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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Elucidation of the Reaction Mechanism for High-Temperature Water Gas Shift over an Industrial-Type Copper–Chromium–Iron Oxide Catalyst

The water gas shift (WGS) reaction is of critical importance for the chemical industry, as it constitutes, coupled with methane reforming, the main industrial route to produce hydrogen. Copper–chromium–iron oxide-based catalysts have been widely used for the high-temperature WGS reaction industrially. The WGS reaction mechanism by the CuCrFeO x catalyst has been debated for years, mainly between a “redox” mechanism involving the participation of atomic oxygen from the catalyst and an “associative” mechanism proceeding via a surface formate-like intermediate. Here, advanced in situ characterization techniques (infrared spectroscopy, temperature-programmed surface reaction (TPSR), near-ambient pressure XPS (NAP-XPS), and inelastic neutron scattering (INS)) were applied to determine the nature of the catalyst surface and identify surface intermediate species under WGS reaction conditions. The surface of the CuCrFeO x catalyst is found to be dynamic and becomes partially reduced under WGS reaction conditions, forming metallic Cu nanoparticles on Fe 3 O 4 . Neither in situ IR not INS spectroscopy detect the presence of surface formate species during WGS. TPSR experiments demonstrate that the evolution of CO 2 and H 2 from the CO/H 2 O reactants follows different kinetics than the evolution of CO 2 and H 2 from HCOOH decomposition (molecule mimicking the associative mechanism). Steady-state isotopic transient kinetic analysis (SSITKA) (CO + H 2 16 O → CO + H 2 18 O) exhibited significant 16 O/ 18 O scrambling, characteristic of a redox mechanism. Computed activation energies for elementary steps for the redox and associative mechanism by density functional theory (DFT) simulations indicate that the redox mechanism is favored over the associative mechanism. The combined spectroscopic, computational, and kinetic evidence in the present study finally resolves the WGS reaction mechanism on the industrial-type high-temperature CuCrFeO x catalyst that is shown to proceed via the redox mechanism.

SSITKA↗
DOE OSTI2023

Investigation of the Role of the Role of Nuclear Physics in Heavy Element Nucleosynthesis, through the Study of Key Reactions, and the Improvement of Theoretical Reaction Rates (Final Report)

Neutrino-driven winds in core-collapse supernovae have been identified as a possible site for the production of elements heavier than iron. Traditionally, these neutrino-driven winds have been proposed as the site of the main r-process. Recent simulations fail to reproduce the conditions required for the main r-process. while they remain a promising site for producing the lightest elements beyond iron, e.g., Sr, Y, and Zr through the νp process. The efficiency of the νp process depends on the hydrodynamical conditions, the electron fraction (which is related to the neutrino properties), and the nuclear reactions on many short-lived nuclei with limited (if at all) experimental information. The reaction rates on these nuclei are based on theoretical predictions using the Hauser-Feshbach model. Recent sensitivity studies have highlighted the importance of neutron-induced reactions on these nuclei along the νp process path. This work aimed to experimentally constrain reaction rates that are known to play a key role in the neutrino-p process nucleosynthesis. A secondary subsequently-added objective was to start the implementation of techniques that improve the description of nuclear properties in the Hauser-Feshbach model by extending the microscopic nuclear level density description offered via the shell model to high excitation energies without using experiment-based renormalizations. The main objective of this work was the experimental constraint of the 56 Ni(n,p) 56 Co reaction rate via a measurement of the inverse reaction 56 Co(p,n) 56 Ni at the National Superconducting Cyclotron Laboratory (NSCL) and later the Facility for Rare Isotope Beams (FRIB). This reaction is considered the key one for determining the yields possible by the neutrino-p process. A technique for this type of measurement in inverse kinematics at low energies did not exist before this work. The work also had two secondary objectives. First, to contribute to efforts to measure the same reaction in direct kinematics using a radioactive target at Los Alamos National Laboratory (LANL), and second, to advance work to implement shell-model-deduced microscopic level densities in Hauser-Feshbach calculations. The project has resulted in the development of the first technique to perform (p,n) cross-section measurements in relevant-for-astrophysics low energies in inverse kinematics using a magnetic spectrometer or separator, and neutron detectors for neutron tagging. It has also resulted in the precise measurement of the cross-section of the 40 Ar(p,n) 40 K reaction in a proof-of-principle experiment realized by using a beam-line quadrupole of the ReA3 accelerator of NSCL/FRIB. As part of this project the technique was successfully adapted to make use of the superior acceptance of the Separator for Capture Reactions (SECAR) at FRIB. In this project, the required experimental setup simulations and beam optics were developed and tested with the measurement of the 58 Fe(p,n) 58 Cu reaction cross-section. Additionally, this project contributed with simulation work to the development of a technique to measure (n,p) reactions with radioactive targets at LANL, and which resulted in the measurement of the key 56 Ni(n,p) 56 Co reaction cross-section at neutron energies above ≈1 MeV. Last, the project initiated work in the development of shell model based level densities using the moments method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

SSSFD manipulator engineering using statistical experiment design techniques

The Satellite Servicer System Flight Demonstration (SSSFD) program is a series of Shuttle flights designed to verify major on-orbit satellite servicing capabilities, such as rendezvous and docking of free flyers, Orbital Replacement Unit (ORU) exchange, and fluid transfer. A major part of this system is the manipulator system that will perform the ORU exchange. The manipulator must possess adequate toolplate dexterity to maneuver a variety of EVA-type tools into position to interface with ORU fasteners, connectors, latches, and handles on the satellite, and to move workpieces and ORUs through 6 degree of freedom (dof) space from the Target Vehicle (TV) to the Support Module (SM) and back. Two cost efficient tools were combined to perform a study of robot manipulator design parameters. These tools are graphical computer simulations and Taguchi Design of Experiment methods. Using a graphics platform, an off-the-shelf robot simulation software package, and an experiment designed with Taguchi's approach, the sensitivities of various manipulator kinematic design parameters to performance characteristics are determined with minimal cost.

Barnes, John↗
NASA NTRS1992

Numerical simulation of entry flow over blunt swept-wing planes

Viscous, heat-conducting flow with chemical and vibrational relaxation processes of the constituent gases surrounding winged spacecraft is considered in the continuum regime. The Navier-Stokes equations are appended by additional vibrational energy and species rate equations and supplemented by the equations of state and the phenomenological laws based on mixture rules or collisional cross sections. Numerical convective flux can be obtained from several forms of one-dimensional Riemann solver, with or without entropy correction. High-order accuracy is obtained from two types of reconstructive interpolation. A number of explicit and implicit numerical schemes have been implemented as a means to yield converged solutions. Both shock-fitting, finite-difference and shock-capturing, finite-volume techniques have been tested for configurations such as a sphere, double ellipsoid, blunt-edge delta wing, a European Hermes vehicle, and the U.S. Shuttle Orbiter. The shock-fitting code provides excellent results only for simple configurations, whereas the shock-capturing code leads to overall satisfying solutions for complex geometries.

Li, C. P.↗
DOE OSTI2017

Acceleration of collimated 45 MeV protons by collisionless shocks driven in low-density, large-scale gradient plasmas by a 10 20 W/cm 2 , 1 µm laser

A new type of proton acceleration stemming from large-scale gradients, low-density targets, irradiated by an intense near-infrared laser is observed. The produced protons are characterized by high-energies (with a broad spectrum), are emitted in a very directional manner, and the process is associated to relaxed laser (no need for high-contrast) and target (no need for ultra-thin or expensive targets) constraints. As such, this process appears quite efective compared to the standard and commonly used Target Normal Sheath Acceleration technique (TNSA), or more exploratory mechanisms like Radiation Pressure Acceleration (RPA). The data are underpinned by 3D numerical simulations which suggest that in these conditions a Low Density Collisionless Shock Acceleration (LDCSA) mechanism is at play, which combines an initial Collisionless Shock Acceleration (CSA) to a boost procured by a TNSA-like sheath feld in the downward density ramp of the target, leading to an overall broad spectrum. Experiments performed at a laser intensity of 10 20 W/cm 2 show that LDCSA can accelerate, from ~1% critical density, mm-scale targets, up to 5×109 protons/MeV/sr/J with energies up to 45(±5) MeV in a collimated (~6° half-angle) manner.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Near-infrared C-term MCD spectroscopy of octahedral uranium (V) complexes

