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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Simulation of gaseous diffusion in partially saturated porous media under variable gravity with lattice Boltzmann methods

Liquid distributions in unsaturated porous media under different gravitational accelerations and corresponding macroscopic gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. We used a single-component, multiphase lattice Boltzmann code to simulate liquid configurations in two-dimensional porous media at varying water contents for different gravity conditions and measured gas diffusion through the media using a multicomponent lattice Boltzmann code. The relative diffusion coefficients (D rel) for simulations with and without gravity as functions of air-filled porosity were in good agreement with measured data and established models. We found significant differences in liquid configuration in porous media, leading to reductions in D rel of up to 25% under zero gravity. The study highlights potential applications of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs under variable gravity.

NASA Center JSC↗
NASA NTRS2018

Segregation-Assisted Plasticity in Ni-Based Superalloys

Correlative high resolution transmission electron microscopy and energy dispersive X-ray spectroscopy are used to study deformation-induced planar faults in the single crystal superalloy MD2 crept at 800°C and 650 MPa. Segregation of Cr and Co at microtwins, APBs, CISFs/SISFs and CESFs/SESFs is confirmed and quantified. The extent of this is found to depend upon the fault type, being most pronounced for the APB. The CESF/SESF is studied in detail due to its role as a precursor of the microtwins causing the majority of plasticity under these conditions. Quantitative modelling is carried out to rationalize the findings; the experimental results are consistent with a greater predicted velocity for the lengthening of the CESF/SESF { compared with the other types of fault { and hence confirm its role in the diffusion-assisted plasticity needed for the microtwinning mechanism to be operative.

Barba, D.↗
DOE OSTI2018

Formation of superlattice structure in irradiated materials: a phase field study

The formation and self-organization of fission gas bubbles under irradiation is a unique phenomenon, which affects the swelling behavior and mechanical stability of nuclear materials. We develop a phase field model to investigate the formation mechanism of fission gas bubbles, and associated material properties under different irradiation condition. The thermodynamic and kinetic origin of superlattice formation is systematically analyzed. In particular, the symmetry of the superlattice is dictated by the anisotropic diffusion of interstitial atoms, while the lattice parameter is determined by the instability of vacancy and gas concentration waves. The spatial distribution of gas bubbles strongly depends on the nucleation, growth and coarsening process, which leads to the formation of self-organized superlattice. This study provides a new insight into designing target experiments to tailor desired microstructure under irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Sodium Pumping via Condensation within a Non-Wetting Porous Structure

The sodium thermal electrochemical converter (Na-TEC) is a heat engine that generates electricity via the isothermal expansion of sodium ions through a beta”-alumina solid-electrolyte. The transfer of liquid sodium from a low-pressure condenser to a high-pressure evaporator is necessary to complete the thermodynamic cycle for this conversion process. A unique sodium capillary pump for the Na-TEC is proposed, whereby low-pressure sodium vapor is condensed within a non-wetting (i.e. contact angle > 90o) stainless steel porous structure. Due to the curvature of the non-wetting liquid-vapor interface, the liquid adjacent to the interface is at a higher pressure than the vapor. This is in contrast to traditional wicks, where the liquid adjacent to the interface has a lower pressure. Thus, the curvature created at this non-wetting condensation interface supplies a directed force upon the liquid sodium that effectively “pushes” it towards a high pressure region, whereas a traditional capillary wick “pulls” the liquid. Porous structures made of stainless steel 316 are commercially available, and this material is non-wetting to sodium at the relevant temperature range of the Na-TEC condenser (500K – 673K). An experimental set-up is used to measure several interfacial and transport properties of the condensed sodium within this porous structure. These properties include the temperature dependent Laplace pressure generated at the phase change interface and the permeability of the porous structure. Liquid sodium is in contact with the porous structure and is progressively pressurized with argon gas until the sodium “breaks through” and the liquid begins to flow. This break-through pressure is determined when electrical contact is established between the flowing liquid metal and a set of electrodes cemented along the flow path. The velocity of the flowing sodium can also be measured with these electrodes, and the permeability is then determined by fitting velocity data to the classical Darcy law. These interfacial properties are then applied to a conjugate heat transfer model, which treats the coupled momentum and thermal transport processes within the non-wetting porous structure as sodium vapor is condensed. Due to the low mass flowrates in the Na-TEC (< 0.1 mg/s), higher order friction terms are neglected and the classical Darcy’s law is used for non-isothermal, compressible sodium vapor flow. At lower temperatures, the sodium vapor density becomes sufficiently small and there is a transition from classic Poiseuille flow (Kn < 0.1) to Knudsen flow (Kn > 10). Furthermore, transport due to binary diffusion is considered for situations where there is a substantial presence of non-condensable argon inside the sodium vapor plenum. Initial modeling results showing expected mass flowrates, temperature profiles, and liquid-vapor interface locations are presented for various physical conditions. Finally, the main design features of an experimental set-up used to demonstrate this capillary pumping is described in detail, including the method used to measure the low sodium mass flowrates. Initial experimental results demonstrating sodium pumping for a range of temperatures (800K – 1100K) will be presented and compared against the model predictions. A pump curve used to gauge the performance of this pumping mechanism is also created.

