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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Material Model Parameters Optimization in Liquid Mercury Target Dynamics Simulation With Machine Learning Surrogates

A pulsed spallation target is subjected to very short (∼0.7μs) but intense loads (23.3 kJ) from repeated proton pulses, which knock away neutrons from the mercury atoms’ nuclei for a wide range application in physics, engineering, medicine, petroleum exploration, biology, chemistry, etc. The effect of this pulsed loading on the stainless-steel target module which contains the flowing mercury target material is difficult to predict not only due to its short but intense explosive-like physical reaction, but also the nonlinear material behavior of the liquid mercury in the structure. Injecting small helium bubbles in the mercury has been an efficient method of mitigating the pressure wave at high power level stage. However, prediction of the resultant loading on the target is more difficult when helium gas is intentionally injected into the mercury. A 2-phase material model that incorporates the Rayleigh-Plesset (R-P) model is expected to address this complex multi-physics dynamics problem by including the bubble dynamics in the liquid mercury. A parameter sensitivity study was firstly employed to understand their impact on the simulation strains. The investigated parameters included E, μ, γ, σ, n, VFgas, and gas cumulative volume curve control parameters a and b. Verification and validation results from sparse polynomial expansions (SPE) method and directional Gaussian smoothing (DGS) optimization show that the surrogate model had training error of ∼7% and validation error of ∼15%, indicating that machine learning methods and surrogate models can help optimize the uncertain parameters in the complex 2-phase material model. This approach is expected to fill the knowledge gap between unknown liquid-gas mixture material model and measured vessel strain responses.

Lin, Lianshan↗
DOE OSTI2022

Fabrication of Biofunctionalized PVA/PEI Nanofibers for Rare Earth Element Extraction from Coal Mine Tailings

The need for rare earth elements (REEs) for new technology is becoming increasingly stiff with demand at a record high. Biological ligands like lanmodulin and lanthanide binding tags (LBT) have gained noticeable attention for their selective extraction of valuable lanthanide metals in aqueous solution. