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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Infrared Spectroscopy as a Chemical Fingerprinting Tool

Infrared (IR) spectroscopy is a powerful analytical tool in the chemical fingerprinting of materials. Any sample material that will interact with infrared light produces a spectrum and, although normally associated with organic materials, inorganic compounds may also be infrared active. The technique is rapid, reproducible and usually non-invasive to the sample. That it is non-invasive allows for additional characterization of the original material using other analytical techniques including thermal analysis and RAMAN spectroscopic techniques. With the appropriate accessories, the technique can be used to examine samples in liquid, solid or gas phase. Both aqueous and non-aqueous free-flowing solutions can be analyzed, as can viscous liquids such as heavy oils and greases. Solid samples of varying sizes and shapes may also be examined and with the addition of microscopic IR (microspectroscopy) capabilities, minute materials such as single fibers and threads may be analyzed. With the addition of appropriate software, microspectroscopy can be used for automated discrete point or compositional surface area mapping, with the latter providing a means to record changes in the chemical composition of a material surface over a defined area. Due to the ability to characterize gaseous samples, IR spectroscopy can also be coupled with thermal processes such as thermogravimetric (TG) analyses to provide both thermal and chemical data in a single run. In this configuration, solids (or liquids) heated in a TG analyzer undergo decomposition, with the evolving gases directed into the IR spectrometer. Thus, information is provided on the thermal properties of a material and the order in which its chemical constituents are broken down during incremental heating. Specific examples of these varied applications will be cited, with data interpretation and method limitations further discussed.

Huff, Timothy L.↗
DOE OSTI2021

Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy

Accurately simulating the linear and nonlinear electronic spectra of condensed phase systems and accounting for all physical phenomena contributing to spectral line shapes presents a significant challenge. Vibronic transitions can be captured through a harmonic model generated from the normal modes of a chromophore, but it is challenging to also include the effects of specific chromophore–environment interactions within such a model. We work to overcome this limitation by combining approaches to account for both explicit environment interactions and vibronic couplings for simulating both linear and nonlinear optical spectra. We present and show results for three approaches of varying computational cost for combining ensemble sampling of chromophore–environment configurations with Franck–Condon line shapes for simulating linear spectra. We present two analogous approaches for nonlinear spectra. Simulated absorption spectra and two-dimensional electronic spectra (2DES) are presented for the Nile red chromophore in different solvent environments. Furthermore, employing an average Franck–Condon or 2DES line shape appears to be a promising method for simulating linear and nonlinear spectroscopy for a chromophore in the condensed phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of diffusion constant on the morphology of dendrite growth in lithium metal batteries

Lithium dendrites can lead to a short circuit and battery failure, and developing strategies for their suppression is of considerable importance. In this work, we study the growth of dendrites in a simple model system where the solvent is a continuum and the lithium ions are hard spheres that can deposit by sticking to existing spheres or the electrode surface. Using stochastic dynamics simulations, we investigate the effect of applied voltage and diffusion constant on the growth of dendrites. We find that the diffusion constant is the most significant factor, and the inhomogeneity of the electric field does not play a significant role. Additionally, the growth is most pronounced when the applied voltage and diffusion constant are both low. We observe a structural change from broccoli to cauliflower shape as the diffusion constant is increased. The simulations suggest that a control of electrolyte parameters that impact lithium diffusion might be an attractive route to controlling dendrite growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Fixed Source Sensitivity Calculations for Inertial Confinement Fusion Applications

A numerical code library was developed for the radiation transport code MCNP6.3 to calculate generalized response sensitivity coefficients for fixed source neutron transport problems with applications to inertial confinement fusion (ICF) experiments. The new MCNP6.3 dependency is used to generate a novel time convolution response that represents a neutron time-of-flight (nToF) signal. The traditional suite of macroscopic cross-section sensitivities and constrained fixed source probability distribution sensitivities are available for both the standard and the new response tallies in this library. However, novel sensitivity coefficients for the constrained hyperparameters of analytic fixed source probability distributions are emphasized in this work for their connection to ICF neutron transport models. Particularly, advanced Monte Carlo methods are developed for calculating the sensitivity of a nToF signal to perturbations in an ICF plasma’s ion temperature and burn history as well as perturbations in the target liner mass density and the shape parameters of the nToF detector’s impulse response function. Together, these capabilities form an advanced suite of computational tools that can be used to analyze and extract information from any ICF experimental platform.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Magnetic anisotropy in single-crystalline antiferromagnetic Mn 2 Au

