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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Electromagnetic scattering from two-dimensional thick material junctions

The problem of the plane wave diffraction is examined by an arbitrary symmetric two dimensional junction, where Generalized Impedance Boundary Conditions (GIBCs) and Generalized Sheet Transition Conditions (GSTCs) are employed to simulate the slabs. GIBCs and GSTCs are constructed for multilayer planar slabs of arbitrary thickness and the resulting GIBC/GSTC reflection coefficients are compared with exact counterparts to evaluate the GIBCs/GSTCs. The plane wave diffraction by a multilayer material slab recessed in a perfectly conducting ground plane is formulated and solved via the Generalized Scattering Matrix Formulation (GDMF) in conjunction with the dual integral equation approach. Various scattering patterns are computed and validated with exact results where possible. The diffraction by a material discontinuity in a thick dielectric/ferrite slab is considered by modelling the constituent slabs with GSTCs. A non-unique solution in terms of unknown constants is obtained, and these constants are evaluated for the recessed slab geometry by comparison with the solution obtained therein. Several other simplified cases are also presented and discussed. An eigenfunction expansion method is introduced to determine the unknown solution constants in the general case. This procedure is applied to the non-unique solution in terms of unknown constants; and scattering patterns are presented for various slab junctions and compared with alternative results where possible.

Ricoy, M. A.↗
DOE OSTI2025

Designing Physicochemically‐Ordered Interphases for High‐Performance Composites

To enhance the mechanical properties of carbon fiber‐reinforced polymer composites, a physicochemical scaffold is designed incorporating microscopically architected chemically reactive nanofibers that act as a multiscale bridge between the carbon fibers and the matrix. Thermally activated nanofibers leverage their morphologically driven mechanochemical properties to form covalent bonds with adjacent polymer molecules, creating a co‐continuous network that dramatically enhances fiber‐matrix load transfer. By meticulously controlling the nanofiber architecture through variable surface area, functional group availability, and polymer chain alignment effects, the extent of covalent bonding between nanofibers and the matrix is manipulated ultimately resulting in improved carbon fiber‐matrix adhesion. Further, the concept was validated using polyacrylonitrile nanofibers within an acrylonitrile butadiene styrene matrix in a discontinuous carbon fiber‐reinforced composite system. Nanomechanical studies using atomic force microscopy and low‐field nuclear magnetic resonance spectroscopy confirmed immobilized, chemically transferred, and ordered nanostructures at the interphase. The resulting composites demonstrated ≈56% and ≈175% improvements in tensile strength and toughness, respectively, compared to composites without nanofiber. Comprehensive thermal, rheological, and X‐ray scattering analyses, along side all‐atomic molecular dynamics simulations, revealed the fundamental mechanisms behind these improvements in mechanical behavior. The versatility and efficacy of the approach have the potential to address longstanding interphase challenges in the composite industry.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Effect of Thin Cirrus Clouds on Dust Optical Depth Retrievals From MODIS Observations

The effect of thin cirrus clouds in retrieving the dust optical depth from MODIS observations is investigated by using a simplified aerosol retrieval algorithm based on the principles of the Deep Blue aerosol property retrieval method. Specifically, the errors of the retrieved dust optical depth due to thin cirrus contamination are quantified through the comparison of two retrievals by assuming dust-only atmospheres and the counterparts with overlapping mineral dust and thin cirrus clouds. To account for the effect of the polarization state of radiation field on radiance simulation, a vector radiative transfer model is used to generate the lookup tables. In the forward radiative transfer simulations involved in generating the lookup tables, the Rayleigh scattering by atmospheric gaseous molecules and the reflection of the surface assumed to be Lambertian are fully taken into account. Additionally, the spheroid model is utilized to account for the nonsphericity of dust particles In computing their optical properties. For simplicity, the single-scattering albedo, scattering phase matrix, and optical depth are specified a priori for thin cirrus clouds assumed to consist of droxtal ice crystals. The present results indicate that the errors in the retrieved dust optical depths due to the contamination of thin cirrus clouds depend on the scattering angle, underlying surface reflectance, and dust optical depth. Under heavy dusty conditions, the absolute errors are comparable to the predescribed optical depths of thin cirrus clouds.

