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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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3,206 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Achieving 20.1% Efficiency in Organic Solar Cells Through Interconnected Fibrillar Networks via Local Molecular Stacking

ABSTRACT The performance of organic solar cells (OSCs) is governed by how molecular packing evolves into interconnected networks that facilitate exciton dissociation and charge transport. Using an all‐small‐molecule blend DR3TSBDT:Y6 as a model system, we study how local molecular stacking evolves into performance‐relevant morphology during solvent vapor annealing (SVA) and subsequent thermal annealing (TA). SVA promotes end‐to‐end stacking of amorphous acceptors to form interconnected fibrils, while TA compacts inter‐fibril spacing without disrupting favorable local order. Such molecular‐to‐morphological refinements broaden light absorption, enhance charge transport, and markedly improve device efficiency. Extending this approach to additional blend systems (D18:Y6, D18:L8‐BO, and DR3TSBDT:L8‐BO) yields similar structural evolution and performance gains, with the D18:L8‐BO system achieving up to 20.10% PCE. Our study establishes control over local stacking in amorphous acceptors into fibrillar networks as a general and effective route to realize high‐performance OSCs.

Wu, Junying↗
NASA NTRS1993

Laser Welding Dissimilar Reflective Alloys

This project, jointly sponsored by Rocketdyne and CSTAR, involves the development of laser joining of materials which have heretofore been impractical to bond. Of particular interest are joints between stainless steel and copper and also aluminum 6061 to aluminum 2219. CSTAR has a unique opportunity in this area since both the process and development and diagnostics are of interest to industry. Initial results using the pulse tailored laser welding technique developed in CLA for joining crack sensitive materials have proven promising for the aluminum joints based upon metallurgical and electronic microprobe analysis. A declaration of success requires additional mechanical testing. A CW technique has been applied to the stainless-copper joining with some preliminary success. These joints are of significant interest for aeronautics and rocket propulsion applications and the project is expected to continue.

M H Mccay↗
NASA NTRSDate not supplied

OverFlight: Graphical Flight Operations Planning

OverFlight is an in-development graphical user interface (GUI) that implements a state-of-the-art rotorcraft maneuvering noise model using a source noise hemisphere approach coupled with the Aircraft NOise Prediction Program 2 (ANOPP2). This GUI stems from a demand for easy-to-use mission planning and community impact acoustic tools that can model the maneuvering flight of a rotary-wing vehicle. This paper covers the models used for the development of OverFlight and model validation efforts. Data from a joint NASA/Army flight test of an MD530F aircraft are used both for source noise hemispheres as well as maneuvering flight data. Analysis of the predicted maneuvering noise shows better agreement that traditional methods currently employed, while also demonstrating maneuvers where the underlying assumptions fail to hold.

rotorcraft↗
NASA NTRS1993

Thermally-Choked Combustor Technology

A program is underway to demonstrate the practical feasibility of thermally-choked combustor technology with particular emphasis on rocket propulsion applications. Rather than induce subsonic to supersonic flow transition in a geometric throat, the goal is to create a thermal throat by adding combustion heat in a diverging nozzle. Such a device would have certain advantages over conventional flow accelerators assuming that the pressure loss due to heat addition does not severely curtail propulsive efficiency. As an aid to evaluation, a generalized one-dimensional compressible flow analysis tool was constructed. Simplified calculations indicate that the process is fluid dynamically and thermodynamically feasible. Experimental work is also being carried out in an attempt to develop, assuming an array of practical issues are surmountable, a practical bench-scale demonstrator using high flame speed H2/O2 combustibles.

William H. Knuth↗
NASA NTRS1994

Nickel cadmium battery operations and performance

The Earth Radiation Budget Satellite (ERBS), Compton Gamma Ray Observatory (CGRO), Upper Atmosphere Research Satellite (UARS), and Extreme Ultraviolet Explorer (EUVE) spacecraft are operated from NASA's Goddard Space Flight Center (GSFC) in Greenbelt, Maryland. On-board power subsystems for each satellite employ NASA Standard 50 Ampere-hour (Ah) nickel-cadmium batteries in a parallel configuration. To date, these batteries have exhibited degradation over periods from several months (anomalous behavior, UARS and CGRO (MPS-1); to little if any, EUVE) to several years (old age, normal behavior, ERBS). Since the onset of degraded performance, each mission's Flight Operations Team (FOT), under the direction of their cognizant GSFC Project Personnel and Space Power Application Branch's Engineers has closely monitored the battery performance and implemented several charge control schemes in an effort to extend battery life. Various software and hardware solutions have been developed to minimize battery overcharge. Each of the four sections of this paper covers a brief overview of each mission's operational battery management and its associated spacecraft battery performance. Also included are new operational procedures developed on-orbit that may be of special interest to future mission definition and development.

