYP/PM3) cluster calculation was also performed to assess the impact of a more realistic environment on HNCO dissociation in pure water.

Park, Jin-Young↗
NASA NTRSDate not supplied

High-precision predictions of properties of chemically disordered crystals

Multiple scattering theory (MST) combined with density functional theory (DFT) allows to predict properties of chemically disordered materials from the first principles. However, such predictions often suffer from the systematic errors, which depend on crystal geometry. Each computed property of a particular crystal structure typically has a relatively small random error and a larger systematic error. Cancellation of systematic errors allows more accurate predictions. We propose a computational methodology based on the subtraction of the systematic errors in MST. To exemplify it, we apply it to the precipitated alloys. Considering precipitation strengthening in Ni superalloys, we compute the relative enthalpies of the competing Ni3(Al,Ti)1 crystal structures with a chemical disorder on the Al+Ti sublattice. Such predicted composition-structure-property dependencies are useful for the guided design of the next-generation alloys with improved strength. Our predictions are validated by comparison with the results of other DFT methods (having a higher computational cost) and with experiment. We acknowledge funding of the guided design of stronger superalloys for airspace by NASA Aeronautics Research Mission Directorate (ARMD) via Transformational Tools and Technologies (TTT) Project.

Computational↗
NASA NTRS2002

Laboratory Studies of the Optical Properties and Condensation Processes of Cosmic Dust Particles

A laboratory facility for levitating single isolated dust particles in an electrodynamics balance has been developing at NASA/Marshall Space Flight Center for conducting a variety of experimental, of astrophysical interest. The objective of this research is to employ this innovative experimental technique for studies of the physical and optical properties of the analogs of cosmic grains of 0.2-10 micron size in a chamber with controlled pressure/temperatures simulating astrophysical environments. In particular, we will carry out three classes of experiments to investigate the microphysics of the analogs of interstellar and interplanetary dust grains. (1) Charge characteristics of micron size single dust grains to determine the photoelectric efficiencies, yields, and equilibrium potentials when exposed to UV radiation. These measurements will provide the much-needed photoelectric emission data relating to individual particles as opposed to that for the bulk materials available so far. (2) Infrared optical properties of dust particles obtained by irradiating the particles with radiation from tunable infrared diode lasers and measuring the scattered radiation. Specifically, the complex refractive indices, the extinction coefficients, the scattering phase functions, and the polarization properties of single dust grains of interest in interstellar environments, in the 1-25 micron spectral region will be determined. (3) Condensation experiments to investigate the deposition of volatile gases on colder nucleated particles in dense interstellar clouds and lower planetary atmospheres. The increase in the mass or m/q ratio due to condensation on the particle will be monitored as a function of the dust particle temperature and the partial pressure of the injected volatile gas. The measured data wild permit determination of the sticking efficiencies of volatile gases of astrophysical interest. Preliminary results based on photoelectric emission experiments on 0.2-6.6 micron size silica particles exposed to UV radiation in the 120-200 nm spectral region will be presented.

Abbas, Mian M.↗
NASA NTRS1938

The Crinkling Strength and the Bending Strength of Round Aircraft Tubing

The upper limit of the column strength of structural members composed of thin material is the maximum axial stress such members can carry when short enough to fail locally, by crinkling. This stress is a function of the mechanical properties of the material and of the geometrical shape of the cross section. The bending strength, as measured by the modulus of rupture, of structural members is also a function of these same variables. Tests were made of round tubes of chromium-molybdenum steel and of duralumin to determine the crinkling strengths and the bending strengths in terms of the specified yield strength and the ratio of diameter to thickness. Empirical formulas are given relating these quantities.

