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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A consistent, Bayesian, approach to the cross section probability distribution in the unresolved resonance region

The cross sections of neutron-induced reactions can be divided into three energy ranges: the resolved resonance region (RRR), the unresolved resonance region (URR), and the fast region. In general, the cross sections in the URR show significant fluctuations that cannot be predicted and cannot be experimentally resolved, thus, it is commonly assumed that the cross section at a specific energy is given by a probability distribution function (PDF) over a range of values that can span several orders of magnitude. The current methodology used to describe such behavior is to construct the PDF by stochastically generating resonance ladders and numerically measuring the PDF. The resonance ladders are sampled using known resonance statistical properties and average resonance widths and spacings extrapolated from the RRR. Although this is a standard and widely used technique, it is computationally very expensive, therefore, an alternative, analytical, approach would be preferable due to the considerable speed up of the computational time in real life applications. Moreover, the current methodology does not take into account existing experimental data, such for total and capture cross sections, that are available for many nuclei. Finally, this approach was developed to be used in reactor-scale applications and it is not suited for use in single-event applications. In this work we will rethink the entire approach to the PDF construction using a Bayesian mindset. This will allow us to provide a different definition of the PDF that allows a much faster calculation of the higher-temperature PDFs and a proper combination of theoretical and experimental PDFs following the probability theory. We will also show that our definition is well suited for single-event applications and we will make an explicit connection between our method and the standard approach. We do this by showing that the central limit theorem applies and our method leads to the same PDF obtained with the standard methodology, for a large number of events per history.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1990

An abbreviated Reynolds stress turbulence model for airfoil flows

An abbreviated Reynolds stress turbulence model is presented for solving turbulent flow over airfoils. The model consists of two partial differential equations, one for the Reynolds shear stress and the other for the turbulent kinetic energy. The normal stresses and the dissipation rate of turbulent kinetic energy are computed from algebraic relationships having the correct asymptotic near wall behavior. This allows the model to be integrated all the way to the wall without the use of wall functions. Results for a flat plate at zero angle of attack, a NACA 0012 airfoil and a RAE 2822 airfoil are presented.

Gaffney, R. L., Jr.↗
NASA NTRS1994

Gas dynamics for accretion disk simulations

The behavior of accretion disks can largely be understood in terms of the basic physical processes of mass, energy, and momentum conservation. Despite this, detailed modeling of these systems using modern computational techniques is challenging and controversial. Disturbing differences exist between methods used widely in astrophysics, namely Eulerian finite-difference techniques and particle codes such as SPH. Therefore neither technique is fully satisfactory for accretion disk simulations. This paper describes a new fully Lagrangian method designed to resolve these difficulties.

Whitehurst, R.↗
NASA NTRS1998

Feature Extraction of Event-Related Potentials Using Wavelets: An Application to Human Performance Monitoring

This report describes the development and evaluation of mathematical models for predicting human performance from discrete wavelet transforms (DWT) of event-related potentials (ERP) elicited by task-relevant stimuli. The DWT was compared to principal components analysis (PCA) for representation of ERPs in linear regression and neural network models developed to predict a composite measure of human signal detection performance. Linear regression models based on coefficients of the decimated DWT predicted signal detection performance with half as many f ree parameters as comparable models based on PCA scores. In addition, the DWT-based models were more resistant to model degradation due to over-fitting than PCA-based models. Feed-forward neural networks were trained using the backpropagation,-, algorithm to predict signal detection performance based on raw ERPs, PCA scores, or high-power coefficients of the DWT. Neural networks based on high-power DWT coefficients trained with fewer iterations, generalized to new data better, and were more resistant to overfitting than networks based on raw ERPs. Networks based on PCA scores did not generalize to new data as well as either the DWT network or the raw ERP network. The results show that wavelet expansions represent the ERP efficiently and extract behaviorally important features for use in linear regression or neural network models of human performance. The efficiency of the DWT is discussed in terms of its decorrelation and energy compaction properties. In addition, the DWT models provided evidence that a pattern of low-frequency activity (1 to 3.5 Hz) occurring at specific times and scalp locations is a reliable correlate of human signal detection performance.

