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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Detecting superconductivity out of equilibrium

Recent pump-probe experiments on underdoped cuprates and similar systems suggest the existence of a transient superconducting state above Tc. This poses the question of how to reliably identify the emergence of long-range order, in particular superconductivity, out of equilibrium. We investigate this point by studying a quantum quench in an extended Hubbard model and by computing various observables, which are used to identify (quasi-)long-range order in equilibrium. Our findings imply that, in contrast to current experimental studies, it does not suffice to study the time evolution of the optical conductivity to identify superconductivity. In turn, we suggest to utilize time-resolved angle-resolved photoemission spectroscopy experiments to probe for the formation of a condensate in the two-particle channel.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Medium-assisted enhancement of χ c 1 ( 3872 ) production from small to large colliding systems

Studies of exotic hadrons such as the χ c 1 ( 3872 ) state provide crucial insights into the fundamental force governing the strong interaction dynamics, with an emerging frontier to investigate their production in high energy collisions where a partonic medium is present. The latest experimental measurements from the Large Hadron Collider show an intriguing evolution pattern of the χ c 1 ( 3872 ) -to- ψ ( 2 S ) yield ratio from proton-proton collisions with increasing multiplicities toward proton-lead and lead-lead collisions. Here we propose a mechanism of medium-assisted enhancement for the χ c 1 ( 3872 ) production, which competes with the more conventional absorption-induced suppression and results in a nonmonotonic trend from small to large colliding systems. Realistic simulations from this model offer a quantitative description of all available data. Predictions are made for the centrality dependence of this observable in PbPb collisions as well as for its system-size dependence from OO and ArAr to XeXe and PbPb collisions. In both cases, a nonmonotonic behavior emerges as the imprint of the competition between enhancement and suppression and can be readily tested by future data. Published by the American Physical Society 2024

Physics↗
DOE OSTI2017

Study of spatiotemporal dynamics of a nanosecond atmospheric-pressure dielectric barrier discharge in millimeter-long air gaps

The spatiotemporal dynamics of a nanosecond atmospheric-pressure dielectric barrier discharge in 1- to 3-mm-long air gaps was studied experimentally. By using a segmented electrode, data on the time evolution of the discharge in different regions of the discharge gap were obtained. The uniformity of the discharge over the cross section is estimated by analyzing the spatial distribution of its glow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Tafel Fitter v1.5

This program a new physical insight regarding efforts to evaluate electrochemical catalysts being developed for electrochemical energy conversion and storage. In particular, we ask: The methodology described here offers a solution to the problem of how to conduct Tafel analysis, which is used in determining electrocatalyst performance, in a quantitative manner, rather than through the qualitative guesswork it currently requires. This enables the measurement of electrocatalyst Tafel slopes and their associated parameters in a way that avoids the introduction of researcher bias, a problem to which current methods of Tafel fitting are prone. This procedure should significantly improve the ability of researchers working in the field of electrochemical energy conversion to rate and compare the catalyst materials being developed, advancing the characterization toolkit available to experimental electrochemists. This work is born out of our general hypothesis that it should be possible to determine the proper regions for unambiguously fitting Tafel data by applying some set of physical constraints that link aspects of a Tafel plot to its corresponding J-V polarization curve. This algorithm applies such constraints and achieves the extraction of Tafel slopes in a wholly quantifiable and reliable fashion. Verification of this approach is achieved by pairing the theory with experiment, as the algorithm was tested using experimentally acquired data of three distinct, electrochemical reactions: platinum hydrogen evolution, iridium-catalyzed oxygen evolution, and platinum-catalyzed dioxygen reduction. For each of these cases, the algorithm predicts the same Tafel slope as those reported in long-established bodies of electrochemical literature, results suggesting the general applicability of this method for determining electrocatalyst Tafel slopes.