14 SOLAR ENERGY↗
DOE OSTI2023

Integrated simulation of U-10Mo monolithic fuel swelling behavior

Here, a separate computational branch has been implemented within the DART (Dispersion Analysis Research Tool) computational code to simulate the swelling behavior of U-10Mo monolithic fuel under the operating conditions of high-power research and test reactors (RTRs). The monolithic branch of the DART code implements a mechanistic rate-theory-based fission-gas-behavior model for the calculation of fission gas swelling, as well as a suite of thermal, physical, and mechanical models to take into account various processes occurring in RTR fuels during irradiation. In order to accurately simulate and eventually predict U-10Mo monolithic fuel irradiation behavior, the code uses materials properties calculated with lower length-scale computational methods, such as gas atom diffusivity and U-Mo surface energy from atomic simulations and grain-morphology-specific recrystallization kinetics (recrystallized fuel volume fractions vs. fission density) predicted using the phase-field method. The remainder of fission gas behavior parameters used in the model were calibrated with measured intergranular bubble size distributions. With this integrated simulation approach, the swelling behavior of U-10Mo monolithic fuel was simulated for various initial grain sizes at different operating conditions and compared with measured data. Furthermore, because limited experimental data exist for parameter calibration detailed sensitivity studies for the important parameters used in the fission gas behavior model were performed in order to examine their impact on both intergranular gas bubble morphology at low fission density, and on total porosity at high fission density.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

The Influence of Shallow Cloud Populations on Transitions to Deep Convection in the Amazon

Abstract In this study, a pair of convection-permitting (2-km grid spacing), month-long, wet-season Weather Research and Forecasting (WRF) Model simulations with and without the eddy-diffusivity mass-flux (EDMF) scheme are performed for a portion of the Green Ocean Amazon (GoAmazon) 2014/15 field campaign period. EDMF produces an ensemble of subgrid-scale convective plumes that evolve in response to the boundary layer meteorological conditions and can develop into shallow clouds. The objective of this study is to determine how different treatments of shallow cumulus clouds (i.e., with and without EDMF) impact the total cloud population and precipitation across the Amazonian rain forest, with emphasis on impacts on the likelihood of shallow-to-deep convection transitions. Results indicate that the large-scale synoptic conditions in the EDMF and control simulations are nearly identical; however, on the local scale their rainfall patterns diverge drastically and the biases decrease in EDMF. The EDMF scheme significantly increases the frequency of shallow clouds, but the frequencies of deep clouds are similar between the simulations. Deep convective clouds are tracked using a cloud-tracking algorithm to examine the impact of shallow cumulus on the surrounding ambient environment where deep convective clouds initiate. Results suggest that a rapid increase of low-level cloudiness acts to cool and moisten the low to midtroposphere during the day, favoring the transition to deep convection.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Experimental and Computational Study of Trapped Vortex Combustor Sector Rig With Tri-Pass Diffuser