Trejo, Leonard J.↗
NASA NTRS1996

A 3-level Model for Schumann-Runge O2 Laser-Induced Fluorescence

A three level model has been developed for the analysis of Schumann-Runge band (B(sup 3)Sigma(sup -)(sub u ) <- X(sup 3)Sigma(sup -)(sub g)) laser-induced fluorescence of molecular oxygen, O2. Such a model is required due to the severe lower state depletion which can occur when transitions having relatively large absorption cross-sections are excited. Such transitions are often utilized via ArF* or KrF* excimer or dye-laser excitation in high temperature environments. The rapid predissociation of the upper state prevents substantial repopulation of the lower state by collisional processes, and the lower state may be largely depleted, even at laser fluences as low as 10-100 mJ/sq cm. The resulting LIF signal in such cases no longer varies linearly with laser pulse energy, and the extent of the sublinear behavior varies with the particular rovibrational transition of interest. Relating the measured signal to the lower state population, then, necessitates the use of exceedingly low laser fluences. These low fluences in turn lead to the need to compromise spatial resolution in order to generate sufficient signal.

Diskin, Glenn S.↗
NASA NTRS1999

Feature extraction of event-related potentials using wavelets: an application to human performance monitoring

This report describes the development and evaluation of mathematical models for predicting human performance from discrete wavelet transforms (DWT) of event-related potentials (ERP) elicited by task-relevant stimuli. The DWT was compared to principal components analysis (PCA) for representation of ERPs in linear regression and neural network models developed to predict a composite measure of human signal detection performance. Linear regression models based on coefficients of the decimated DWT predicted signal detection performance with half as many free parameters as comparable models based on PCA scores. In addition, the DWT-based models were more resistant to model degradation due to over-fitting than PCA-based models. Feed-forward neural networks were trained using the backpropagation algorithm to predict signal detection performance based on raw ERPs, PCA scores, or high-power coefficients of the DWT. Neural networks based on high-power DWT coefficients trained with fewer iterations, generalized to new data better, and were more resistant to overfitting than networks based on raw ERPs. Networks based on PCA scores did not generalize to new data as well as either the DWT network or the raw ERP network. The results show that wavelet expansions represent the ERP efficiently and extract behaviorally important features for use in linear regression or neural network models of human performance. The efficiency of the DWT is discussed in terms of its decorrelation and energy compaction properties. In addition, the DWT models provided evidence that a pattern of low-frequency activity (1 to 3.5 Hz) occurring at specific times and scalp locations is a reliable correlate of human signal detection performance. Copyright 1999 Academic Press.

Evoked Potentials↗
DOE OSTI2023

In Cell Thermal Creep Frames for Demonstration Project Preparations

The thrust of advanced nuclear reactor demonstrations demands the accelerated qualification of in-core materials to enable licensing processes and developing the performance data. Due to the high-operating temperatures of such reactors, long-term mechanical behavior under constant load is essential to determine the geometrical and mechanical integrity of in-core components during operation and off-normal conditions. Therefore, the thermal creep behavior of neutron-irradiated advanced reactor materials must be determined. The feasibility of using subsize specimens for the irradiation campaigns and the limited available infrastructure challenge the assessment of thermal creep behavior of advanced reactor materials. Therefore, the U.S. Department of Energy Office of Nuclear Energy (DOE-NE) National Reactor Innovation Center (NRIC) prioritizes the development of a thermal creep testing infrastructure for multiple subsize specimens to accelerate the demonstration and deployment of advanced reactor concepts. This report describes the activities for the construction of a thermal creep testing capability at Idaho National Laboratory (INL). The overall project consists of conceptual design, out-of-cell demonstration, and in-cell demonstration phases. During fiscal year (FY)-2021, the team finished the conceptual design of a thermal creep test facility that can test multiple subsize specimens. This conceptual design consisted of the determination of technical and functional requirements, the determination of the design space, and the preparation of the technical drawings. Technical and functional requirements were categorized as required and desired capabilities and the conceptual design was performed to meet all the required capabilities with the flexibility to achieve the desired capabilities. The design space identified the operational capacity of the creep frame for different advanced reactor relevant materials with the consideration of the feasible operation in the hotcell at the Fuels and Applied Science Building (FASB) at INL. Based on the requirements and design space, the multiple specimen creep frame was designed. The official INL engineering drawing process was started and the procurement of materials for construction was initiated. For FY-2022, the out-of-cell demonstration and final installation of the multiple creep frame is planned.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Reducing US Oil Dependence Using Simulation

People across the world are addicted to oil; as a result, the instability of oil prices and the shortage of oil reserves have influenced human behaviors and global businesses. Today, the United States makes up only 5% of the global population but consumes 25% of the. world total energy. Most of this energy is generated from fossil fuels in the form of electricity. The contribution of this paper is to examine the possibilities of replacing fossil fuel with renewable energies to generate electricity as well as to examine other methods to reduce oil and gas consumption. We propose a system dynamics model in an attempt to predict the future US dependence on fossil fuels by using renewable energy resources such as, nuclear, wind, solar, and hydro powers. Based on the findings of our model, the study expects to provide insights towards promising solutions of the oil dependency problem.