Rao, Gopalakrishna↗
DOE OSTI2024

A Novel Approach to Investigate Thermal Protection Systems Materials

The Koo Research Group (KRG) at The University of Texas at Austin (UT) and KAI has specialized in “Ablation Research” for more than fifteen years. Recently, the group has developed several incredibly unique capabilities that can advance “Thermal Protection Systems (TPS) Materials Research & Development” using an integrated experimental and numerical approach. The paper aims to introduce the methodology KRG has developed to solve this challenging problem. It will discuss how the KRG develops “Process-Properties-Performance” relationships of novel TPS materials in a systematical approach using (a) processing and fabrication, (b) thermal characterization of properties, (c) aerothermal testing, (d) microstructures characterization and analysis, and (e) numerical modeling. Progress and challenges of this research will also be discussed.

Engineering↗
DOE OSTI2026

Explainable machine learning reveals that local structural motifs encode the thermodynamic state across the CuZr metallic glass-forming range

Metallic glasses derive their properties from the statistics of local atomic motifs rather than from long-range order, yet a quantitative, chemistry-specific link between motif populations and the underlying glassy state has remained elusive. In this work we combine large-scale molecular dynamics, Voronoi tessellation, deep neural networks, and SHapley Additive exPlanations (SHAP) to identify which local structural motifs define the glassy state of Cu—Zr metallic glasses. A dataset of 17,180 atomistic configurations spanning ten compositions (Cu 20 Zr 80 –Cu 80 Zr 20 ) and four quench rates (10 9 –10 12 K/s) is used to train a feed-forward neural network that regresses temperature across the 50–2000 K liquid–supercooled–glass range, achieving a mean absolute error of 19.89 K and R 2 = 0.9974, confirming that the local structural state is faithfully encoded in motif-level structure. SHAP analysis then reveals that a tightly coupled near-icosahedral family of motifs (coordination numbers (CN) 11–13, including the full icosahedron 001200 and its single-atom-perturbation sibling 10930) collectively encodes the thermodynamic state of the system across the full glass-forming range. The CN = 11–13 ordered members carry negative SHAP values at high populations, tracking the most deeply-quenched configurations, while 10930 shows the reversed signature consistent with its role as a soft-spot host whose population shrinks as the icosahedral network deepens. The analysis demonstrates that explainable machine learning can isolate the minimal motif vocabulary defining the glassy state and recovers the near-icosahedral building blocks previously identified by data-driven analyses of Cu—Zr. The approach provides a general, chemistry-specific route for characterizing the structural state of disordered materials.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Advanced Non-Intrusive Instrumentation for Propulsion Engines

Changes in engine technology such as higher temperatures, higher tip speeds, new metal/composite/ceramic materials together with radical changes in design philosophy will require amongst other prerequisites the ability to measure and to monitor key internal gas and structural characteristics. The symposium papers presented non-intrusive measurement and analysis technologies in the following categories: Laser Point Measurements (11); Absorption and Infrared Techniques (4); Paints - Surface Sensors (6); Laser Induced Fluorescence (6); Mechanical (7); Films (5); Laser Planar Measurement (9); and a Keynote Address.

Propulsion↗
NASA NTRS1976

Reanalysis of the Apollo Cosmic Gamma-Ray Spectrum in the 0.3- to 10-MeV Energy Region

Additional data obtained from the Apollo-16 and -17 missions, together with collateral calculations on background radiation effects, have enabled an improved subtraction of unwanted backgrounds from the diffuse cosmic gamma-ray data previously reported from Apollo-15. As a result, the 1- to 10-MeV spectrum is lowered significantly and connects smoothly with recent data at other energies. The inflections reported previously is much less pronounced and has no more than a 1.5-σ significance. Sky occultation by the Apollo-16 spacecraft shows the bulk of the 0.3-- to 1-MeV radiation to be diffuse. The analysis of spurious backgrounds points to important improvements for future experiments designed for this spectral region.