Multiple recent studies have identified the metallic antiferromagnet Mn 2 ⁢Au to be a candidate for spintronic applications due to apparent in-plane anisotropy, preserved magnetic properties above room temperature, and current-induced Néel vector switching. Crystal growth is complicated by the fact that Mn 2 ⁢Au melts incongruently. We present a bismuth flux method to grow millimeter-scale bulk single crystals of Mn 2 ⁢Au in order to examine the intrinsic anisotropic electrical and magnetic properties. Flux quenching experiments reveal that the Mn 2 ⁢Au crystals precipitate below 550°⁢C, about 100⁢°⁢C below the decomposition temperature of Mn 2 ⁢Au. Bulk Mn 2 ⁢Au crystals have a room-temperature resistivity of 16–19 µ⁢Ωcm and a residual resistivity ratio of 41. Mn 2 ⁢Au crystals have a dimensionless susceptibility on the order of 10 –4 (SI units), comparable to calculated and experimental reports on powder samples. Single-crystal neutron diffraction confirms the in-plane magnetic structure. The tetragonal symmetry of Mn 2 ⁢Au constrains the ab-plane magnetic susceptibility to be constant, meaning that χ 100 =χ 110 in the low-field limit, below any spin-flop transition. We find that three measured magnetic susceptibilities χ 100 , χ 110 , and χ 001 are the same order of magnitude and agree with the calculated prediction, meaning the low-field susceptibility of Mn 2 ⁢Au is quite isotropic, despite clear differences in ab-plane and ac-plane magnetocrystalline anisotropy. Mn 2 ⁢Au is calculated to have an extremely high in-plane spin-flop field above 30 T, which is much larger than that of another in-plane antiferromagnet, Fe 2 ⁢As (less than 1 T). Finally, the subtle anisotropy of intrinsic susceptibilities may lead to dominating effects from shape, crystalline texture, strain, and defects in devices that attempt spin readout in Mn 2⁢ Au.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Vapor ingestion in a cylindrical tank with a concave elliptical bottom

An approximate analytical technique is presented for estimating the liquid residual in a tank of arbitrary geometry due to vapor ingestion at any drain rate and acceleration level. The bulk liquid depth at incipient pull-through is defined in terms of the Weber and Bond numbers and two functions that describe the fluid velocity field and free surface shape appropriate to the tank geometry. Numerical results are obtained for the Centaur LH2 tank using limiting approximations to these functions.

Klavins, A.↗
NASA NTRS1986

Verification of a SEU model for advanced 1-micron CMOS structures using heavy ions

Modeling and test results are reported for 1 micron CMOS circuits. Analytical predictions are correlated with experimental data, and sensitivities to process and design variations are discussed. Unique features involved in predicting the SEU performance of these devices are described. The results show that the critical charge for upset exhibits a strong dependence on pulse width for very fast devices, and upset predictions must factor in the pulse shape. Acceptable SEU error rates can be achieved for a 1 micron bulk CMOS process. A thin retrograde well provides complete SEU immunity for N channel hits at normal incidence angle. Source interconnect resistance can be important parameter in determining upset rates, and Cf-252 testing can be a valuable tool for cost-effective SEU testing.

Cable, J. S.↗
NASA NTRS1992

A new method for recognizing quadric surfaces from range data and its application to telerobotics and automation

Pose and orientation of an object is one of the central issues in 3-D recognition problems. Most of today's available techniques require considerable pre-processing such as detecting edges or joints, fitting curves or surfaces to segment images, and trying to extract higher order features from the input images. We present a method based on analytical geometry, whereby all the rotation parameters of any quadric surface are determined and subsequently eliminated. This procedure is iterative in nature and was found to converge to the desired results in as few as three iterations. The approach enables us to position the quadric surface in a desired coordinate system, and then to utilize the presented shape information to explicitly represent and recognize the 3-D surface. Experiments were conducted with simulated data for objects such as hyperboloid of one and two sheets, elliptic and hyperbolic paraboloid, elliptic and hyperbolic cylinders, ellipsoids, and quadric cones. Real data of quadric cones and cylinders were also utilized. Both of these sets yielded excellent results.