Ayoub, Fadi↗
DOE OSTI2023

Transport and Energetics of Carbon Dioxide in Ionic Liquids at Aqueous Interfaces

A major hurdle in utilizing carbon dioxide (CO 2 ) lies in separating it from industrial flue gas mixtures and finding suitable storage methods that enable its application in various industries. To address this issue, we utilized a combination of molecular dynamics simulations and experiments to investigate the behavior of CO 2 in common room-temperature ionic liquids (RTIL) when in contact with aqueous interfaces. Here, our investigation of RTILs, [EMIM][TFSI] and [OMIM][TFSI], and their interaction with a pure water layer mimics the environment of a previously developed ultrathin enzymatic liquid membrane for CO 2 separation. We analyzed diffusion constants and viscosity, which reveals that CO 2 molecules exhibit faster mobility within the selected ILs compared to what would be predicted solely based on the viscosity of the liquids using the standard Einstein–Stokes relation. Moreover, we calculated the free energy of translocation for various species across the aqueous–IL interface, including CO 2 and HCO 3 – . Free energy profiles demonstrate that CO 2 exhibits a more favorable partitioning behavior in the RTILs compared to that in pure water, while a significant barrier hinders the movement of HCO 3 – from the aqueous layer. Experimental measurement of the CO 2 transport in the RTILs corroborates the model. These findings strongly suggest that hydrophobic RTILs could serve as a promising option for selectively transporting CO 2 from aqueous media and concentrating it as a preliminary step toward storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Active Colloids as Models, Materials, and Machines

Active colloids use energy input at the particle level to propel persistent motion and direct dynamic assemblies. We consider three types of colloids animated by chemical reactions, time-varying magnetic fields, and electric currents. For each type, we review the basic propulsion mechanisms at the particle level and discuss their consequences for collective behaviors in particle ensembles. These microscopic systems provide useful experimental models of nonequilibrium many-body physics in which dissipative currents break time-reversal symmetry. Freed from the constraints of thermodynamic equilibrium, active colloids assemble to form materials that move, reconfigure, heal, and adapt. Colloidal machines based on engineered particles and their assemblies provide a basis for mobile robots with increasing levels of autonomy. This review provides a conceptual framework for understanding and applying active colloids to create material systems that mimic the functions of living matter. We highlight opportunities for chemical engineers to contribute to this growing field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Rationalizing Calcium Electrodeposition Behavior by Quantifying Ethereal Solvation Effects on Ca 2+ Coordination in Well-Dissociated Electrolytes

Ca-ion electrochemical systems have been pushed to the forefront of recent multivalent energy storage advances due to their use of earth-abundant redox materials and their high theoretical specific densities in relation to monovalent or even other more widely explored multivalent-charge carriers. However, significant pitfalls in metal plating and stripping arise from electrolyte decomposition and can be related to the coordination environment around Ca 2+ with both the negatively charged anion and the organic–aprotic solvent. Here, we apply multiple spectroscopic techniques in conjunction with density functional theory to evaluate the coordination environment of Ca 2+ across a class of ethereal solvents. Through the combination of X-ray absorption fine structure and time-dependent density functional theory, descriptive measures of the local geometry, coordination, and electronic structure of Ca–ethereal complexes provide distinct structural trends depending on the extent of the Ca 2+ –solvent interaction. Finally, we correlate these findings with electrochemical measurements of calcium tetrakis(hexafluoroisopropoxy)borate (CaBHFIP 2 ) salts dissolved within this class of solvents to provide insight into the preferred structural configuration of Ca 2+ electrolytic solutions for optimized electrochemical plating and stripping.

25 ENERGY STORAGE↗
NASA NTRS1988

The effect of a hot, spherical scattering cloud on quasi-periodic oscillation behavior

A Monte Carlo technique is used to investigate the effects of a hot electron scattering cloud surrounding a time-dependent X-ray source. Results are presented for the time-averaged emergent energy spectra and the mean residence time in the cloud as a function of energy. Moreover, after Fourier transforming the scattering Green's function, it is shown how the cloud affects both the observed power spectrum of a time-dependent source and the cross spectrum (Fourier transform of a cross correlation between energy bands). It is found that the power spectra intrinsic to the source are related to those observed by a relatively simple frequency-dependent multiplicative factor (a transmission function). The cloud can severely attenuate high frequencies in the power spectra, depending on optical depth, and, at lower frequencies, the transmission function has roughly a Lorentzian shape. It is also found that if the intrinsic energy spectrum is constant in time, the phase of the cross spectrum is determined entirely by scattering. Finally, the implications of the results for studies of the X-ray quasi-periodic oscillators are discussed.