Feng, Qian↗
DOE OSTI2022

Quantitative assessment of fitting errors associated with streak camera noise in Thomson scattering data analysis

Thomson scattering measurements in high energy density experiments are often recorded using optical streak cameras. In the low-signal regime, noise introduced by the streak camera can become an important and sometimes the dominant source of measurement uncertainty. In this paper, we present a formal method of accounting for the presence of streak camera noise in our measurements. We present a phenomenological description of the noise generation mechanisms and present a statistical model that may be used to construct the covariance matrix associated with a given measurement. This model is benchmarked against simulations of streak camera images. We demonstrate how this covariance may then be used to weight fitting of the data and provide quantitative assessments of the uncertainty in the fitting parameters determined by the best fit to the data and build confidence in the ability to make statistically significant measurements in the low-signal regime, where spatial correlations in the noise become apparent. These methods will have general applicability to other measurements made using optical streak cameras.

47 OTHER INSTRUMENTATION↗
NASA NTRS1992

Radiative transfer theory for polarimetric remote sensing of pine forest

The radiative transfer theory is applied to interpret polarimetric radar backscatter from pine forest with clustered vegetation structures. The scattering function of each cluster is calculated by incorporating the phase interference of scattered fields from each component. The resulting phase matrix is used in the radiative transfer equations to evaluate the polarimetric backscattering coefficients from random medium layers embedded with vegetation clusters. Upon including multiscale structures (trunks, primary and secondary branches, and needles), polarimetric radar responses from pine forest for different frequencies and looking angles are interpreted and simulated. Preliminary results are shown to be in good agreement with the measured backscattering coefficients at the Landes maritime pine forest during the MAESTRO-1 experiment.

Hsu, C. C.↗
DOE OSTI2022

Charge Transport in Twisted Organic Semiconductor Crystals of Modulated Pitch

Many molecular crystals (approximately one third) grow as twisted, helicoidal ribbons from the melt, and this preponderance is even higher in restricted classes of materials, for instance, charge-transfer complexes. Previously, twisted crystallites of such complexes present an increase in carrier mobilities. In this paper, the effect of twisting on charge mobility is better analyzed for a monocomponent organic semiconductor, 2,5-bis(3-dodecyl-2-thienyl)-thiazolo[5,4-d]thiazole (BDT), that forms twisted crystals with varied helicoidal pitches and makes possible a correlation of twist strength with carrier mobility. Films are analyzed by X-ray scattering and Mueller matrix polarimetry to characterize the microscale organization of the polycrystalline ensembles. Carrier mobilities of organic field-effect transistors are five times higher when the crystals are grown with the smallest pitches (most twisted), compared to those with the largest pitches, along the fiber elongation direction. A tenfold increase is observed along the perpendicular direction. Simulation of electrical potential based on scanning electron microscopy images and density functional theory suggests that the twisting-enhanced mobility is mainly controlled by the fiber organization in the film. A greater number of tightly packed twisted fibers separated by numerous smaller gaps permit better charge transport over the film surface compared to fewer big crystallites separated by larger gaps.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A flexible gyro-fluid system of equations

Gyro-fluid equations are velocity space moments of the gyrokinetic equations. Special gyro-Landau-fluid closures have been developed that include the damping due to kinetic resonances by fitting to the collisionless local plasma response functions. This damping allows for accurate linear eigenmodes to be computed with a relatively low number of velocity space moments compared to the number of velocity quadrature points in gyrokinetic codes. However, none of the published gyro-Landau-fluid closure schemes considers the Onsager symmetries of the resulting quasi-linear fluxes as a constraint. Onsager symmetry guarantees that the matrix of diffusivities is positive definite, an important property for the numerical stability of a transport solver. A two-parameter real closure for improving the accuracy of low-resolution gyro-fluid equations, which preserves the Onsager symmetry and allows higher velocity space moments, is presented in this paper. The new linear gyro-fluid system (GFS) is used to extend the TGLF quasi-linear transport model so that it can compute the energy and momentum fluxes due to parallel magnetic fluctuations, completing the transport matrix. The GFS equations do not use a bounce average approximation. The GFS equations are fully electromagnetic with general flux surface magnetic geometry, pitch angle scattering for electron collisions, and subsonic equilibrium toroidal rotation. Using GFS eigenmodes in the quasi-linear TGLF model will be shown to yield a more accurate match to fluxes computed by CGYRO turbulence simulations. In conclusion, prospects for future applications of a quasi-linear theory to new plasma transport regimes and magnetic confinement devices in addition to tokamaks are opened by the flexibility of the GFS eigensolver.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A time-dependent momentum-resolved scattering approach to core-level spectroscopies

While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schrödinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Probabilistic simulation of uncertainties in composite uniaxial strengths

Probabilistic composite micromechanics methods are developed that simulate uncertainties in unidirectional fiber composite strengths. These methods are in the form of computational procedures using composite mechanics with Monte Carlo simulation. The variables for which uncertainties are accounted include constituent strengths and their respective scatter. A graphite/epoxy unidirectional composite (ply) is studied to illustrate the procedure and its effectiveness to formally estimate the probable scatter in the composite uniaxial strengths. The results show that ply longitudinal tensile and compressive, transverse compressive and intralaminar shear strengths are not sensitive to single fiber anomalies (breaks, intergacial disbonds, matrix microcracks); however, the ply transverse tensile strength is.