The Trapped Vortex Combustor (TVC) potentially offers numerous operational advantages over current production gas turbine engine combustors. These include lower weight, lower pollutant emissions, effective flame stabilization, high combustion efficiency, excellent high altitude relight capability, and operation in the lean burn or RQL modes of combustion. The present work describes the operational principles of the TVC, and extends diffuser velocities toward choked flow and provides system performance data. Performance data include EINOx results for various fuel-air ratios and combustor residence times, combustion efficiency as a function of combustor residence time, and combustor lean blow-out (LBO) performance. Computational fluid dynamics (CFD) simulations using liquid spray droplet evaporation and combustion modeling are performed and related to flow structures observed in photographs of the combustor. The CFD results are used to understand the aerodynamics and combustion features under different fueling conditions. Performance data acquired to date are favorable compared to conventional gas turbine combustors. Further testing over a wider range of fuel-air ratios, fuel flow splits, and pressure ratios is in progress to explore the TVC performance. In addition, alternate configurations for the upstream pressure feed, including bi-pass diffusion schemes, as well as variations on the fuel injection patterns, are currently in test and evaluation phases.

Hendricks, R. C.↗
DOE OSTI2019

Application of the Mixed-Mode Model for Numerical Simulation of Pearlitic Transformation

The multiscale model of pearlitic transformation, including the finite element solution of the second Fick’s equation with moving boundary in the microscale and Fourier equation in the macroscale, is presented in this paper. According to the mixed-mode approach, both the volume diffusion and the interface mobility were considered. Model describes sidewise and frontal growth of cementite and ferrite plates in a single grain of the austenite. Assessment of the possibility of the developed model application to determine the key parameters in terms of strength properties of pearlitic steel, i.e., pearlite grain size and colony size as well as interlamellar spacing for various cooling conditions, was the main aim of this work. The model was validated and verified on the basis of experimental tests performed for two eutectoid steels. In practice, developed model can support design process for a technology of high-strength rods and long products manufacturing. Rails were selected as a case study in this work, and therefore, numerical simulations of accelerated cooling of the rail head were performed and the relationship between the parameters of heat treatment, parameters of the structure and properties of the finished product was determined on the basis of obtained results.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Radioactive Waste Water Treatment for Fukushima Daiichi Nuclear Power Plant - 16081

The Great East Japan Earthquake of 11 March 2011 caused serious damage to the Fukushima Daiichi Nuclear Power Station (NPS) of the Tokyo Electric Power Company, Inc.. Toshiba and Shaw/AVANTech installed a Simplified Active Water Retrieve and Recovery System (SARRY{sup TM}) to remove radioactive cesium (Cs) from the contaminated water. Toshiba, in partnership with EnergySolutions, also developed and installed the Multi Radionuclide Removal System (MRRSTM), which can remove radioactive nuclides being treated, except tritium, to a level less than the concentration limit in water. As contaminated water treatment has progressed, the composition of the contaminated water has changed. Both salinity and radioactive Cs concentration in the contaminated water have been decreasing. Thus, a new adsorbent that is suitable for the present water chemistry conditions is required. In order to provide an appropriate contaminated-water treatment system, Toshiba has been examining the removal of not only radioactive Cs but also radioactive strontium (Sr) by SARRY{sup TM}. SARRY{sup TM} has been operated for removing Cs by using a Cs adsorbent. Instead of a Cs adsorbent, a new media that has high selectivity for both Cs and Sr should be installed. This paper describes the results obtained when using the newly developed adsorbent for removing Cs and Sr at once. As the Cs and Sr adsorbent, we have selected crystalline silico-titanate (CST). The distribution coefficient (K{sub d}) of CST was determined by the batch method. The lifetime of the adsorbent was evaluated by a column examination. The selected CST had a K{sub d} value of over 10{sup 4} ml/g for both Cs and Sr. The highest-selectivity CST had a lifetime (defined as the period for the outlet concentration to decrease to one tenth of the inlet level) of more than 125000 BV (bed volume) for Cs and more than 18000 BV for Sr, when the test was conducted at 10 BV/h. Calculation code was also developed for estimating the relation between the BV and the decontamination factor (DF) using an adsorption rate model for diffusion and adsorption. The calculation results of the Cs and Sr adsorption behavior agreed well with the experimental results. To evaluate the replacement cycle of adsorption tower in actual equipment, the radiation exposure during the replacement operation and the required Cs and Sr removal performance were used as limiting conditions for the estimation. The results of the evaluation showed that the selected CST has sufficient performance for practical usage. Based on this finding, Toshiba proposed loading the CST in SARRY{sup TM}, and SARRY{sup TM} loaded with this CST started removing Cs and Sr in December 2014 resulting in decreased contaminated water. It has been continuously working since then. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Micro-Continuum Modeling of Nuclear Waste Glass Corrosion

