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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Shear-Induced Conformations of Salt-Free Polyelectrolytes in Semidilute Solutions

Here, we present coarse-grained molecular dynamics simulations of salt-free polyelectrolyte chains in semidilute solutions under simple shear flow, with full hydrodynamic interactions and explicit dipolar solvent. At equilibrium, chain orientation statistics follow a pseudo-Voigt distribution, and the structural correlation length and chain end-to-end vector autocorrelation function exhibit scaling behavior consistent with theoretical predictions for polyelectrolytes. Under shear, chains transition from coiled to stretched states and the end-to-end vector autocorrelation function reveals oscillatory dynamics at high Weissenberg numbers. Analysis of the gyration tensor and shear strain distributions identified three distinct chain populations with directional alignment along and against the shear gradient. Compared with their neutral polymer counterparts, polyelectrolytes exhibit stronger shear thinning and enhanced chain alignment under the same Weissenberg number, which is attributed to electrostatic interactions and shear-induced counterion release. These findings provide molecular insight into the distinct flow response of charged polymers and have implications for tailoring the rheological properties of polyelectrolyte-based materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Bidirectional Reflectance of Flat, Optically Thick Particulate Layers: An Efficient Radiative Transfer Solution and Applications to Snow and Soil Surfaces

We describe a simple and highly efficient and accurate radiative transfer technique for computing bidirectional reflectance of a macroscopically flat scattering layer composed of nonabsorbing or weakly absorbing, arbitrarily shaped, randomly oriented and randomly distributed particles. The layer is assumed to be homogeneous and optically semi-infinite, and the bidirectional reflection function (BRF) is found by a simple iterative solution of the Ambartsumian's nonlinear integral equation. As an exact Solution of the radiative transfer equation, the reflection function thus obtained fully obeys the fundamental physical laws of energy conservation and reciprocity. Since this technique bypasses the computation of the internal radiation field, it is by far the fastest numerical approach available and can be used as an ideal input for Monte Carlo procedures calculating BRFs of scattering layers with macroscopically rough surfaces. Although the effects of packing density and coherent backscattering are currently neglected, they can also be incorporated. The FORTRAN implementation of the technique is available on the World Wide Web at http://ww,,v.giss.nasa.gov/-crmim/brf.html and can be applied to a wide range of remote sensing, engineering, and biophysical problems. We also examine the potential effect of ice crystal shape on the bidirectional reflectance of flat snow surfaces and the applicability of the Henyey-Greenstein phase function and the 6-Eddington approximation in calculations for soil surfaces.

Mishchenko, Michael I.↗
NASA NTRS2021

Electron Bernstein waves and narrow band plasma waves near the electron cyclotron frequency in the near-Sun solar wind

Context. Recent studies of the solar wind sunward of 0.25 AU reveal that it contains quiescent regions, with low-amplitude plasma and magnetic field fluctuations, and a magnetic field direction similar to the Parker spiral. The quiescent regions are thought to have a more direct magnetic connection to the solar corona than other types of solar wind, suggesting that waves or instabilities in the quiescent regions are indicative of the early evolution of the solar wind as it escapes the corona. The quiescent solar wind regions are highly unstable to the formation of plasma waves near the electron cyclotron frequency (fce). Aims. We examine high time resolution observations of these waves in an effort to understand their impact on electron distribution functions of the quiescent near-Sun solar wind. Methods. High time resolution waveform captures of near-fce waves were examined to determine variations of their amplitude and frequency in time as well as their polarization properties. Results. We demonstrate that the near-fce wave intervals contain several distinct wave types, including electron Bernstein waves and extremely narrowband waves that are highly sensitive to the ambient magnetic field orientation. Using the properties of these waves, we suggest possible plasma wave mode classifications and possible instabilities that generate these waves. The results of this analysis indicate that these waves may modify the cold core of the electron distribution functions in the quiescent near-Sun solar wind.

David M. Malaspina↗
DOE OSTI2022

Ruddlesden–Popper Perovskites with Narrow Phase Distribution for Air-Stable Solar Cells

2D Ruddlesden-Popper perovskites have risen to prominence as stable and efficient photovoltaic materials because of their structural diversity, rich photophysics, and low moisture ingression. However, thin films processed from stoichiometric precursor solutions possess a broad phase distribution of different number of inorganic layers with random crystal orientation, crippling device performance. The effect of methylammonium chloride (MACI) and 3-amino4-phenolsulfonic acid (APSA) on the fabrication of perpendicularly oriented (PEA) 2 MA 4 Pb 5 I 16 films with narrow phase distribution using antisolvent and hot-casting processing techniques is investigated. MACI plays a critical role in suppressing parasitic n ≤ 2 and 3D-like phases. APSA performs the dual function of trap passivation and further narrowing phase polydispersity through strong coordination with Pb 2+ . Ex situ grazing-incident wide-angle X-Ray scattering (GIWAXS) and ultrafast spectroscopic characterization reveal uniformly mixed-phase distribution with disordered orientation in antisolvent treated films, while additive-assisted hot-casting treatment results in oriented, reverse-graded phase distribution, i.e., small-n on the film surface and large-n at the bottom. Arising thin films enable efficient p-i-n solar cells with an efficiency of 14.34%, and a V oc of 1.20 V, retaining 96% initial efficiency after 1440 h under ambient conditions (RH = 50-60%) without encapsulation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

How the Size and Density of Charge-Transfer Excitons Depend on Heterojunction’s Architecture

We have characterized the size, intensity, density, and distribution of charge-transfer (CT) excitons as a function of the acceptor–donor architecture of prototypical organic interfaces. This characterization was done by computational analysis of 17 models of varying numbers, positions, and orientations of the donor and acceptor molecules. The models’ building blocks were phenyl-C61-butyric acid methyl ester (PCBM) fullerene acceptors and dual-band donor polymers composed of thiophene, benzothiadiazole, and benzotriazole subunits. The electronic structure of the donor–acceptor complexes was computed with the time-dependent long-range-corrected density-functional tight-binding method and analyzed with the fragment-based one-electron transition density matrix. In all models, the complexes with edge-on orientation have denser spectra of low-energy CT states lying below the absorption bands compared to the complexes with face-on orientation. This CT-state distribution in edge-on complexes provides a gate to efficiently populate cold CT excitons. Moreover, the cold CT excitons have a higher degree of charge separation in the edge-on than in the face-on complexes. The CT amount and the CT exciton size generally increase with the energy of the CT states, although the electron remains localized on a single molecule in cold CT states. Delocalization over two PCBM molecules was observed for high-energy CT states. The exciton size also depends on the orientation. Larger excitons are produced by the delocalization of the electrons perpendicularly to the interface. When the delocalization is parallel, the smaller electron–hole distances yield moderately sized CT excitons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Deciphering the Scattering of Mechanically Driven Polymers Using Deep Learning

Here, we present a deep learning approach for analyzing two-dimensional scattering data of semiflexible polymers under external forces. In our framework, scattering functions are compressed into a three-dimensional latent space using a Variational Autoencoder (VAE), and two converter networks establish a bidirectional mapping between the polymer parameters (bending modulus, stretching force, and steady shear) and the scattering functions. The training data are generated using off-lattice Monte Carlo simulations to avoid the orientational bias inherent in lattice models, ensuring robust sampling of polymer conformations. The feasibility of this bidirectional mapping is demonstrated by the organized distribution of polymer parameters in the latent space. By integrating the converter networks with the VAE, we obtain a generator that produces scattering functions from given polymer parameters and an inferrer that directly extracts polymer parameters from scattering data. While the generator can be utilized in a traditional least-squares fitting procedure, the inferrer produces comparable results in a single pass and operates 3 orders of magnitude faster. This approach offers a scalable automated tool for polymer scattering analysis and provides a promising foundation for extending the method to other scattering models, experimental validation, and the study of time-dependent scattering data.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2024

Jet-hadron correlations with respect to the event plane in $\sqrt{s_{NN}}$ = 200 GeV Au + Au collisions in STAR

Angular distributions of charged particles relative to jet axes are studied in $\sqrt{s_{NN}}$ = 200 GeV Au+Au collisions as a function of the jet orientation with respect to the event plane. This differential study tests the expected path-length dependence of energy loss experienced by a hard-scattered parton as it traverses the hot and dense medium formed in heavy-ion collisions. A second-order event plane is used in the analysis as an experimental estimate of the reaction plane formed by the collision impact parameter and the beam direction. Charged-particle jets with 15 < 𝑝 T,jet < 20 and 20 < 𝑝 T,jet < 40 ⁢GeV/𝑐 were reconstructed with the anti-𝑘 T algorithm with radius parameter setting of 𝑅 = 0.4 in the 20–50% centrality bin to maximize the initial-state eccentricity of the interaction region. The reaction plane fit method is implemented to remove the flow-modulated background with better precision than prior methods. Yields and widths of jet-associated charged-hadron distributions are extracted in three angular bins between the jet axis and the event plane. The event-plane (EP) dependence is further quantified by ratios of the associated yields in different EP bins. No dependence on orientation of the jet axis with respect to the event plane is seen within the uncertainties in the kinematic regime studied. This finding is consistent with a similar experimental observation by ALICE in $\sqrt{s_{NN}}$ = 2.76 TeV Pb-Pb collision data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2020

Goal-Oriented Architecture for Telescope Control Software

Modern telescope control systems control a multitude of sensors and actuators physically distributed across subsystems. Traditionally, control systems are specified to compute system outputs based on reference setpoints despite environmental or internal disturbances. The control strategies are typically tightly coupled and very prescriptive, defining how exactly the control is to be achieved. In a goal-oriented approach, the control system architecture emphasizes the operational aspect, specifying the behavior at a higher level in terms of operational goals, considering several aspects such as environmental conditions and required wavefront quality. The result is an architecture that can more autonomously handle different control strategies, taking into account systematically the physical states of the system which are relevant for control. This paper demonstrates the feasibility of a goal-oriented approach by analyzing four fundamental functions: pointing, tracking, offsetting, and dome vignetting. The resulting SysML analysis and design models are used to develop a software prototype for distributed telescope control. Typical operational scenarios are discussed and compared to the ESO Very Large Telescope control software architecture.

Karban, R.↗
DOE OSTI2021

Integrating helicoid channels for passive control of fiber alignment in direct-write 3D printing

3D printing of fiber-reinforced composites has been receiving increasing attention as an efficient additive approach enabling lightweight, functional, and high-performance components required for industrial applications. The properties of fiber composites significantly depend on internal microstructures, including fiber orientation, distribution, and degree of alignment. Although multiple strategies have been introduced for controlling the fiber composites microstructures, these strategies are mostly active approaches relying on additional control of mechatronics parts, external forces, or intentionally introduced unstable flows inside narrow nozzles. These methods suffer from higher risk of nozzle clogging and requiring extra parts in 3D printing. Here, we introduce helicoid channels into extrusion system as a passive approach to control the fiber alignment without any additional moving parts in direct-write 3D printing. The helicoid channels automatically guide the composite inks and align fibers before flowing into narrow nozzle space, avoiding clogging and improving printability. The analyses indicate that both helicoid surface to volume ratio and helix angle affect the pre-alignment of fibers, leading to tunable mechanical properties of printed fiber-reinforced composites with increased stiffness and strength up to 77.6% and 47.8%, respectively.

36 MATERIALS SCIENCE↗
NASA NTRS1985

The evolution of rifting process in the tectonic history of the Earth

The continental rifting is the response of the lithosphere to the oriented tension. The distribution of viscosity in the lithosphere plays an essential role during all stages of the rifting. The viscosity is a function of the temperature, the lithostatic pressure, the rock composition, the deformation rate and other factors. The temperature is the most important factor. The vertical section of continental lithosphere of the rift zone may be divided into the following layers: the upper crust, in which brittle deformation prevails; the medialcrust, in which the role of plastic deformation increases; the lower crust, in which plastic deformation prevails; and the uppermost plastic part of the mantle overlapping asthenosphere. The depth of the boundaries in the crust layers are mainly controlled by the temperature.

Milanovsky, E. E.↗
NASA NTRS1989

Agglomeration of ceramic powders

A research program directed at a critical comparison of numerical models for power agglomeration with experimental observations is currently underway. Central to this program is the quantitative characterization of the distribution of mass within an agglomerate as a function of time. Current experiments are designed to restrict agglomeration to a surface, which is oriented perpendicular to the force of gravity. These experiments are discussed with reference to: their significance to ceramic processing; artifacts which may be avoided in microgravity experiments; and the comparison of information available in real space (from optical microscopy) to that in reciprocal space (from light scattering). The principle machine requirement appears to be a need to obtain information at small scattering angles.

Cawley, James D.↗
NASA NTRS2008

E-Standards For Mass Properties Engineering

A proposal is put forth to promote the concept of a Society of Allied Weight Engineers developed voluntary consensus standard for mass properties engineering. This standard would be an e-standard, and would encompass data, data manipulation, and reporting functionality. The standard would be implemented via an open-source SAWE distribution site with full SAWE member body access. Engineering societies and global standards initiatives are progressing toward modern engineering standards, which become functioning deliverable data sets. These data sets, if properly standardized, will integrate easily between supplier and customer enabling technically precise mass properties data exchange. The concepts of object-oriented programming support all of these requirements, and the use of a JavaTx based open-source development initiative is proposed. Results are reported for activity sponsored by the NASA Langley Research Center Innovation Institute to scope out requirements for developing a mass properties engineering e-standard. An initial software distribution is proposed. Upon completion, an open-source application programming interface will be available to SAWE members for the development of more specific programming requirements that are tailored to company and project requirements. A fully functioning application programming interface will permit code extension via company proprietary techniques, as well as through continued open-source initiatives.

Cerro, Jeffrey A.↗
DOE OSTI2021

Effects of Zr addition on lattice strains and electronic structures of NbTaTiV high-entropy alloy

We report the room-temperature (RT) deformation behavior for two single-phase body-centered-cubic (BCC) refractory high-entropy alloys (RHEAs), NbTaTiV and NbTaTiVZr, has been comprehensively investigated via in-situ neutron-diffraction experiments. Our work shows that the addition of Zr leads to the transition of mechanical response from ductile to brittle behavior. The results of lattice-strain evolutions obtained from in-situ neutron diffraction for the ductile NbTaTiV RHEA exhibit atypical plastic-deformation behavior, i.e., the reduced plasticanisotropic deformation, leading to an even distribution of the applied stress amongst the grains with different orientations rather than forming stress concentrations in {200}-oriented grains during plastic-deformation. Density functional theory (DFT) analysis shows that NbTaTiVZr has a lower electron density at the Fermi level, larger lattice distortion, and stronger charge transfer, as compared to NbTaTiV, suggesting higher strength and lower ductility in NbTaTiVZr, which are consistent with the current experimental results.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Canopy bidirectional reflectance dependence on leaf orientation

The dependence of the bidirectional reflectance (BR) on the inclination and azimuthal orientation of a leaf is analyzed, with the primary assumption that, in terms of both obscuration and shadowing, the entire canopy consists of the same leaves. The BR patterns of a dense canopy are examined as a function of canopy architecture. It is assumed that the leaves are opaque Lambertian reflectors, having identical orientation and relfecting properties throughout the canopy, and distributed randomly with respect to the the irradiation field and the viewing direction. Analytical expressions are presented and analyzed for the BR factor. It is noted that maximal BR occurs at large viewing zenith angles. A complex and often steep dependence of the BR on azimuthal location is reported, noting that the BR thus depends on the leaf azimuth as well as the zenith angle. It is concluded that the question of azimuthal distribution has to be addressed when conducting model inversions to infer canopy characteristics and architecture.

Brakke, Thomas W.↗
DOE OSTI2020

Multi-modal Free-moving Data Fusion (MFDF) v1.0

Multi-modal Free-moving Data Fusion (MFDF) is a python package that implements low and high-level functionality for performing qualitative and quantitative gamma-ray imaging analyses. Such analyses enable the use of gamma-ray spectrometers and/or imagers to estimate the distribution and quantity of radiological materials in an environment. Free-moving 3D imaging requires additional information about the 3D trajectory and orientation of the system, however all of these methods can be applied to 2D static gamma-ray imaging as well. The package includes methods (MLEM and MAP) for distributed source reconstruction, methods (PSL) for point source reconstruction, the ability to ingest and utilize quantitative detector response functions (for absolute analyses), and the ability to perform 3D estimation of dose-rates from quantitative reconstructions.

Joshi, Tenzing↗
DOE OSTI2022

Functional soft materials and methods of making and using thereof

Disclosed are functional materials for use in additive manufacturing (AM). The functional material can comprise an elastomeric composition (e.g., a silicone composite) for use in, for example, direct ink writing. The elastomeric composition can include and elastomeric resin, and a magnetic nanorod filler dispersed within the elastomeric resin. Nanorod characteristics (e.g., length, diameter, aspect ratio) can be selected to create 3D-printed constructs with desired mechanical properties along different axes. Furthermore, since nickel nanorods are ferromagnetic, the spatial distribution and orientation of nanorods within the continuous phase can be controlled with an external magnetic field. This level of control over the nanostructure of the material system offers another degree of freedom in the design of functional parts and components with anisotropic properties. Magnetic fields can be used to remotely sense compression of the constructs, or alternatively, control the stiffness of these materials.

Berkland, Cory↗
DOE OSTI2024

Functional soft materials and methods of making and using thereof

Disclosed are functional materials for use in additive manufacturing (AM). The functional material can comprise an elastomeric composition (e.g., a silicone composite) for use in, for example, direct ink writing. The elastomeric composition can include an elastomeric resin, and a magnetic nanorod filler dispersed within the elastomeric resin. Nanorod characteristics (e.g., length, diameter, aspect ratio) can be selected to create 3D-printed constructs with desired mechanical properties along different axes. Furthermore, since nickel nanorods are ferromagnetic, the spatial distribution and orientation of nanorods within the continuous phase can be controlled with an external magnetic field. This level of control over the nanostructure of the material system offers another degree of freedom in the design of functional parts and components with anisotropic properties. Magnetic fields can be used to remotely sense compression of the constructs, or alternatively, control the stiffness of these materials.

Berkland, Cory↗
NASA NTRS1988

Extremely luminous far-infrared colliding galaxies - Computation of colliding-galaxy luminosity function

A computational model used to determine the luminosity function for gaseous galaxies in collision is described. It is based on the assumption of high-velocity encounters of two thin, gas-rich disks having identical radii and thickness, able to approach each other from arbitrary directions, with arbitrary orientations and with arbitrary degree of overlap. The distribution of expected luminosities generated in the dissipation of translational energy is then found to closely fit the observed distribution of luminosities of extremely luminous IRAS galaxies. Bursts of star formation resulting from such collisions would not have the correct luminosity function.

Harwit, Martin↗