C-term magnetic circular dichroism (MCD) spectroscopy is a powerful method for probing d–d and f–f transitions in paramagnetic metal complexes. However, this technique remains underdeveloped both experimentally and theoretically for studies of U(V) complexes of Oh symmetry, which have been of longstanding interest for probing electronic structure, bonding, and covalency in 5f systems. In this study, C-term NIR MCD of the Laporte forbidden f–f transitions of [UCl 6 ] - and [UF 6 ] - are reported, demonstrating the significant fine structure resolution possible with this technique including for the low energy Γ 7 → Γ 8 transitions in [UF 6 ] - . The experimental NIR MCD studies were further extended to [U(OC 6 F 5 ) 6 ] - , [U(CH 2 SiMe 3 ) 6 ] - , and [U(NC(tBu)(Ph)) 6 ] - to evaluate the effects of ligand-type on the f–f MCD fine structure features. Theoretical calculations were conducted to determine the Laporte forbidden f–f transitions and their MCD intensity experimentally observed in the NIR spectra of the U(V) hexahalide complexes, via the inclusion of vibronic coupling, to better understand the underlying spectral fine structure features for these complexes. These spectra and simulations provide an important platform for the application of MCD spectroscopy to this widely studied class of U(V) complexes and identify areas for continued theoretical development.

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

Unlocking the potential: machine learning applications in electrocatalyst design for electrochemical hydrogen energy transformation

Machine learning (ML) is rapidly emerging as a pivotal tool in the hydrogen energy industry for the creation and optimization of electrocatalysts, which enhance key electrochemical reactions like the hydrogen evolution reaction (HER), the oxygen evolution reaction (OER), the hydrogen oxidation reaction (HOR), and the oxygen reduction reaction (ORR). This comprehensive review demonstrates how cutting-edge ML techniques are being leveraged in electrocatalyst design to overcome the time-consuming limitations of traditional approaches. ML methods, using experimental data from high-throughput experiments and computational data from simulations such as density functional theory (DFT), readily identify complex correlations between electrocatalyst performance and key material descriptors. Leveraging its unparalleled speed and accuracy, ML has facilitated the discovery of novel candidates and the improvement of known products through its pattern recognition capabilities. This review aims to provide a tailored breakdown of ML applications in a format that is readily accessible to materials scientists. Hence, we comprehensively organize ML-driven research by commonly studied material types for different electrochemical reactions to illustrate how ML adeptly navigates the complex landscape of descriptors for these scenarios. We further highlight ML's critical role in the future discovery and development of electrocatalysts for hydrogen energy transformation. Potential challenges and gaps to fill within this focused domain are also discussed. As a practical guide, we hope this work will bridge the gap between communities and encourage novel paradigms in electrocatalysis research, aiming for more effective and sustainable energy solutions.

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

BISON: A Flexible Code for Advanced Simulation of the Performance of Multiple Nuclear Fuel Forms

BISON is a nuclear fuel performance application built using the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element library. One of its major goals is to have a great amount of flexibility in how it is used, including in the types of fuel it can analyze, the geometry of the fuel being modeled, the modeling approach employed, and the dimensionality and size of the models. Fuel forms that can be modeled include standard light water reactor fuel, emerging light water reactor fuels, tri-structural isotropic fuel particles, and metallic fuels. BISON is a platform for research in nuclear fuel performance modeling while simultaneously serving as a tool for the analysis of nuclear fuel designs. Recent research in BISON includes techniques such as the extended finite element method for fuel cracking, exploration of high-burnup light water reactor fuel behavior, swelling behavior of metallic fuels, and central void formation in mixed-oxide fuel. BISON includes integrated documentation for each of its capabilities, follows rigorous software quality assurance procedures, and has a growing set of rigorous verification and validation tests.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Machine learning prediction of the mechanical properties of refractory multicomponent alloys based on a dataset of phase and first principles simulation

In this work, a dataset including structural and mechanical properties of refractory multicomponent alloys was developed by fusing computations of phase diagram (CALPHAD) and density functional theory (DFT). The refractory multicomponent alloys, also named refractory complex concentrated alloys (CCAs) which contain 2–5 types of refractory elements were constructed based on Special Quasi-random Structure (SQS). The phase of alloys was predicted using CALPHAD and the mechanical property of alloys with stable and single body-centered cubic (BCC) at high temperature (over 1,500°C) was investigated using DFT-based simulation. As a result, a dataset with 393 refractory alloys and 12 features, including volume, melting temperature, density, energy, elastic constants, mechanical moduli, and hardness, were produced. To test the capability of the dataset on supporting machine learning (ML) study to investigate the property of CCAs, CALPHAD, and DFT calculations were compared with principal components analysis (PCA) technique and rule of mixture (ROM), respectively. It is demonstrated that the CALPHAD and DFT results are more in line with experimental observations for the alloy phase, structural and mechanical properties. Furthermore, the data were utilized to train a verity of ML models to predict the performance of certain CCAs with advanced mechanical properties, highlighting the usefulness of the dataset for ML technique on CCA property prediction.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Earth resources mission performance studies. Volume 2: Simulation results