The purpose of this contribution is to report on preliminary nano-continuum scale modeling of nuclear waste glass corrosion. The focus of the modeling is an experiment involving a French glass SON68 specimen leached for 25 years in a granitic environment (Guittonneau et al., 2011; Gin et al., 2011; Gin et al., 2013). The 25 year experiment carried out by French scientists offers a unique opportunity to examine the controls on the rate of nuclear glass corrosion under controlled experimental conditions using a borosilicate glass of the kind widely considered for nuclear waste storage. The long term experiment makes it possible to move beyond the initial rate stage, with direct measurements of the longer term, residual rates of corrosion. Important in this regard is whether the rate of corrosion shows a parabolic dependence on time, as would be expected from a conventional diffusion model in which the reaction products (amorphous silica-rich gel) create a diffusion barrier that grows in width over time, or whether the time dependence is linear (Guittonneau et al., 2011). A linear dependence on time would call into question the model of a Passive Reactive Interface (PRI) presented by Cailleteau et al. (2008), although it does not entirely preclude such a model if the interface maintains a constant width over time (forming at the leading edge next to the pristine glass and dissolving at the trailing edge). The leachate concentration measurements collected every 56 days over 25 years by Guittonneau et al. (2011) provide data to constrain the long term corrosion rate and its time dependence.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Crack formation in strained β-(AlxGa 1−x ) 2 O 3 films grown on (010) β-Ga 2 O 3 substrates

The cracking and local strain relaxation in (010) (Al x Ga 1−x ) 2 O 3 films grown on Ga 2 O 3 substrates are assessed in terms of film composition and thickness. We utilize x-ray diffraction and electron microscopy techniques combined with simulation and modeling to investigate that film cracking on curvature (flatness) has a directly proportional relationship with film thickness and/or aluminum content. Cross section transmission electron microscopy reveals that cracks along both the (001) and (100) cleavage planes penetrate into the substrate. The diffuse scattered intensity observed in reciprocal space maps (RSMs) is directly correlated with the tilt that is introduced due to the change in the deformation conditions near the cracks. While asymmetric RSMs show that the layers are fully strained, the diffuse scattering distribution in reciprocal space can be interpreted to show that the cracking relaxes and locally tilts the lattice ∼350 nm from the crack edges, which is consistent with the larger radius of curvature associated with the films with higher crack densities. For example, a 200 nm (Al 0.13 Ga 0.87 ) 2 O 3 thick film has an average inter-crack spacing of 3.3 µm, so most of the epitaxial layer is fully strained except near the cracks where it deforms elastically and is consistent with the gallium oxide Poisson ratio. A reciprocal space model was developed, which imports the strain and tilt distributions (based on finite element modeling) to match the features observed in the experimental maps. We also note that previous studies involving (Al x Ga 1−x ) 2 O 3 films may show evidence of cracking as observed in their symmetric and asymmetric RSMs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Air separation via two-step solar thermochemical cycles based on SrFeO 3-δ and (Ba,La) 0.15 Sr 0.85 FeO 3-δ perovskite reduction/oxidation reactions to produce N 2 : rate limiting mechanism(s) determination