Chamis, C. C.↗
NASA NTRS2015

Theoretical Studies of Spectroscopic Line Mixing in Remote Sensing Applications

The phenomenon of collisional transfer of intensity due to line mixing has an increasing importance for atmospheric monitoring. From a theoretical point of view, all relevant information about the collisional processes is contained in the relaxation matrix where the diagonal elements give half-widths and shifts, and the off-diagonal elements correspond to line interferences. For simple systems such as those consisting of diatom-atom or diatom-diatom, accurate fully quantum calculations based on interaction potentials are feasible. However, fully quantum calculations become unrealistic for more complex systems. On the other hand, the semi-classical Robert-Bonamy (RB) formalism, which has been widely used to calculate half-widths and shifts for decades, fails in calculating the off-diagonal matrix elements. As a result, in order to simulate atmospheric spectra where the effects from line mixing are important, semi-empirical fitting or scaling laws such as the ECS (Energy-Corrected Sudden) and IOS (Infinite-Order Sudden) models are commonly used. Recently, while scrutinizing the development of the RB formalism, we have found that these authors applied the isolated line approximation in their evaluating matrix elements of the Liouville scattering operator given in exponential form. Since the criterion of this assumption is so stringent, it is not valid for many systems of interest in atmospheric applications. Furthermore, it is this assumption that blocks the possibility to calculate the whole relaxation matrix at all. By eliminating this unjustified application, and accurately evaluating matrix elements of the exponential operators, we have developed a more capable formalism. With this new formalism, we are now able not only to reduce uncertainties for calculated half-widths and shifts, but also to remove a once insurmountable obstacle to calculate the whole relaxation matrix. This implies that we can address the line mixing with the semi-classical theory based on interaction potentials between molecular absorber and molecular perturber. We have applied this formalism to address the line mixing for Raman and infrared spectra of molecules such as N2, C2H2, CO2, NH3, and H2O. By carrying out rigorous calculations, our calculated relaxation matrices are in good agreement with both experimental data and results derived from the ECS model.

Formalism↗
NASA NTRS2022

The Turning Point of the Aerosol Era

Over the CMIP6 historical period (1850–2014), aerosols provided the largest negative forcing compared to all other climate forcings via their ability to absorb or scatter solar radiation and alter clouds. Aerosols played an important role in counterbalancing warming by greenhouse gases (GHGs). Here we study aerosol forcing trends in the CMIP6 simulations of the NASA Goddard Institute for Space Studies (GISS) ocean-atmosphere ModelE version 2.1 (GISS-E2.1-G) using a fully coupled atmospheric composition configuration, including interactive gas-phase chemistry, and either an aerosol microphysical (MATRIX) or a mass-based aerosol (OMA) module. Simulations of the CMIP6 historical period are analyzed as well as four Shared Socioeconomic Pathway (SSP) future scenarios for 2015–2100: SSP1-2.6, SSP2-4.5, SSP3-7.0, and SSP5-8.5. The main conclusion of this study is that aerosol forcing in the GISS model has reached its turning point, switching from globally increasing to a decreasing trend in the first decade of the 21st century. This result is robust, independent of which aerosol module or SSP scenario is used. Non-linear aerosol-cloud interactions dominate as a forcing agent over aerosol-radiation interactions. Aerosols' ability to counterbalance GHG forcing on the global scale is today at a level comparable to that at the beginning of the last century. In the 1980s, the decade of largest global aerosol loads, aerosols balanced up to 80% of GHG forcing. As a consequence, global warming of the last decades, which is primarily driven by greenhouse gases, has been augmented by the effect of decreasing aerosol cooling in our model. By the end of this century, following the SSP scenarios, aerosols will only counterbalance 0%–20% of GHG forcing, depending on model and on scenario.