Agbo, Peter↗
DOE OSTI2023

Status of Mechanistic Fission Gas Model in High-Burnup Fuel

A desire to increase fuel burnup to decrease the cost of nuclear power plants has led to significant interest within the nuclear industry to develop improved understanding of high-burnup nuclear fuel microstructure and the potential for fuel fragmentation, relocation, and dispersal that contribute to burnup and safe operating limits. This milestone report describes joint research activities and program planning to develop mechanistic models for high-burnup UO 2 microstructure, including both intra- and intergranular gas bubble populations and fission gas release, specifically associated with transient release. This model development is being extensively leveraged against a rapidly growing experimental database of high-fidelity electron microscopy characterization of commercial, light water reactor fuel in the as-irradiated condition as well as that following simulated loss-of-coolant test conditions. This report describes the status of model development, highlights recent microstructural data, and summarizes the data needs to complete initial development and experimental validation of mechanistic models of fission gas and microstructural evolution at high burnup, as well as transient fission gas release.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Descriptors for Cu facets for CO2 reduction reaction activity

Computation screening is crucial for designing efficient electrochemical catalysts for carbon dioxide (CO2R) reduction to valuable hydrocarbons and oxygenates. Herein, leveraging density functional theory calculations of the CO adsorption energy ΔE_CO on seventeen Cu terminations, we discover a strong linear correlation between ΔE_CO and the recently experimentally measured CO2R electrochemical currents (ACS Catal. 2022, 12, 11, 6578–6588). Examining the ab initio thermodynamics of the early critical intermediates CO*, COH*, and CHO*, we find that CO* → CHO* is the thermodynamically preferred step, and notably shows a volcano trend with the experimental currents where the maximum CO2R current corresponds to the moderate CHO* formation energy. Importantly, we show that increasing the step and kink density of the Cu termination not only enhances CO adsorption strength but also modulates the CO* → CHO* pathway, as respectively exemplified in the (941) and (741) facets. We also explain why (741) is exceptional with high CO2R activity as measured experimentally due to its relatively low activity toward the hydrogen evolution reaction compared with the other Cu surfaces. Beyond the general CO adsorption energy that only shows a linear trend with CO2R activity, we show that the reaction CO* → CHO* free energy is a descriptor that displays a volcano relationship with the overall CO2R activity on Cu facets.

machine learning↗
NASA NTRS1977

KREEP petrogenesis revisited

An experimentally determined crystallization sequence for a composition similar to the LKFM breccias and experimentally determined crystal/liquid distribution coefficients are used to calculate the evolution of the abundances of several key elements during the crystallization of LKFM liquids. Results indicate that the LKFM breccias are not themselves precursors to Apollo 15 igneous KREEP, but that compositions slightly poorer in Ti and Fe might be. Consideration of the evolution of Ti and Sm abundances during the differentiation of proposed whole-moon compositions suggests that it may be necessary to appeal to 'unorthodox' mechanisms such as magma hybridization or interaction of magma with genetically unrelated minerals within the lunar crust to produce KREEP-rich liquids having the observed Ti/Sm. It is concluded that the compositions of samples with Sm contents greater than those in LKFM are dominated by igneous processes, while samples with lower Sm contents may be mixtures of an anorthositic component, a Mg-rich Sm-poor component, and a component similar in composition to LKFM.

Mckay, G. A.↗
NASA NTRS1985

Effect of heliotropism on the bidirectional reflectance of irrigated cotton

The dynamic behavior of cotton leaves is described using gyroscopic coordinates. Angular movements represented as pitching, rolling, and yawing are used to follow the movement of leaf normals and their instantaneous relationships to the sun on an individual basis. A sensitivity analysis establishes that the angle between a leaf normal and the sun is most affected by changes in pitch and roll. Plots of the phase angle gamma averaged by quadrant show the pronounced heliotropic behavior of cotton leaves. Plots of pitch versus roll averaged by quadrant demonstrate the differential behavior of cotton leaves relative to the position of the sun. These results are used to interpret sections taken from bidirectional reflectance curves obtained using 0.57-0.69 micron band in terms of the evolution of gamma from sunrise until noon. The measured and experimental values of gamma are in reasonable agreement. Forescattered and backscattered exitances are observed to have distinct leaf normal directions.