Two-step solar thermochemical cycles based on reversible reactions of SrFeO 3–δ and (Ba,La) 0.15 Sr 0.85 FeO 3–δ perovskites were considered for air separation. The cycle steps encompass (1) the thermal reduction of SrFeO 3–δ or (Ba,La) 0.15 Sr 0.85 FeO 3–δ perovskites driven by concentrated solar irradiation and (2) oxidation in air to remove O 2 and produce N 2 . Rate limiting mechanisms were examined for both reactions using a combination of isothermal and non-isothermal thermogravimetry for temperature-swings between 673 and 1373 K, heating rates of 10, 20, and 50 K min –1 , and O 2 pressure-swings between 20% O 2 /Ar and 100% Ar at atmospheric pressure. Evolved O 2 and associated lag due to transport behavior were measured with gas chromatography and used with measured sample temperatures to predict equilibrium compositions from a compound energy formalism thermodynamic model. Measured and predicted chemical equilibrium changes in deviation from stoichiometry were compared. Rapid chemical kinetics were observed as the samples equilibrated rapidly for all conditions, indicative that heat and mass transfer were the rate limiting mechanisms. Furthermore, the effects of bulk diffusion (or gas diffusion through the bed or pellet) were examined using pelletized and loose powdered samples and determined to have no discernable impact.

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

Data-Driven RANS Turbulence Closures for Forced Convection Flow in Reactor Downcomer Geometry

Recent progress in data-driven turbulence modeling has shown its potential to enhance or replace traditional equation-based Reynolds-averaged Navier-Stokes (RANS) turbulence models. Here, this work utilizes invariant neural network (NN) architectures to model Reynolds stresses and turbulent heat fluxes in forced convection flows (when the models can be decoupled). As the considered flow is statistically one dimensional, the invariant NN architecture for the Reynolds stress model reduces to the linear eddy viscosity model. To develop the data-driven models, direct numerical and RANS simulations in vertical planar channel geometry mimicking a part of the reactor downcomer are performed. Different conditions and fluids relevant to advanced reactors (sodium, lead, unitary-Prandtl-number fluid, and molten salt) constitute the training database. The models enabled accurate predictions of velocity and temperature, and compared to the baseline k–τ turbulence model with the simple gradient diffusion hypothesis, do not require tuning of the turbulent Prandtl number. The data-driven framework is implemented in the open-source graphics processing unit–accelerated spectral element solver nekRS and has shown the potential for future developments and consideration of more complex mixed convection flows.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Electromagnetic Extended Finite Elements for High-Fidelity Multimaterial Problems LDRD Final Report

Surface effects are critical to the accurate simulation of electromagnetics (EM) as current tends to concentrate near material surfaces. Sandia EM applications, which include exploding bridge wires for detonator design, electromagnetic launch of flyer plates for material testing and gun design, lightning blast-through for weapon safety, electromagnetic armor, and magnetic flux compression generators, all require accurate resolution of surface effects. These applications operate in a large deformation regime, where body-fitted meshes are impractical and multimaterial elements are the only feasible option. State-of-the-art methods use various mixture models to approximate the multi-physics of these elements. The empirical nature of these models can significantly compromise the accuracy of the simulation in this very important surface region. We propose to substantially improve the predictive capability of electromagnetic simulations by removing the need for empirical mixture models at material surfaces. We do this by developing an eXtended Finite Element Method (XFEM) and an associated Conformal Decomposition Finite Element Method (CDFEM) which satisfy the physically required compatibility conditions at material interfaces. We demonstrate the effectiveness of these methods for diffusion and diffusion-like problems on node, edge and face elements in 2D and 3D. We also present preliminary work on h -hierarchical elements and remap algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Reaction Diffusion Modelling of 3D Pillar Electrodes in Single-Catalyst CO 2 Reduction Cascades