Alvertos, Nicolas↗
NASA NTRS2012

Mirror Metrology Using Nano-Probe Supports

Thin, lightweight mirrors are needed for future x-ray space telescopes in order to increase x-ray collecting area while maintaining a reduced mass and volume capable of being launched on existing rockets. However, it is very difficult to determine the undistorted shape of such thin mirrors because the mounting of the mirror during measurement causes distortion. Traditional kinematic mounts have insufficient supports to control the distortion to measurable levels and prevent the mirror from vibrating during measurement. Over-constrained mounts (non-kinematic) result in an unknown force state causing mirror distortion that cannot be determined or analytically removed. In order to measure flexible mirrors, it is necessary to over-constrain the mirror. Over-constraint causes unknown distortions to be applied to the mirror. Even if a kinematic constraint system can be used, necessary imperfections in the kinematic assumption can lead to an unknown force state capable of distorting the mirror. Previously, thicker, stiffer, and heavier mirrors were used to achieve low optical figure distortion. These mirrors could be measured to an acceptable level of precision using traditional kinematic mounts. As lighter weight precision optics have developed, systems such as the whiffle tree or hydraulic supports have been used to provide additional mounting supports while maintaining the kinematic assumption. The purpose of this invention is to over-constrain a mirror for optical measurement without causing unacceptable or unknown distortions. The invention uses force gauges capable of measuring 1/10,000 of a Newton attached to nano-actuators to support a thin x-ray optic with known and controlled forces to allow for figure measurement and knowledge of the undeformed mirror figure. The mirror is hung from strings such that it is minimally distorted and in a known force state. However, the hanging mirror cannot be measured because it is both swinging and vibrating. In order to stabilize the mirror for measurement, nano-probes support the mirror, causing the mirror to be over-constrained.

Robinson, David↗
DOE OSTI2022

Analytical and numerical modeling of optical second harmonic generation in anisotropic crystals using #SHAARP package

Electric-dipole optical second harmonic generation (SHG) is a second-order nonlinear process that is widely used as a sensitive probe to detect broken inversion symmetry and local polar order. Analytical modeling of the SHG polarimetry of a nonlinear optical material is essential to extract its point group symmetry and the absolute nonlinear susceptibilities. Current literature on SHG analysis involves numerous approximations and a wide range of (in)accuracies. We have developed an open-source package called the Second Harmonic Analysis of Anisotropic Rotational Polarimetry (#SHAARP.si) which derives analytical and numerical solutions of reflection SHG polarimetry from a single interface (.si) for bulk homogeneous crystals with arbitrary symmetry group, arbitrary crystal orientation, complex and anisotropic linear dielectric tensor with frequency dispersion, a general SHG tensor and arbitrary light polarization. #SHAARP.si enables accurate modeling of polarimetry measurements in reflection geometry from highly absorbing crystals or wedge-shaped transparent crystals. The package is extendable to multiple interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modeling intrinsic galaxy alignment in the MICE simulation

The intrinsic alignment (IA) of galaxies is potentially a major limitation in deriving cosmological constraints from weak lensing surveys. In order to investigate this effect, we assign intrinsic shapes and orientations to galaxies in the light-cone output of the MICE simulation, spanning ~ 5000 deg 2 and reaching redshift Z = 1.4. This assignment is based on a semianalytic IA model that uses photometric properties of galaxies as well as the spin and shape of their host halos. Advancing on previous work, we include more realistic distributions of galaxy shapes and a luminosity-dependent galaxy-halo alignment. The IA model parameters are calibrated against COSMOS and BOSS LOWZ observations. The null detection of IA in observations of blue galaxies is accounted for by setting random orientations for these objects. We compare the two-point alignment statistics measured in the simulation against predictions from the analytical IA models NLA and TATT over a wide range of scales, redshifts, and luminosities for red and blue galaxies separately. We find that both models fit the measurements well at scales above 8h -1 Mpc, while TATT outperforms NLA at smaller scales. The IA parameters derived from our fits are in broad agreement with various observational constraints from red galaxies. Finally, we build a realistic source sample, mimicking DES Year 3 observations and use it to predict the IA contamination to the observed shear statistics. We find this prediction to be within the measurement uncertainty, which might be a consequence of the random alignment of blue galaxies in the simulation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1974

Transverse vibrations of non-uniform beams

The free vibrations of elastic beams with nonuniform characteristics are investigated theoretically by a new method. The new method is seen to combine the advantages of a finite element approach and of a Rayleigh-Ritz analysis. Comparison with the known analytical results for uniform beams shows good convergence of the method for natural frequencies and modes. For internal shear forces and bending moments, the rate of convergence is less rapid. Results from experiments conducted with a cantilevered helicopter blade with strong nonuniformities and also from alternative theoretical methods, indicate that the theory adequately predicts natural frequencies and mode shapes. General guidelines for efficient use of the method are presented.

Klein, L.↗
NASA NTRS1988

Vibration, performance, flutter and forced response characteristics of a large-scale propfan and its aeroelastic model

An investigation of the vibration, performance, flutter, and forced response of the large-scale propfan, SR7L, and its aeroelastic model, SR7A, has been performed by applying available structural and aeroelastic analytical codes and then correlating measured and calculated results. Finite element models of the blades were used to obtain modal frequencies, displacements, stresses and strains. These values were then used in conjunction with a 3-D, unsteady, lifting surface aerodynamic theory for the subsequent aeroelastic analyses of the blades. The agreement between measured and calculated frequencies and mode shapes for both models is very good. Calculated power coefficients correlate well with those measured for low advance ratios. Flutter results show that both propfans are stable at their respective design points. There is also good agreement between calculated and measured blade vibratory strains due to excitation resulting from yawed flow for the SR7A propfan. The similarity of structural and aeroelastic results show that the SR7A propfan simulates the SR7L characteristics.

August, Richard↗
NASA NTRS1989

A NASTRAN DMAP alter for linear buckling analysis under dynamic loading

A modification to the NASTRAN solution sequence for transient analysis with direct time integration (COSMIC NASTRAN rigid format 9) was developed and incorporated into a DMAP alter. This DMAP alter calculates the buckling stability of a dynamically loaded structure, and is used to predict the onset of structural buckling under stress-wave loading conditions. The modified solution sequence incorporates the linear buckling analysis capability (rigid format 5) of NASTRAN into the existing Transient solution rigid format in such a way as to provide a time dependent eigensolution which is used to assess the buckling stability of the structure as it responds to the impulsive load. As a demonstration of the validity of this modified solution procedure, the dynamic buckling of a prismatic bar subjected to an impulsive longitudinal compression is analyzed and compared to the known theoretical solution. In addition, a dynamic buckling analysis is performed for the analytically less tractable problem of the localized dynamic buckling of an initially flawed composite laminate under transverse impact loading. The addition of this DMAP alter to the transient solution sequence in NASTRAN facilitates the computational prediction of both the time at which the onset of dynamic buckling occurs in an impulsively loaded structure, and the dynamic buckling mode shapes of that structure.

Aiello, Robert A.↗
NASA NTRS1988

Vibration, performance, flutter and forced response characteristics of a large-scale propfan and its aeroelastic model

An investigation of the vibration, performance, flutter, and forced response of the large-scale propfan, SR7L, and its aeroelastic model, SR7A, has been performed by applying available structural and aeroelastic analytical codes and then correlating measured and calculated results. Finite element models of the blades were used to obtain modal frequencies, displacements, stresses and strains. These values were then used in conjunction with a 3-D, unsteady, lifting surface aerodynamic theory for the subsequent aeroelastic analyses of the blades. The agreement between measured and calculated frequencies and mode shapes for both models is very good. Calculated power coefficients correlate well with those measured for low advance ratios. Flutter results show that both propfans are stable at their respective design points. There is also good agreement between calculated and measured blade vibratory strains due to excitation resulting from yawed flow for the SR7A propfan. The similarity of structural and aeroelastic results show that the SR7A propfan simulates the SR7L characteristics.

August, Richard↗
NASA NTRS1995

Application of the boundary element method to the micromechanical analysis of composite materials

A new boundary element formulation for the micromechanical analysis of composite materials is presented in this study. A unique feature of the formulation is the use of circular shape functions to convert the two-dimensional integrations of the composite fibers to one-dimensional integrations. To demonstrate the applicability of the formulations, several example problems including elastic and thermal analysis of laminated composites and elastic analyses of woven composites are presented and the boundary element results compared to experimental observations and/or results obtained through alternate analytical procedures. While several issues remain to be addressed in order to make the methodology more robust, the formulations presented here show the potential in providing an alternative to traditional finite element methods, particularly for complex composite architectures.

Goldberg, R. K.↗
NASA NTRS2000

Optimal Configurations for Rotating Spacecraft Formations

In this paper a new class of formations that maintain a constant shape as viewed from the Earth is introduced. An algorithm is developed to place n spacecraft in a constant shape formation spaced equally in time using the classical orbital elements. To first order, the dimensions of the formation are shown to be simple functions of orbit eccentricity and inclination. The performance of the formation is investigated over a Keplerian orbit using a performance measure based on a weighted average of the angular separations between spacecraft in formation. Analytic approximations are developed that yield optimum configurations for different values of n. The analytic approximations are shown to be in excellent agreement with the exact solutions.

Hughes, Steven P.↗