Gamma Rays↗
DOE OSTI2025

Reconfigurable structural color by reversible switching of colloidal discoid liquid crystal alignment

Combining the effects of alternating-current (AC) electric fields and sedimentation reconfigures colloidal discoids between planar and homeotropic orientational alignments, thereby controlling the material’s structural color. Here, we self-assemble micrometer-size polystyrene discoids in an isopropanol-water mixture. After sedimentation, the discoids adopt a homeotropic alignment, with the minor axis perpendicular to the substrate. Adding an AC electric field (1 kHz) of ≥0.50 V switches the discoids to planar alignment—with the minor axis parallel to the substrate—within ∼100 s. Removing the field switches them back to homeotropic alignment within ∼300 s. Kinetic modeling of the field-induced torques yields good agreement with these measurements. The peak wavelength and intensity of the crystal’s diffraction response shift significantly upon reconfiguration; scattering simulation predicts these shifts. The reconfiguration is maintained for at least 10 cycles. This method is a simple, scalable avenue to reconfigure the optical properties of colloidal crystals produced from simple dielectric spheroids.

colloidal crystals↗
NASA NTRSDate not supplied

Three-Dimensional, Multi-Phase Unsteady Flow of Water Undergoing Multiple Flow Regimes (Free Surface, Droplet, and Fluid Film)

Upgrades to the Mobile Launcher Rainbird nozzles were implemented for the Artemis II launch to increase water flow rates and improve the mobile launcher deck water coverage while minimizing the water throw distance to avoid impacting the Space Launch System (SLS) rocket nozzles. This analysis describes the use of a three-dimensional, multi-phase, free surface transient computational fluid dynamics (CFD) model to simulate the water flowing out through the Rainbird nozzle and ensure compliance with current Artemis requirements. Flow rates, pressures, velocities, nozzle throw distances and coverage areas were analyzed to ensure that system requirements are met. The completed results were used to make necessary modifications to the Ignition Overpressure Protection and Sound Suppression (IOP/SS) system Rainbird design by reshaping the nozzle used in the system.

CFD↗
DOE OSTI2025

Collective behavior of “flexicles”

In recent years the functionality of synthetic active microparticles has edged even closer to that of their biological counterparts. However, we still lack the understanding needed to recreate at the microscale key features of autonomous behavior exhibited by microorganisms or swarms of macroscopic robots. In this study, we propose a model for a three-dimensional deformable cellular composite particle consisting of self-propelled rod-shaped colloids confined within a flexible vesicle—representing a superstructure we call a “flexicle” that couples particle deformation to the internal dynamics of the internal active components. Using molecular dynamics simulations, we investigate the collective behavior of dense systems composed of many flexicles. We show that individual flexicles exhibit shape changes upon collisions with other flexicles that lead to rearrangements of the internal active rods, which slows flexicle motion. This shape deformability gives rise to a diverse set of motility-induced phase separation phenomena and the spontaneous flow of flexicles reminiscent of the migration of cells in dense tissues. Our findings establish a foundation for designing responsive, cell-like active particles and developing strategies for controlling swarm migration and other autonomous swarm behaviors at cellular and colloidal scales.

Science & Technology - Other Topics↗
DOE OSTI2024

RMCProfile7 : reverse Monte Carlo for multiphase systems

This work introduces a completely rewritten version of the programRMCProfile(version 7), big-box, reverse Monte Carlo modelling software for analysis of total scattering data. The major new feature ofRMCProfile7is the ability to refine multiple phases simultaneously, which is relevant for many current research areas such as energy materials, catalysis and engineering. Other new features include improved support for molecular potentials and rigid-body refinements, as well as multiple different data sets. An empirical resolution correction and calculation of the pair distribution function as a back-Fourier transform are now also available.RMCProfile7is freely available for download at https://rmcprofile.ornl.gov/.

Chemistry↗
NASA NTRS2026

Equivalent System Mass Comparison of ECLSS CO2 Removal Technologies

This project employs equivalent system mass (ESM) analyses to evaluate and compare state-of-the-art spacecraft CO2 removal systems. The ESM methodology converts sizing characteristics such as volume, power, and cooling requirements into a unified metric of mass, allowing for simple quantitative comparison of equipment impacts on a system level. Comparison of six high TRL technologies – the Carbon Dioxide Removal System (CDRS), Thermal Amine Scrubber (TAS), Carbon Dioxide Removal Assembly (CDRA), Four-Bed CO2 Scrubber (4BCO2), CO2 and Humidity Control Swing Bed (CHC), and the Carbon Dioxide Removal by Ionic Liquid Sorbent (CDRILS) – was achieved using an existing ESM spreadsheet tool that formerly ranked such technologies for consideration on Gateway. Fidelity of the tool was increased through revision with the most up-to-date sizing and performance data for each technology. ESM values were then estimated using NASA-supplied Lunar, Martian, and low-Earth orbit habitat infrastructure costs. This paper details the ESM approach used, lists major performance variables for each CO2 removal option, and summarizes conclusions of the technology comparison. The results are intended to act as a guide to assist programs in their selection of CO2 technologies best suited for a specific vehicle or mission.