Osgood, William R↗
DOE OSTI2020

Measurement of $\mathrm{t\bar t}$ normalised multi-differential cross sections in pp collisions at $\sqrt s=13$ TeV, and simultaneous determination of the strong coupling strength, top quark pole mass, and parton distribution functions

Normalised multi-differential cross sections for top quark pair ($\mathrm{t\overline{t}}$) production are measured in proton-proton collisions at a centre-of-mass energy of 13 TeV using events containing two oppositely charged leptons. The analysed data were recorded with the CMS detector in 2016 and correspond to an integrated luminosity of 35.9 fb$^{-1}$. The double-differential $\mathrm{t\overline{t}}$ cross section is measured as a function of the kinematic properties of the top quark and of the $\mathrm{t\overline{t}}$ system at parton level in the full phase space. A triple-differential measurement is performed as a function of the invariant mass and rapidity of the $\mathrm{t\overline{t}}$ system and the multiplicity of additional jets at particle level. The data are compared to predictions of Monte Carlo event generators that complement next-to-leading-order (NLO) quantum chromodynamics (QCD) calculations with parton showers. Together with a fixed-order NLO QCD calculation, the triple-differential measurement is used to extract values of the strong coupling strength $\alpha_S$ and the top quark pole mass ($m_\mathrm{T}^\text{pole}$) using several sets of parton distribution functions (PDFs). Furthermore, a simultaneous fit of the PDFs, $\alpha_S$, and $m_\mathrm{T}^\text{pole}$ is performed at NLO, demonstrating that the new data have significant impact on the gluon PDF, and at the same time allow an accurate determination of $\alpha_S$ and $m_\mathrm{T}^\text{pole}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The MASSIVE Survey. XVI. The Stellar Initial Mass Function in the Center of MASSIVE Early-type Galaxies

The stellar initial mass function (IMF) is a fundamental property in the measurement of stellar masses and galaxy star formation histories. In this work, we focus on the most massive galaxies in the nearby universe $\mathrm{log}({M}_{\star }/\,{M}_{\odot })\gt 11.2$. We obtain high-quality Magellan/LDSS-3 long-slit spectroscopy with a wide wavelength coverage of 0.4–1.01 μm for 41 early-type galaxies (ETGs) in the MASSIVE survey and derive high signal-to-noise spectra within an aperture of R e /8. Using detailed stellar synthesis models, we constrain the elemental abundances and stellar IMF of each galaxy through full spectral modeling. All the ETGs in our sample have an IMF that is steeper than a Milky Way (Kroupa) IMF. The best-fit IMF mismatch parameter, α IMF = (M/L)/(M/L) MW , ranges from 1.1 to 3.1, with an average of $\langle$α IMF $\rangle$ = 1.84, suggesting that on average, the IMF is more bottom heavy than Salpeter. Comparing the estimated stellar masses with the dynamical masses, we find that most galaxies have stellar masses that are smaller than their dynamical masses within the 1σ uncertainty. We complement our sample with lower-mass galaxies from the literature and confirm that $\mathrm{log}({\alpha }_{\mathrm{IMF}})$ is positively correlated with $\mathrm{log}(\sigma )$, $\mathrm{log}({M}_{\star })$, and $\mathrm{log}({M}_{\mathrm{dyn}})$. From the combined sample, we show that the IMF in the centers of more massive ETGs is more bottom heavy. In addition, we find that $\mathrm{log}({\alpha }_{\mathrm{IMF}})$ is positively correlated with both [Mg/Fe] and the estimated total metallicity [Z/H]. We find suggestive evidence that the effective stellar surface density Σ Kroupa might be responsible for the variation of α IMF . We conclude that σ, [Mg/Fe], and [Z/H] are the primary drivers of the global stellar IMF variation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

Synthesis of feedback systems with large plant ignorance for prescribed time domain tolerances

There is given a minimum-phase plant transfer function, with prescribed bounds on its parameter values. The plant is imbedded in a two-degree-of freedom feedback system, which is to be designed such that the system time response to a deterministic input lies within specified boundaries. Subject to the above, the design should be such as to minimize the effect of sensor noise at the input to the plant. This report presents a design procedure for this purpose, based on frequency response concepts. The time-domain tolerances are translated into equivalent frequency response tolerances. The latter lead to bounds on the loop transmission function in the form of continuous curves on the Nichols chart. The properties of the loop transmission function which satisfy these bounds with minimum effect of sensor noise, are derived.