Aerosol forcing↗
DOE OSTI2025

How Topological Polymer Loops on the Nanoparticle Surface Control the Mechanical Properties of Nanocomposites

Carbon black (CB) and silica (SiO 2 ) filled elastomers are known to be the most successful polymer nanocomposites (PNCs) in industry, where “bound rubber (BR)” (i.e., polymer chains that are physically or chemically adsorbed on the nanofiller surface) plays a critical role in their reinforcement. Here, we report a molecular-scale mechanism underlying the “BR-induced reinforcement” by integrating neutron scattering experiments and molecular dynamics simulations. Simplified non-cross-linked SiO 2 -filled polybutadiene (PB) and CB-filled PB reveal the critical role of topological polymer loops in the BR for the enhanced mechanical performance. The average loop size on the SiO 2 surface modified with a silane coupling agent is much smaller than that on the CB surface and the loops on the SiO 2 surface are densely formed, preventing interdigitation with the matrix chains. On the other hand, the larger, uncrowded loops formed on the CB surface facilitate the interdigitation with the matrix polymer chains even near the filler surface. In this way, a strong connectivity is established between a matrix and a nanofiller, resulting in an adhesive filler–polymer interface. Furthermore, our findings shed light on rich and complex physics and materials design problems in PNCs, where the topological polymer structure on the nanofiller surface directly controls the macroscopic mechanical properties.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Momentum loss in proton-nucleus and nucleus-nucleus collisions

An optical model description, based on multiple scattering theory, of longitudinal momentum loss in proton-nucleus and nucleus-nucleus collisions is presented. The crucial role of the imaginary component of the nucleon-nucleon transition matrix in accounting for longitudinal momentum transfer is demonstrated. Results obtained with this model are compared with Intranuclear Cascade (INC) calculations, as well as with predictions from Vlasov-Uehling-Uhlenbeck (VUU) and quantum molecular dynamics (QMD) simulations. Comparisons are also made with experimental data where available. These indicate that the present model is adequate to account for longitudinal momentum transfer in both proton-nucleus and nucleus-nucleus collisions over a wide range of energies.

Khan, Ferdous↗
NASA NTRS1993

Application of the target decomposition theorem to a polarimetric random media model

With advances in polarimetric radar measurements of land surfaces, the need for understanding the underlying scattering mechanisms and dominant target features has become the focus of many studies. In particular, the maximum use of the polarimetric information to identify and/or separate parameters related to the surface features such as vegetation thickness, structure, water content, and soil surface characteristics will enhance the possibility of using polarimetric radars for monitoring the earth's surface from space. In this paper, Cloude's decomposition theorem is applied to a polarimetric random media model to simulate the radar measurements of vegetated canopies. The vegetated canopies are modeled as a three layer discrete random medium with leaves and branches in the first layer, tree trunks in the second layer, and a half space of homogeneous ground with rough interface as the bottom layer. The distorted born approximation (DBA) has been used to compute full Mueller matrix of the canopy, using canonical dielectric objects such as thin discs and cylinders as leaves, branches, and trunks, respectively. The Mueller matrix and the derived covariance matrix contain information on the second order statistics of radar signals at various polarizations from the canopy. To decompose the covariance matrix to its constituent targets, the eigenvalues and eigenvectors of the covariance matrix are computed in terms of the physical parameters of the canopy. In addition, each eigenvector explicitly shows the scattering mechanisms such as odd and even reflections in the canopy. Cloude's decomposition theorem is applied using the Pauli spin matrices as a basis and an expression for the degree of disorder or the entropy for the vegetated surface is found. Then, the physical parameters estimated from in situ measurements are used in the random media to obtain realistic covariance matrices. As a result, the sensitivity of the eigenvalue spectrums and the coefficients resulting from the target decomposition theorem to the physical parameters of the canopy are examined and the possible use of Cloude's theorem to estimate vegetation and soil parameters is discussed.

Saatchi, Sasan S.↗
DOE OSTI2025

Probing Carbon Mineralization Mechanisms in Pore and Bulk Fluids by Harnessing Architected Calcium Silicates

The ability to synthesize materials with well-controlled pore structures gives us unprecedented control over probing fluid interactions with reactive interfaces and advancing calibrated insights into coupled chemo-morphological interactions. One of the primary challenges in developing crystalline silicate materials lies in achieving ordered pore structures. Existing approaches of producing amorphous mesoporous metal silicates via sol–gel methods and heat-treatment of these materials to produce crystalline phases cause the pore structures in the amorphous phases to collapse. To overcome this challenge, carbon coating of amorphous mesoporous calcium silicate particles is carried out to retain the pore structure, while the material is heated to produce crystalline calcium silicate with calcium sulfate inclusions. The pore diameter in these materials is about 3.9 nm, with a surface area and a pore volume of 28.75 m 2 /g and 0.092 cm 2 /g, respectively. The mechanisms of carbon mineralization are investigated by reacting architected calcium silicate with 1 M Na 2 CO 3 and monitoring the evolution in the structural phases using operando wide-angle X-ray scattering (WAXS) measurements. Formation of stable calcium carbonate polymorph or calcite and metastable calcium carbonate polymorph or vaterite in pore and bulk fluids, respectively, resulting from the reaction between Na 2 CO 3 and CaSiO 3 , are noted. The mechanisms associated with carbon mineralization are delineated using ReaxFF molecular dynamics (MD) simulations. The surface dissolution reaction is initiated by 2H + ions that replace a Ca 2+ ion in the Ca–silicate matrix. Ca 2+ ions in the solution initially react with water to form calcium hydroxide and eventually form calcium (bi)carbonate. A slow and gradual increase in the formation of sodium silicate in the solution resulting from the reactions of silicic acid or the silicon dioxide reaction with sodium hydroxide is noted. When carbon mineralization occurs in environments bearing interfacial fluids, calcite is the dominant calcium carbonate polymorph, as determined using experiments with pore fluids and molecular-scale simulations. In conclusion, these studies provide fundamental insights into the mechanisms underlying the carbon mineralization of calcium silicate informed by experiments and molecular-scale simulations.