Schutt, J. B.↗
NASA NTRS1985

The combined effects of stress and moisture on the structural integrity of composites

A variational approach is used to model the moisture content and distribution profiles which cause swelling in polymers and composites which are used as aircraft structural components. The moisture intrusion stems from humidity, which makes the problem one of diffusion of mass from the environment into a semiinfinite plate with a given diffusion coefficient and thickness. Lagrangian, ordinary differential equations are defined for the mass diffusion, including driving force, mass potential and volume dissipation expressions. Account is taken of the effects of stress on diffusivity, including the dilatational stress caused by inhomogeneous swelling of the material. It is noted that material near the top and bottom of a part undergoes the most swelling, and the evolution of moisture diffusion in the materials is traced. Finally, experimental data are used to define differential equations for predicting the final moisture distribution within the material.

Hiel, C.↗
NASA NTRS1990

Computation of solid/liquid phase change including free convection - Comparison with data

A computational model is presented for solid/liquid phase-change energy transport including free convection fluid flow in the liquid phase. The computational model considers the velocity components of all nonliquid control volumes to be zero but fully solves the coupled mass-momentum problem within the liquid. The thermal energy model includes the entire domain and employs an enthalpy-like model and a recently developed method for handling the phase-change interface nonlinearity. Convergence studies are performed and comparisons made with experimental data for two different problems. Grid independence is achieved, and the comparison with experimental data indicates excellent quantitative prediction of the melt fraction evolution. Qualitative data are also provided as velocity vector and isotherm plots. The computational costs incurred are quite low by comparison with other models.

Schneider, G. E.↗
NASA NTRS1991

Numerical solutions of 2-D multi-stage rotor/stator unsteady flow interactions

The Rai method of single-stage rotor/stator flow interaction is extended to handle multistage configurations. In this study, a two-dimensional Navier-Stokes multi-zone approach was used to investigate unsteady flow interactions within two multistage axial turbines. The governing equations are solved by an iterative, factored, implicit finite-difference, upwind algorithm. Numerical accuracy is checked by investigating the effect of time step size, the effect of subiteration in the Newton-Raphson technique, and the effect of full viscous versus thin-layer approximation. Computer results compared well with experimental data. Unsteady flow interactions, wake cutting, and the associated evolution of vortical entities are discussed.

Yang, R.-J.↗
NASA NTRS1991

Temporal study of wake formation behind a conducting body

The temporal evolution of the wake of a conducting body is studied experimentally in a pulsed plasma device. Three-dimensional measurements of the plasma potential, density, particle energy distribution, and ion currents are measured throughout the near- and mid-wake regions during the wake formation. It is found that the potential behind the conducting body is initially negative. This negative potential is caused by the higher mobility of the electrons, allowing them to flow into the ion free wake region. The negative potential in the wake region induces an electric field that pulls ions into the region behind the conducting body. However, the dominant factor in determining the length of the near wake is the thermal energy spread of the ions. At later times, as the sheath forms around the conducting body, ions are deflected by the potential gradient in the sheath region. This deflection, in addition to the thermal energy spread of the ions, determines the length of the near wake.

Meassick, S.↗
NASA NTRS1990

Numerical Formulation for the Prediction of Solid/Liquid Change of a Binary Alloy

A computational model is presented for the prediction of solid/liquid phase change energy transport including the influence of free convection fluid flow in the liquid phase region. The computational model considers the velocity components of all non-liquid phase change material control volumes to be zero but fully solves the coupled mass-momentum problem within the liquid region. The thermal energy model includes the entire domain and uses an enthalpy like model and a recently developed method for handling the phase change interface nonlinearity. Convergence studies are performed and comparisons made with experimental data for two different problem specifications. The convergence studies indicate that grid independence was achieved and the comparison with experimental data indicates excellent quantitative prediction of the melt fraction evolution. Qualitative data is also provided in the form of velocity vector diagrams and isotherm plots for selected times in the evolution of both problems. The computational costs incurred are quite low by comparison with previous efforts on solving these problems.