Simulations were made at three month intervals to investigate the EOS mission performance over the four seasons of the year. The basic objectives of the study were: (1) to evaluate the ability of an EOS type system to meet a representative set of specific collection requirements, and (2) to understand the capabilities and limitations of the EOS that influence the system's ability to satisfy certain collection objectives. Although the results were obtained from a consideration of a two sensor EOS system, the analysis can be applied to any remote sensing system having similar optical and operational characteristics. While the category related results are applicable only to the specified requirement configuration, the results relating to general capability and limitations of the sensors can be applied in extrapolating to other U.S. based EOS collection requirements. The TRW general purpose mission simulator and analytic techniques discussed in this report can be applied to a wide range of collection and planning problems of earth orbiting imaging systems.

Source record↗
NASA NTRS1997

W-Band On-Wafer Measurement of Uniplanar Slot-Type Antennas

Uniplanar slot-type antennas such as coplanar waveguide fed single- and dual-polarized slot-ring antennas and double folded-slot antennas are characterized using a millimeter-wave network analyzer and on-wafer measurement techniques. The antennas are designed to be mounted on a dielectric lens to minimize power loss into substrate modes and realize high-gain antenna patterns. On-wafer measurements are performed by placing the antenna wafer on a thick dielectric spacer of similar e(sub t) and eliminating the reflection from the probe station chuck with time-domain gating. The measured results agree well with method-of-moments simulations.

Raman, Sanjay↗
DOE OSTI2026

Framework Short-Range Order Observed in a Spinel-Type Li Superionic Conductor

Solid-state superionic conductors are characterized by rich structural disorders. Though structural complexities are central to their functionalities, they often give rise to short-range order that eludes detection by conventional diffraction-based techniques and is thus overlooked in establishing precise structure-property relationships. In this work, we synthesized single crystals of a recently discovered lithium (Li) superionic conductor Li16.2(1)In9.00(2)Sn1.10(1)O23.8 (LISO) for in-depth characterizations of structural subtleties. LISO exhibits an unusual spinel-like phase with significant Li overstoichiometry and a face-sharing Li network. Single-crystal neutron diffraction confirms significant Li disorder, as manifested in Li site splitting and partial occupancy. More importantly, synchrotron diffuse scattering combined with 3D-ΔPDF analysis and Monte Carlo simulations reveal short-range order in the nonalkali framework that might contribute to the phase stability and ionic conductivity. This work showcases an example in which subtle local energetics can be directly visualized in structurally disordered ionic conductors.

Chen, Yu↗
NASA NTRS1984

Laser-induced fluorescence of green plants. I - A technique for the remote detection of plant stress and species differentiation

The laser-induced fluorescence (LIF) of green plants was evaluated as a means of remotely detecting plant stress and determining plant type. Corn and soybeans were used as representatives of monocots and dicots, respectively, in these studies. The fluorescence spectra of several plant pigments was excited with a nitrogen laser emitting at 337 nm. Intact leaves from corn and soybeans also fluoresced using the nitrogen laser. The two plant species exhibited fluorescence spectra which had three maxima in common at 440, 690, and 740 nm. However, the relative intensities of these maxima were distinctly different for the two species. Soybeans had an additional slight maxima at 525 nm. Potassium deficiency in corn caused an increase in fluorescence at 690 and 740 nm. Simulated water stress in soybeans resulted in increased fluorescence at 440, 525, 690, and 740 nm. The inhibition of photosynthesis in soybeans by 3-(3-4-dichlorophenyl)-1-1-dimethyl urea (DCMU) gave incresed fluorescence primarily at 690 and 740 nm. Chlorosis as occurring in senescent soybean leaves caused a decrease in fluorescence at 690 and 740 nm. These studies indicate that LIF measurements of plants offer the potential for remotely detecting certain types of stress condition and also for differentiating plant species.

Chappelle, E. W.↗
NASA NTRS1986

A time-based concept for terminal-area traffic management

An automated air-traffic-management concept that has the potential for significantly increasing the efficiency of traffic flows in high-density terminal areas is discussed. The concept's implementation depends on the techniques for controlling the landing time of all aircraft entering the terminal area, both those that are equipped with on-board four dimensional guidance systems as well as those aircraft types that are conventionally equipped. The two major ground-based elements of the system are a scheduler which assigns conflict-free landing times and a profile descent advisor. Landing times provided by the scheduler are uplinked to equipped aircraft and translated into the appropriate four dimensional trajectory by the on-board flight-management system. The controller issues descent advisories to unequipped aircraft to help them achieve the assigned landing times. Air traffic control simulations have established that the concept provides an efficient method for controlling various mixes of four dimensional-equipped and unequipped, as well as low-and high-performance, aircraft.

