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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Decoupling Complex Multi–Length–Scale Morphology in Non–Fullerene Photovoltaics with Nitrogen K–Edge Resonant Soft X–ray Scattering

Complex morphology in organic photovoltaics (OPVs) and other functional soft materials commonly dictates performance. Such complexity in OPVs originates from the mesoscale kinetically trapped non-equilibrium state, which governs device charge generation and transport. Resonant soft X-ray scattering (RSoXS) has been revolutionary in the exploration of OPV morphology in the past decade due to its chemical and orientation sensitivity. However, for non-fullerene OPVs, RSoXS analysis near the carbon K-edge is challenging, due to the chemical similarity of the materials used in active layers. Here, an innovative approach is provided by nitrogen K-edge RSoXS (NK-RSoXS), utilizing the spatial and orientational contrasts from the cyano groups in the acceptor materials, which allows for determination of phase separation. NK-RSoXS clearly visualizes the combined feature sizes in PM6:Y6 blends from crystallization and liquid-liquid demixing, while PM6:Y6:Y6-BO ternary blends with reduced phase-separation size and enhanced material crystallization can lead to current amplification in devices. Nitrogen is common in organic semiconductors and other soft materials, and the strong and directional N 1s → π* resonances make NK-RSoXS a powerful tool to uncover the mesoscale complexity and open opportunities to understand heterogeneous systems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Extracting Non-propagating Oscillatory Fields in Concrete to Detect Distributed Cracking

We introduce work to find and locate distributed subsurface cracks in concrete by extracting non-propagating oscillatory fields. The medium of interest is concrete, but the approach also applies to other types of inhomogeneous media. The theoretical basis of the work is first presented through a one-dimensional point-scatterer model that considers the wavefield set up by multiple distinct scatterers. More complex scattering scenarios are then investigated using numerical simulation. The numerical models consider two types of scatterers: elliptic large-scale particles distributed throughout a medium and small-sized cracks localized within a damage zone. The theoretical and numerical analyses show that forward propagating waves undergo distinct scattering behavior within the crack damaged zone: non-propagating resonance-like oscillatory fields are set up within the cracked zone that are distinct from the scatter caused by the large-scale particles. We employ frequency-wavenumber (f-k) domain analysis to extract the energy of non-propagating oscillatory fields and thus to detect and locate zones of distributed cracking. The proposed approach is evaluated using numerical simulation and experimental data collected from concrete specimens that contain simulated distributed cracks. The results reflect the location of distributed crack zones in discrete random media such as concrete can be successfully detected.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Analytical prediction of EM scattering by complex obstacles within electrically large open cavities

An analytical technique is described for predicting the electromagnetic (EM) scattering by complex obstacles within electrically large open waveguide cavities. This topic is of relevance to EM scattering and EMC type applications. A general open ended waveguide cavity is illustrated and is assumed to be relatively arbitrarily shaped, and the open front end of the cavity is illuminated by an arbitrarily polarized external plane wave field. The interior obstacle is assumed to be located within the cavity near the back end, and it generally contributes significantly to the fields scattered into the exterior by the entire cavity configuration. The present scattering analysis is restricted to within approximately 70 degs from boresight with respect to the open front end; outside of this region, the scattering by the external features of the cavity are generally more significant than from the interior of the cavity. The scattering analysis is composed of two main parts. One analysis is of the coupling of the incident plane wave field, via the open front end using the high frequency ray or beam shooting methods. The other analysis deals with separately obtaining the plane wave scattering characteristics of the interior obstacle. Thus the present analysis represents a hybrid combination of an asymptotic high frequency ray/beam method for tracking the fields through the cavity, together with any suitable method for obtaining a plane wave characterization of the interior obstacle.

Pathak, Prabhakar H.↗
DOE OSTI2022

Cation Short-Range Ordering of MgAl 2 O 4 and NiAl 2 O 4 Spinel Oxides at High Temperatures via In Situ Neutron Total Scattering

Complex oxides that adopt the isometric spinel structure (AB 2 O 4 ) are important for numerous technological applications and are relevant for certain geological processes, which involve exposure to extreme environments such as high pressures and temperatures. Recent studies have shown that the changes to the spinel structure caused by these environments are complex and depend on the material length scale under consideration. In this study we have expanded this approach to the behavior of spinels under high temperature. In situ neutron total scattering experiments, coupled with pair distribution function analysis, performed on two spinel compositions with various levels of pre-existing disorder (MgAl 2 O 4 and NiAl 2 O 4 ) revealed that both compositions trend to a state of maximum disorder where the A and B cations are randomly distributed amongst the two available sites. Temperature-induced cation inversion, conventionally understood as exchange of cations on the A and B sites, is locally expressed as an atomic rearrangement to a tetragonal symmetry, a correlation that is retained up to the maximum temperature studied (1000 °C). Furthermore, a complex thermal expansion behavior is revealed wherein the oxide materials expand heterogeneously at the level of coordination polyhedral with an apparent dependence on bond strength.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Modeling Electromagnetic Scattering From Complex Inhomogeneous Objects

This software innovation is designed to develop a mathematical formulation to estimate the electromagnetic scattering characteristics of complex, inhomogeneous objects using the finite-element-method (FEM) and method-of-moments (MoM) concepts, as well as to develop a FORTRAN code called FEMOM3DS (Finite Element Method and Method of Moments for 3-Dimensional Scattering), which will implement the steps that are described in the mathematical formulation. Very complex objects can be easily modeled, and the operator of the code is not required to know the details of electromagnetic theory to study electromagnetic scattering.

Deshpande, Manohar↗
DOE OSTI2025

Fast meta-solvers for 3D complex-shape scatterers using neural operators trained on a non-scattering problem

Three-dimensional target identification using scattering techniques requires high accuracy solutions and very fast computations for real-time predictions in some critical applications. We first train a deep neural operator (DeepONet) to solve wave propagation problems described by the Helmholtz equation in a domain without scatterers but at different wavenumbers and with a complex absorbing boundary condition. We then design two classes of fast meta-solvers by combining DeepONet with either relaxation methods, such as Jacobi and Gauss-Seidel, or with Krylov methods, such as GMRES and BiCGStab, using the trunk basis of DeepONet as a coarse-scale preconditioner. We leverage the spectral bias of neural networks to account for the lower part of the spectrum in the error distribution while the upper part is handled inexpensively using relaxation methods or fine-scale preconditioners. The meta-solvers are then applied to solve scattering problems with different shape of scatterers, at no extra training cost. We first demonstrate that the resulting meta-solvers are shape-agnostic, fast, and robust, whereas the standard standalone solvers may even fail to converge without the DeepONet. We then apply both classes of meta-solvers to scattering from a submarine, a complex three-dimensional problem. We achieve very fast solutions, especially with the DeepONet-Krylov methods, which require orders of magnitude fewer iterations than any of the standalone solvers.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2007

Managing Uncertainty Due to a Fundamental Error Source Arising from Scatterer Distribution Complexity in Radar Remote Sensing of Precipitation

The assumption that cloud and rain drops are spatially distributed according to a Poisson distribution within a scattering volume probed by a radar being used to estimate precipitation has represented bedrock theory in establishing 'rules of the game' for pulse averaging--the process needed to beat down noise to an acceptable level in the measurement of radar reflectivity factor. Based on relatively recent observations of 'realistic' spatial distributions of hydrometeor scatterers in a cloudy atmosphere motivates a renewed examination of the consequences of using a too simplified assumption underlying volume scattering--particularly in regards to the standard pulse averaging rule. Our investigation addresses two extremes, simple to complex, insofar as allowed for complexities in an underlying scatterer distribution. It is demonstrated that as the spatial distribution ranges from Poisson (a narrow distribution) to multi-fractal (much broader distribution), uncertainty in a measurement increases if the rule for pulse averaging goes unchanged from its Poisson distribution reference county. [A bounded cascade is used for the multi-fractal distribution, a regularly observed distribution vis-a-vis cloud liquid water content.] The resultant measurement uncertainty leads to a fundamental source of error in the estimation of rain rate from radar measurements, one that has been disregarded since the early 1950s when radar sets first began to be used for rainfall measuring. It is shown how this source of error can be 'managed'--under the assumption that number of data analysis experiments would be carried out, experiments involving pulse-by-pulse measurements obtained from a radar set modified to output individual pulses of reflectivity factor. For practical applications, a new parameter called normalized k-sample intensity invariance is developed to enable defining the required pulse average count according to a preferred degree of uncertainty.

Smith, Eric A.↗
NASA NTRS1987

A finite difference-time domain technique for modeling narrow apertures in conducting scatterers

The finite difference-time domain (FDTD) technique has proven to be a valuable tool for the calculation of the transient and steady state scattering characteristics of relatively complex scatterer and source configurations. In spite of its usefulness, it exhibits serious deficiencies when used to analyze geometries that contain fine detail. An FDTD technique is described that utilizes Babinet's principle to decouple the regions on both sides of the aperture. The result is an FDTD technique that is capable of modeling apertures that are much smaller than the spatial grid used in the analysis and yet is not perturbed by numerical noise when used in the 'scattered field' mode. Numerical results are presented that show the field penetration through cavity-backed apertures that are much smaller than the spatial grid used during the solution.

Demarest, Kenneth R.↗
NASA NTRS1996

Performance of Polarimetric Processing Techniques using NAWC P-3 SAR Imagery

The use of synthetic aperture radar (SAR) polarimetric processing for enhancing the detection, classification, and/or identification of scene scattering features is described. This paper describes and compares the results obtained from applying the polarimetric techniques that have been developed and/or advanced by researchers at MIT Lincoln Laboratory, and basic polarimetric match filter (PMF) techniques that have been modified to treat distributed scatterers. The paper describes the individual polarimetric processing techniques and the formulation used fro their application to polarimetric imagery obtained from the NAWC P-3 SAR. In all cases, the polarimetric techniques have been applied to enhance the detection of distributed scatterers in clutter The emphasis arises from considering most complex scatterers of interest (either man made or natural) as distributed scatterers consisting of multiple scattering centers, and many modern polarimetric radar systems have the resolution performance to resolve the multiple scattering centers. Furthermore, the individual scattering centers of a distributed target can often exhibit different polarimetric scattering characteristics, and consequently do not respond favorably to polarimetric processing techniques derived for individual point scatterers. The treatment of distributed scatterers also includes concepts for tuning the polarimetric ensemble response of individual scattering centers.

Teti, J. G., Jr.↗
DOE OSTI2025

Quantitative infrared spectroscopy of aerosols: Mie theory modeling with experimental validation

Infrared spectroscopy is a well-established method for identifying solid, liquid, and gas-phase chemicals. Accurate infrared spectroscopic analysis requires reference libraries where library endmembers reflect all optical phenomena contributing to the observed spectra. Traditional spectral libraries most often contain molecular-based absorption spectra, but these do not account for the complex scattering effects that become significant when measuring aerosols. In this work, we combine the laboratory-derived, wavelength-dependent complex optical vectors ( n / k ) of liquid dioctyl sebacate (DOS) with Mie scattering theory and the Beer–Lambert law to generate synthetic infrared transmission spectra of aerosolized DOS. Additionally, we record experimental infrared transmission spectra using an FTIR spectrometer coupled to a simple aerosol chamber filled with a quantified number size distribution of aerosolized DOS. The modeled and measured spectra show strong agreement, with Mie scattering effects clearly altering the overall spectral shape as well as the positions and profiles of absorption features. The results demonstrate that synthetic spectra generated from n / k values can reliably capture aerosol-specific spectral behavior and thus serve as a foundation for building scalable, physics-based aerosol reference libraries to enable infrared spectroscopic detection of aerosols.

Salcido, Jessica M. O. [Pacific Northwest National↗
DOE OSTI2023

Probing three-dimensional mesoscopic interfacial structures in a single view using multibeam X-ray coherent surface scattering and holography imaging

Abstract Visualizing surface-supported and buried planar mesoscale structures, such as nanoelectronics, ultrathin-film quantum dots, photovoltaics, and heterogeneous catalysts, often requires high-resolution X-ray imaging and scattering. Here, we discovered that multibeam scattering in grazing-incident reflection geometry is sensitive to three-dimensional (3D) structures in a single view, which is difficult in conventional scattering or imaging approaches. We developed a 3D finite-element-based multibeam-scattering analysis to decode the heterogeneous electric-field distribution and to faithfully reproduce the complex scattering and surface features. This approach further leads to the demonstration of hard-X-ray Lloyd’s mirror interference of scattering waves, resembling dark-field, high-contrast surface holography under the grazing-angle scattering conditions. A first-principles calculation of the single-view holographic images resolves the surface patterns’ 3D morphology with nanometer resolutions, which is critical for ultrafine nanocircuit metrology. The holographic method and simulations pave the way for single-shot structural characterization for visualizing irreversible and morphology-transforming physical and chemical processes in situ or operando .

47 OTHER INSTRUMENTATION↗
NASA NTRS1986

Generalized three-dimensional experimental lightning code (G3DXL) user's manual

Information concerning the programming, maintenance and operation of the G3DXL computer program is presented and the theoretical basis for the code is described. The program computes time domain scattering fields and surface currents and charges induced by a driving function on and within a complex scattering object which may be perfectly conducting or a lossy dielectric. This is accomplished by modeling the object with cells within a three-dimensional, rectangular problem space, enforcing the appropriate boundary conditions and differencing Maxwell's equations in time. In the present version of the program, the driving function can be either the field radiated by a lightning strike or a direct lightning strike. The F-106 B aircraft is used as an example scattering object.

Kunz, Karl S.↗
NASA NTRS1991

Complex angular momentum approximation to hard-core scattering

The complex angular momentum (CAM) approximation for nonrelativistic quantum scattering by a hard sphere - a union of the recently developed CAM uniform approximation with a semiclassical WKB-like approximation valid at large angles - is shown to be remarkably accurate over the complete range of scattering angles and down to size parameters (circumference to de Broglie wavelength ratios) of order unity. The best approximations previously derivable (Fock-type) cannot reach large scattering angles where semiclassical approximations are useful; even at angles where Fock-type approximations are valid, they are typically two or more orders of magnitude less accurate than CAM. The crucial new feature responsible for the high accuracy of the CAM approximation is the treatment of large-angle diffraction associated with (1) tunneling near the edge of the scatterer, and (2) anomalous reflection.

Nussenzveig, H. M.↗
DOE OSTI2019

Instrumentation for In situ/Operando X-ray Scattering Studies of Polymer Additive Manufacturing Processes

With new opportunities and challenges from additive manufacturing (AM), novel characterization approaches are needed to realize reliable and industry-transferrable material systems and processes. The Complex Scattering Program at the National Synchrotron Light Source II (NSLS-II), a Department of Energy (DOE) Office of Science User Research Facility located at Brookhaven National Laboratory, has capabilities on three beamlines to support in situ and operando soft material additive manufacturing measurements. In this article, we describe some of the additive manufacturing capabilities that have been implemented on these beamlines, including in-line 3D printers for Continuous-flow Direct Writing (CDW), Fused Filament Fabrication (FFF) printing, and an instrument for Electrospray Deposition (ESD). We also describe a development program in autonomous experimentation that will be critical for addressing the complexity involved in optimizing additive manufacturing processes and materials.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Cyclotron resonant scattering and absorption

The relativistic cross-sections for first-order absorption and second-order scattering are compared to determine the conditions under which the absorption cross-section is a good approximation to the much more complex scattering cross-section for purposes of modeling cyclotron lines in gamma-ray bursts. Differences in both the cross-sections and the line profiles are presented for a range of field strengths, angles, and electron temperatures. The relative difference of the cross-sections at one line width from resonance was found to increase with field strength and harmonic number. The difference is also strongly dependent on the photon angle to the magnetic field. For the field strength, 1.7 x 10 to the 12th G, and the angle inferred from the Ginga burst features, absorption is an excellent approximation for the profiles at the first and second harmonics.

Harding, Alice K.↗