Calcium↗
NASA NTRS2016

Polarized Radiative Transfer of a Cirrus Cloud Consisting of Randomly Oriented Hexagonal Ice Crystals: The 3 x 3 Approximation for Non-Spherical Particles

The reflection and transmission of polarized light for a cirrus cloud consisting of randomly oriented hexagonal columns were calculated by two very different vector radiative transfer models. The forward peak of the phase function for the ensemble-averaged ice crystals has a value of order 6 x 10(exp 3) so a truncation procedure was used to help produce numerically efficient yet accurate results. One of these models, the Vectorized Line-by-Line Equivalent model (VLBLE), is based on the doubling- adding principle, while the other is based on a vector discrete ordinates method (VDISORT). A comparison shows that the two models provide very close although not entirely identical results, which can be explained by differences in treatment of single scattering and the representation of the scattering phase matrix. The relative differences in the reflected I and Q Stokes parameters are within 0.5 for I and within 1.5 for Q for all viewing angles. In 1971 Hansen showed that for scattering by spherical particles the 3 x 3 approximation is sufficient to produce accurate results for the reflected radiance I and the degree of polarization (DOP), and he conjectured that these results would hold also for non-spherical particles. Simulations were conducted to test Hansen's conjecture for the cirrus cloud particles considered in this study. It was found that the 3 x 3 approximation also gives accurate results for the transmitted light, and for Q and U in addition to I and DOP. For these non-spherical ice particles the 3 x 3 approximation leads to an absolute error 2 x 10(exp -6) for the reflected and transmitted I, Q and U Stokes parameters. Hence, it appears to be an excellent approximation, which significantly reduces the computational complexity and burden required for multiple scattering calculations.

Polarization↗
NASA NTRS1999

Quantifying Uncertainties in the Thermo-Mechanical Properties of Particulate Reinforced Composites

The present paper reports results from a computational simulation of probabilistic particulate reinforced composite behavior. The approach consists use of simplified micromechanics of particulate reinforced composites together with a Fast Probability Integration (FPI) technique. Sample results are presented for a Al/SiC(sub p)(silicon carbide particles in aluminum matrix) composite. The probability density functions for composite moduli, thermal expansion coefficient and thermal conductivities along with their sensitivity factors are computed. The effect of different assumed distributions and the effect of reducing scatter in constituent properties on the thermal expansion coefficient are also evaluated. The variations in the constituent properties that directly effect these composite properties are accounted for by assumed probabilistic distributions. The results show that the present technique provides valuable information about the scatter in composite properties and sensitivity factors, which are useful to test or design engineers.

Mital, Subodh K.↗
DOE OSTI2023

Understanding Interfacial Block Copolymer Structure and Dynamics

Here, block copolymer (BCP) structure and dynamics were studied using small-angle neutron scattering (SANS), neutron spin echo (NSE) spectroscopy, and molecular dynamics (MD) simulations to obtain a fundamental understanding of the impact of an interfacial block on chain dynamics. A glassy block acted as the interface, and the dynamics of a rubbery block was studied. The rubbery block was protonated near the interface in one sample and near the chain end in another sample to observe the interfacial effect on the rubbery polymer. Analysis of the structure and dynamics revealed that the interfacial rubbery block was confined in layered morphologies and exhibited much slower dynamics than the chain-end rubbery block that was dispersed in the rubbery matrix. The interfacial rubbery block showed weaker dynamical relaxation than that at the chain end, and it also had critically important length scale dependence. Dynamical slowing was only observed at length scales significantly larger than the characteristic segmental length, and the disparity between interfacial and chain-end dynamics increased with increasing length.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