Madeleine C Oliver↗
DOE OSTI2025

Revealing the evolution of order in materials microstructures using multi-modal computer vision

The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microstructural order. Our present understanding is typically derived from laborious manual analysis of imaging and spectroscopy data, which is difficult to scale, challenging to reproduce, and lacks the ability to reveal latent associations needed for mechanistic models. Here, we demonstrate a multi-modal machine learning (ML) approach to describe order from electron microscopy analysis of the complex oxide La 1−x Sr x FeO 3 . We construct a hybrid pipeline based on fully and semi-supervised classification, allowing us to evaluate both the characteristics of each data modality and the value each modality adds to the ensemble. We observe distinct differences in the performance of uni- and multi-modal models, from which we draw general lessons in describing crystal order using computer vision.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Predicting microstructurally sensitive fatigue‐crack path in WE43 magnesium using high‐fidelity numerical modeling and three‐dimensional experimental characterization

Abstract Microstructurally small fatigue‐crack growth in polycrystalline materials is highly three‐dimensional due to sensitivity to local microstructural features (e.g., grains). One requirement for modeling microstructurally sensitive crack propagation is establishing the criteria that govern crack evolution, including crack deflection. Here, a high‐fidelity finite‐element modeling framework is used to assess the performance and validity of various crack‐growth criteria, including slip‐based metrics (e.g., fatigue‐indicator parameters), as potential criteria for predicting three‐dimensional crack paths in polycrystalline materials. The modeling framework represents cracks as geometrically explicit discontinuities and involves voxel‐based remeshing, mesh‐gradation control, and a crystal‐plasticity constitutive model. The predictions are compared to experimental measurements of WE43 magnesium samples subject to fatigue loading, for which three‐dimensional grain structures and fatigue‐crack surfaces were measured post‐mortem using near‐field high‐energy x‐ray diffraction microscopy and x‐ray computed tomography. Findings from this work are expected to improve the predictive capabilities of simulations involving microstructurally small fatigue‐crack growth in polycrystalline materials.

Engineering↗
DOE OSTI2023

Triphenylborane in Metal-Free Catalysis

The development and application of new organoboron reagents as Lewis acids in synthesis and metal-free catalysis have dramatically expanded over the past 20 years. In this context, we will show the recent uses of the simple and relatively weak Lewis acid BPh 3 —discovered 100 years ago—as a metal-free catalyst for various organic transformations. The first part will highlight catalytic applications in polymer synthesis such as the copolymerization of epoxides with CO 2 , isocyanate, and organic anhydrides to various polycarbonate copolymers and controlled diblock copolymers as well as alternating polyurethanes. This is followed by a discussion of BPh 3 as a Lewis acid component in the frustrated Lewis pair (FLP) mediated cleavage of hydrogen and hydrogenation catalysis. In addition, BPh 3 -catalyzed reductive N-methylations and C-methylations with CO 2 and silane to value-added organic products will be covered as well along with BPh 3 -catalyzed cycloadditions and insertion reactions. Collectively, this mini-review showcases the underexplored potential of commercially available BPh3 in metal-free catalysis.

Lewis acid↗
NASA NTRS2026

Equivalent System Mass Comparison of ECLSS CO 2 Removal Technologies

This project employs equivalent system mass (ESM) analyses to evaluate and compare state-of-the-art spacecraft CO 2 removal systems. The ESM methodology converts sizing characteristics such as volume, power, and cooling requirements into a unified metric of mass, allowing for simple quantitative comparison of equipment impacts on a system level. Comparison of six high TRL technologies – the Carbon Dioxide Removal System (CDRS), Thermal Amine Scrubber (TAS), Carbon Dioxide Removal Assembly (CDRA), Four-Bed CO 2 Scrubber (4BCO2), CO 2 and Humidity Control Swing Bed (CHC), and the Carbon Dioxide Removal by Ionic Liquid Sorbent (CDRILS) – was achieved using an existing ESM spreadsheet tool that formerly ranked such technologies for consideration on Gateway. Fidelity of the tool was increased through revision with the most up-to-date sizing and performance data for each technology. ESM values were then estimated using NASA-supplied Lunar, Martian, and low-Earth orbit habitat infrastructure costs. This paper details the ESM approach used, lists major performance variables for each CO 2 removal option, and summarizes conclusions of the technology comparison. The results are intended to act as a guide to assist programs in their selection of CO 2 technologies best suited for a specific vehicle or mission.

Madeleine Oliver↗