Effective electrochemical CO 2 reduction to liquid fuels requires that the local catalytic environment facilitates the desired reactivity, yet a microscopic understanding of this environment is difficult to achieve from experiment alone. In this work, a 3D reaction-diffusion model was developed to explore the effects of electrode surface area and local geometry on the performance of a heterogeneous catalyst that performs a two-step CO 2 reduction cascade reaction to CO and then CH 3 OH under aqueous conditions. Kinetic parameters for the model were inspired by experimental results using a cobalt phthalocyanine (CoPc) catalyst. Three-dimensional architectures composed of arrays of square pillars with varying dimensions and either smooth or periodically modulated surfaces were tested, revealing the extent to which geometry modulates the performance of the cascade reactions. Although structural variations modulate local concentration gradients, we find that electrochemically active surface area predominantly governs the overall cascade reaction. Moreover, the results suggest that supersaturation of CO, with concentrations up to ten-fold higher than the equilibrium solubility limit, might be critical for more efficient conversion to CH 3 OH. For any given geometry, the spatially averaged ratio of [CO] to [CO 2 ] is dictated by the electrochemically active surface area and determines the yield of CH 3 OH. For a fixed surface area, geometries that spatially confine the electrolyte yield moderate local [CO] to [CO 2 ] ratios within small volumes. In contrast, less confining geometries result in a broader distribution of local ratios spread over larger volumes, with both configurations yielding the same spatially averaged [CO] to [CO 2 ] ratio. These insights provide valuable design principles—highlighting the critical importance of surface area and possibly CO supersaturation—for engineering advanced electrode architectures that leverage intermediate trapping and CO supersaturation to enhance overall performance in tandem CO 2 reduction systems.

COMSOL↗
DOE OSTI2017

Uncertainty in counting ice nucleating particles with continuous flow diffusion chambers

Abstract. This study investigates the measurement of ice nucleating particle (INP) concentrations and sizing of crystals using continuous flow diffusion chambers (CFDCs). CFDCs have been deployed for decades to measure the formation of INPs under controlled humidity and temperature conditions in laboratory studies and by ambient aerosol populations. These measurements have, in turn, been used to construct parameterizations for use in models by relating the formation of ice crystals to state variables such as temperature and humidity as well as aerosol particle properties such as composition and number. We show here that assumptions of ideal instrument behavior are not supported by measurements made with a commercially available CFDC, the SPectrometer for Ice Nucleation (SPIN), and the instrument on which it is based, the Zurich Ice Nucleation Chamber (ZINC). Non-ideal instrument behavior, which is likely inherent to varying degrees in all CFDCs, is caused by exposure of particles to different humidities and/or temperatures than predicated from instrument theory of operation. This can result in a systematic, and variable, underestimation of reported INP concentrations. We find here variable correction factors from 1.5 to 9.5, consistent with previous literature values. We use a machine learning approach to show that non-ideality is most likely due to small-scale flow features where the aerosols are combined with sheath flows. Machine learning is also used to minimize the uncertainty in measured INP concentrations. We suggest that detailed measurement, on an instrument-by-instrument basis, be performed to characterize this uncertainty.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1990

Reflecting boundary conditions for graded p-n junctions

In a graded junction, the formalism for handling reflecting boundary conditions must be modified. Since a significant drift term is present, zero recombination velocity at the surface does not imply a zero excess carrier gradient but rather zero overall flux. A model for analyzing p-n junctions fabricated by implantation or diffusion is presented, assuming the dominant recombination mechanism in the graded region is Auger. The model enables optimization of diode design. By proper selection of parameters, mainly by reducing surface concentration or by increasing the steepness of the dopant profile, it is possible to drastically reduce the saturation current generated by the graded region.

Schacham, S. E.↗
NASA NTRS1992

Diffusion Of Mass In Evaporating Multicomponent Drops

Report summarizes study of diffusion of mass and related phenomena occurring in evaporation of dense and dilute clusters of drops of multicomponent liquids intended to represent fuels as oil, kerosene, and gasoline. Cluster represented by simplified mathematical model, including global conservation equations for entire cluster and conditions on boundary between cluster and ambient gas. Differential equations of model integrated numerically. One of series of reports by same authors discussing evaporation and combustion of sprayed liquid fuels.

Bellan, Josette↗