Horowitz, I. M.↗
NASA NTRS1978

An engineering approach to the prediction of fatigue behavior of unnotched/notched fiber reinforced composite laminates

An engineering approach is proposed for predicting unnotched/notched laminate fatigue behavior from basic lamina fatigue data. The fatigue analysis procedure was used to determine the laminate property (strength/stiffness) degradation as a function of fatigue cycles in uniaxial tension and in plane shear. These properties were then introduced into the failure model for a notched laminate to obtain damage growth, residual strength, and failure mode. The approach is thus essentially a combination of the cumulative damage accumulation (akin to the Miner-Palmgren hypothesis and its derivatives) and the damage growth rate (similar to the fracture mechanics approach) philosophies. An analysis/experiment correlation appears to confirm the basic postulates of material wearout and the predictability of laminate fatigue properties from lamina fatigue data.

Kulkarni, S. V.↗
NASA NTRS1997

Quadrature, Interpolation and Observability

Methods of interpolation and quadrature have been used for over 300 years. Improvements in the techniques have been made by many, most notably by Gauss, whose technique applied to polynomials is referred to as Gaussian Quadrature. Stieltjes extended Gauss's method to certain non-polynomial functions as early as 1884. Conditions that guarantee the existence of quadrature formulas for certain collections of functions were studied by Tchebycheff, and his work was extended by others. Today, a class of functions which satisfies these conditions is called a Tchebycheff System. This thesis contains the definition of a Tchebycheff System, along with the theorems, proofs, and definitions necessary to guarantee the existence of quadrature formulas for such systems. Solutions of discretely observable linear control systems are of particular interest, and observability with respect to a given output function is defined. The output function is written as a linear combination of a collection of orthonormal functions. Orthonormal functions are defined, and their properties are discussed. The technique for evaluating the coefficients in the output function involves evaluating the definite integral of functions which can be shown to form a Tchebycheff system. Therefore, quadrature formulas for these integrals exist, and in many cases are known. The technique given is useful in cases where the method of direct calculation is unstable. The condition number of a matrix is defined and shown to be an indication of the the degree to which perturbations in data affect the accuracy of the solution. In special cases, the number of data points required for direct calculation is the same as the number required by the method presented in this thesis. But the method is shown to require more data points in other cases. A lower bound for the number of data points required is given.

Hodges, Lucille McDaniel↗
NASA NTRS2008

Stochastic Transport Theory for Investigating the Three-Dimensional Canopy Structure from Space Measurements

Radiation reflected from vegetation canopies exhibits high spatial variation. Satellite-borne sensors measure the mean intensities emanating from heterogeneous vegetated pixels. The theory of radiative transfer in stochastic media provides the most logical linkage between satellite observations and the three-dimensional canopy structure through a closed system of simple equations which contains the mean intensity and higher statistical moments directly as its unknowns. Although this theory has been a highly active research field in recent years, its potential for satellite remote sensing of vegetated surfaces has not been fully realized because of the lack of models of a canopy pair-correlation function that the stochastic radiative transfer equations require. The pair correlation function is defined as the probability of finding simultaneously phytoelements at two points. This paper presents analytical and Monte Carlo generated pair correlation functions. Theoretical and numerical analyses show that the spatial correlation between phytoelements is primarily responsible for the effects of the three-dimensional canopy structure on canopy reflective and absorptive properties. The pair correlation function, therefore, is the most natural and physically meaningful measure of the canopy structure over a wide range of scales. The stochastic radiative transfer equations naturally admit this measure and thus provide a powerful means to investigate the three-dimensional canopy structure from space. Canopy reflectances predicted by the stochastic equations are assessed by comparisons with the PARABOLA measurements from coniferous and broadleaf forest stands in the BOREAS Southern Study Areas. The pair correlation functions are derived from data on tree structural parameters collected during field campaigns conducted at these sites. The simulated canopy reflectances compare well with the PARABOLA data.

Huang, Dong↗