Erzberger, H.↗
NASA NTRS1986

A time-based concept for terminal-area traffic management

An automated air-traffic-management concept that has the potential for significantly increasing the efficiency of traffic flows in high-density terminal areas is discussed. The concept's implementation depends on techniques for controlling the landing time of all aircraft entering the terminal area, both those that are equipped with on-board four-dimensional (4D) guidance systems as well as those aircraft types that are conventionally equipped. The two major ground-based elements of the system are a scheduler which assigns conflict-free landing times and a profile descent advisor. Landing time provided by the scheduler is uplinked to equipped aircraft and translated into the appropriate 4D trajectory by the-board flight-management system. The controller issues descent advisories to unequipped aircraft to help them achieve the assigned landing times. Air traffic control simulations have established that the concept provides an efficient method for controlling various mixes of 4D-equipped and unequipped, as well as low- and high-performance, aircraft. Piloted simulations of profiles flown with the aid of advisories have verified the ability to meet specified descent times with prescribed accuracy.

Erzberger, Heinz↗
NASA NTRS1997

Ion Sources and Acceleration Mechanisms Inferred from Local Distribution Functions

This study investigates the sources of the ions up the complex and nonisotropic H(+) velocity distribution functions observed by the Geotail spacecraft on May 23, 1995, in the near-Earth magnetotail region and recently reported by Frank et al. [1996]. A distribution function observed by Geotail at -10 R(sub E) downtail is used as input for the large scale kinetic (LSK) technique to follow the trajectories of approximately 90,000 H(+) ions backward in time. Time-dependent magnetic and electric fields are taken from a global magnetohydrodynamic (MHD) simulation of the magnetosphere and its interactions with appropriate solar wind and IMF conditions. The ion population described by the Geotail distribution function was found to consist of a mixture of particles originating from three distinct sources: the ionosphere, the low latitude boundary layer (LLBL), and the high latitude plasma mantle. Ionospheric particles had direct access along field lines to Geotail, and LLBL ions convected adiabatically to the Geotail location. Plasma mantle ions, on the other hand, exhibited two distinct types of behavior. Most near-Earth mantle ions reached Geotail on adiabatic orbits, while distant mantle ions interacted with the current sheet tailward of Geotail and had mostly nonadiabatic orbits. Ions from the ionosphere, the LLBL, and the near-Earth mantle were directly responsible for the well-separated, low energy structures easily discernible in the observed and modeled distribution functions. Distant mantle ions formed the higher energy portion of the Geotail distribution. Thus, we have been successful in extracting useful information about particle sources, their relative contribution to the measured distribution and the acceleration processes that affected particle transport during this time.

Ashour-Abdalla, M.↗
NASA NTRS2012

A Framework for Simulating Turbine-Based Combined-Cycle Inlet Mode-Transition

A simulation framework based on the Memory-Mapped-Files technique was created to operate multiple numerical processes in locked time-steps and send I/O data synchronously across to one-another to simulate system-dynamics. This simulation scheme is currently used to study the complex interactions between inlet flow-dynamics, variable-geometry actuation mechanisms, and flow-controls in the transition from the supersonic to hypersonic conditions and vice-versa. A study of Mode-Transition Control for a high-speed inlet wind-tunnel model with this MMF-based framework is presented to illustrate this scheme and demonstrate its usefulness in simulating supersonic and hypersonic inlet dynamics and controls or other types of complex systems.

Le, Dzu K.↗
NASA NTRS2016

Risks from Solar Particle Events for Long Duration Space Missions Outside Low Earth Orbit

The Integrated Medical Model (IMM) simulates the medical occurrences and mission outcomes for various mission profiles using probabilistic risk assessment techniques. As part of the work with the Integrated Medical Model (IMM), this project focuses on radiation risks from acute events during extended human missions outside low Earth orbit (LEO). Of primary importance in acute risk assessment are solar particle events (SPEs), which are low probability, high consequence events that could adversely affect mission outcomes through acute radiation damage to astronauts. SPEs can be further classified into coronal mass ejections (CMEs) and solar flares/impulsive events (Fig. 1). CMEs are an eruption of solar material and have shock enhancements that contribute to make these types of events higher in total fluence than impulsive events.

health↗