Schneider, G. E.↗
NASA NTRS1992

Polycyclic aromatic hydrocarbons - Primitive pigment systems in the prebiotic environment

The chemical evolution of meteoritic organics in the primitive earth is examined experimentally with attention given to the photochemical effects of hydrocarbon/water mixtures. Also addressed are the generation of amphiphilic products by photochemical reactions and the transduction of light energy into potentially useful forms. Polycyclic aromatic hydrocarbons (PAHs) absorb light and exist in carbonaceous chondrites; PAHs are therefore examined as primitive pigments by means of salt solutions with pyrene, fluoranthene, and pyrene derivatives with hexadecane. The hexadecane undergoes photochemical oxidation and yields long-chain amphiphiles with oxygen supplied by water, and acid pH shifts also occur. PAHs are also tested in lipid bilayer membranes to examine light-energy transduction. Protons are found to accumulate within the membrane-bounded volume to form proton gradients, and this reaction is theorized to be a good model of primitive photochemical reactions that related to the transduction of light energy into useable forms.

Deamer, D. W.↗
NASA NTRS1993

On the generation of sound by turbulent convection. I - A numerical experiment

Motivated by the problem of the origin of the solar p-modes, we study the generation of acoustic waves by turbulent convection. Our approach uses the results of high-resolution 3D simulations as the experimental basis for our investigation. The numerical experiment describes the evolution of a horizontally periodic layer of vigorously convecting fluid. The sound is measured by a procedure, based on a suitable linearization of the equations of compressible convection that allows the amplitude of the acoustic field to be determined. Through this procedure we identify unambiguously some 400 acoustic modes. The total energy of the acoustic field is found to be a fraction of a percent of the kinetic energy of the convection. The amplitudes of the observed modes depend weakly on (horizontal) wavenumber but strongly on frequency. The line widths of the observed modes typically exceed the natural linewidths of the modes as inferred from linear theory. This broadening appears to be related to the (stochastic) interaction between the modes and the underlying turbulence which causes abrupt, episodic events during which the phase coherence of the modes is lost.

Bogdan, Thomas J.↗
NASA NTRS1994

Effects of Heat Release on a Two-Dimensional Reacting Shear Layer

The diffusion controlled binary reaction between initially segregated reactants in a two-dimensional low Mach number mixing layers is studied via numerical simulation. The stoichiometric ratio of the reactants is chosen to be much larger than one, as is typical of hydrocarbon flames in air. This results is a flame that is offset from the main vortical region of the mixing layer. In agreement with experimental observations, the flame remains surprisingly uncontorted during the flow evolution and is not entrained into the mixing layer. The effect of the heat release of the flame on the evolution of the mixing layer is thus similar to the effect of a difference in free-stream density between the two sides of the layer. The resulting baroclinic torque inhibits the familiar rolup and pairing of mixing layer vortices common in constant density flows. This also contributes to the layers inability to entrain the flame. The increase in viscosity caused by the heating of the flame reduces the effective Reynolds number of the flow. But, contrary to what has commonly been suggested, this is not the major reason for the inhibition of the usual large-scale mixing layer structures.

Moser, Robert↗
NASA NTRS2015

Incorporation of Plasticity and Damage Into an Orthotropic Three-Dimensional Model with Tabulated Input Suitable for Use in Composite Impact Problems

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within commercial transient dynamic finite element codes, several features have been identified as being lacking in the currently available material models that could substantially enhance the predictive capability of the impact simulations. A specific desired feature pertains to the incorporation of both plasticity and damage within the material model. Another desired feature relates to using experimentally based tabulated stress-strain input to define the evolution of plasticity and damage as opposed to specifying discrete input properties (such as modulus and strength) and employing analytical functions to track the response of the material. To begin to address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed for implementation within the commercial code LS-DYNA. The plasticity model is based on extending the Tsai-Wu composite failure model into a strain-hardening based orthotropic plasticity model with a non-associative flow rule. The evolution of the yield surface is determined based on tabulated stress-strain curves in the various normal and shear directions and is tracked using the effective plastic strain. The effective plastic strain is computed by using the non-associative flow rule in combination with appropriate numerical methods. To compute the evolution of damage, a strain equivalent semi-coupled formulation is used, in which a load in one direction results in a stiffness reduction in multiple coordinate directions. A specific laminated composite is examined to demonstrate the process of characterizing and analyzing the response of a composite using the developed model.

Impact↗