Bussard, R. W.↗
NASA NTRS1985

A new ply model for interlaminar stress analysis

An accurate estimate of interlaminar stresses is crucial to understanding, as well as predicting, many delamination-related failures in composite materials. A new model for ply-level sublaminate analysis is presented and applied. The homogeneous plate theory developed earlier by the authors (Valisetty and Rehfield, 1983) is further refined, and the equations are reduced appropriately for the classical finite-width free-edge laminate elasticity problem and a related delamination crack growth problem. It is applied to the laminate on a ply-by-ply basis. This theory incorporates all the essential physical effects and appears to be an adequate model for predicting the behavior of individual layers in equilibrium. On the basis of the number of equations and boundary conditions required for the implementation of layer equilibrium, this theory also appears to be the simplest of its kind presented so far. The stress induced in the free-edge region of a (0,90,90,0) laminate in uniform extension and the energy release rates for the delamination between the -30 deg and 90 deg plies of a (+, -30,+, -30, 90,90)s laminate are computed using the new analysis. The results are in excellent agreement with the existing numerical solutions. The new ply behavioral model appears to be very promising; it yields stresses and displacements that are statically and kinematically compatible at interlaminar surfaces.

Rao Valisetty, R.↗
DOE OSTI2025

Real-space observation of the dissociation of a transition metal complex and its concurrent energy redistribution

Mechanistic insights into photodissociation dynamics of transition metal carbonyls, like Fe(CO) 5 , are fundamental for understanding active catalytic intermediates. Although extensively studied, the structural dynamics of these systems remain elusive. Using ultrafast X-ray scattering, we uncover the photochemistry of Fe(CO) 5 in real space and time, observing synchronous oscillations in atomic pair distances, followed by a prompt rotating CO release preferentially in the axial direction. This behavior aligns with simulations, reflecting the interplay between the axial Fe-C distances’ potential energy landscape and non-adiabatic transitions between metal-to-ligand charge-transfer states. Additionally, we characterize a secondary delayed CO release associated with a reduction of Fe-C steady state distances and structural dynamics of the formed Fe(CO) 4 . Our results quantify energy redistribution across vibration, rotation, and translation degrees of freedom, offering a microscopic view of complex structural dynamics, enhancing our grasp on Fe(CO) 5 photodissociation, and advancing our understanding of transition metal catalytic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A First Principles Approach to Spectral Phonon Transport in Heterostructures

Understanding thermal transport across interfaces which give rise to a thermal resistance (also known as Kapitza resistance) is a critical issue affecting the development of nanotechnologies. Much modern and emergent nanotechnology consist of adjacent materials, and phonon mediated heat transfer governs thermal behavior across internal interfaces in these devices. The physics of thermal transport in solids are governed both by phenomena occurring at the atomic scale and interactions with the material's microstructure. The forecasting of fundamental quantities such as temperature, heat flux and thermal conductivity typically employs the semi-classical Boltzmann transport equation to predict the macroscopic behavior of materials in terms of the microscopic dynamics of its heat carriers. Kapitza resistance was first discovered in liquid helium experiments and has led to a fundamental research thrust in micro and nano-scale heat transport, the behavior of thermal carriers across internal interfaces. Thermal interfacial resistance (TIR) is a widely studied phenomenon, first engaged by Swartz and Pohl through their development of the acoustic and diffuse mismatch methods, then continued through myriad efforts with varying methods and approaches in an attempt to resolve carrier behavior at thermal interfaces. Many of the fundamental approaches to TIR have been at the nanoscale, and research is conducted with molecular dynamics (MD) and density functional theory (DFT) methods. The limitations of these methods is system size; atomistic methods tend to be limited to system sizes of 100,000 atoms or less. Larger length-scale methods have also been pursued, based on the principles of acoustic or diffuse mismatch, but not all include simulation of TIR using a full phonon band spectrum, or temperature dependent methods. Our approach to enabling phonon transport in layered materials draws upon our previous work of demonstrating spectrally coupled phonon transport in homogeneous and heterogeneous materials. We use a semi-analytical approach in which the Bose-Einstein (B-E) statistics set the strength of the phonon radiance in a frequency group, but the B-E statistics are informed with information from the transport system. The B-E statistics in a single frequency group feels the influence of all the groups through the spatial temperature. We also include a new field term which is an indicator of the amount of non-equilibrium behavior of the phonon spectrum---this is added to the phonon source term in all groups to ensure closure and conservation of energy, as the phonon groups in the transport system and the analytical systems are coupled. This work builds upon our previous approach by adding a phonon coupling term at an internal interface, using the principles of the DMM through transmission and reflection coefficients. In this work, the coefficients are determined through computing a common temperature at the interface, influenced by the phonon band structure of both materials, in effect, providing mixing between the two material systems and using the common temperature to set the strength of the phonon radiance at the boundaries on either side of the interface. Our approach uses material properties computed along various crystallographic orientations, and while some isotropy is built into the interface condition, the material properties weight the phonon distributions in the proper crystalline direction. Greater resolution of phonon behavior in proximity to an interface, and more accurate predictions of TIR are obtained. While it is true the assumption of diffuse mismatch can yield inconsistent results compared to experiment especially at low temperatures, this work focuses on room temperature and beyond effects, for future applications in nuclear fuel, or thermoelectric devices; a modified mismatch approach may be feasible if applied properly. Additionally, our methods focus on bridging mesoscale to engineering scale

36 MATERIALS SCIENCE↗
DOE OSTI2025

Characterization of electron spin polarization from positive electron affinity GaAs photocathodes

Negative Electron Affinity (NEA) GaAs photocathodes are widely used to generate spin-polarized electron beams, typically achieving Electron Spin Polarizations (ESPs) in the range of 35%–40%. However, when operated in a Positive Electron Affinity (PEA) state, where a potential barrier inhibits low-energy electrons from escaping into vacuum, measured ESPs can exceed 50%. This effect can occur naturally during photocathode operation, as the NEA surface activation layers can degrade easily over time, increasing the electron affinity. In this work, we investigate and characterize the behavior of enhanced ESPs under PEA conditions. We present experimental measurements of ESP using a retarding-field Mott polarimeter on GaAs photocathodes with controlled and varying electron affinities. These results are complemented by theoretical explanations considering the material band structure, the light excitation profile, and spin depolarization mechanisms.

Electronic band structure↗
NASA NTRS2011

A Review of the Experimental and Modeling Development of a Water Phase Change Heat Exchanger for Future Exploration Support Vehicles

Water affords manifold benefits for human space exploration. Its properties make it useful for the storage of thermal energy as a Phase Change Material (PCM) in thermal control systems, in radiation shielding against Solar Particle Events (SPE) for the protection of crew members, and it is indisputably necessary for human life support. This paper envisions a single application for water which addresses these benefits for future exploration support vehicles and it describes recent experimental and modeling work that has been performed in order to arrive at a description of the thermal behavior of such a system. Experimental units have been developed and tested which permit the evaluation of the many parameters of design for such a system with emphasis on the latent energy content, temperature rise, mass, and interstitial material geometry. The experimental results are used to develop a robust and well correlated model which is intended to guide future design efforts toward the multi-purposed water PCM heat exchanger envisioned.

Cognata, Thomas↗
DOE OSTI2020

A Coupled Experimental and Simulation Approach to Investigate the Impact of Grain Growth, Amorphization, and Grain Subdivision in Accident Tolerant U 3 Si 2 Light Water Reactor Fuel

Triuranium disilicide (U 3 Si 2 ) is being considered as an alternative accident tolerant fuel (ATF) due to its higher thermal conductivity. However, there is uncertainty in its use due to a lack of irradiation data at light water reactor (LWR) conditions. In this project, we used an integrated experimental and simulation approach to answer two significant questions pertaining to U 3 Si 2 that were not investigated by the Fuel Cycle Research and Development (FCRD) and Nuclear Energy Advanced Modeling and Simulation (NEAMS) programs: (1) Will grain growth in the hotter portions of the fuel significantly impact U 3 Si 2 LWR fuel behavior? (2) Under what conditions do grain subdivision and amorphization occur in U 3 Si 2 and will either occur at LWR conditions? Our approach to answer these questions used in situ ion irradiation and annealing to investigate grain growth, grain subdivision, and amorphization, along with mesoscale simulations using the MARMOT tool. We found that while the grain boundary mobility of U 3 Si 2 is larger than that of UO 2 , grain growth in U 3 Si 2 fuel pellets will be less than in UO 2 and may be neglected due to the lower thermal conductivity and thus lower centerline temperature. We also found that amorphization will not occur in U 3 Si 2 above 600 K, such that it is not likely to occur at typical LWR operating conditions. Grain subdivision will occur at LWR conditions and will likely occur at lower burnups than in UO 2 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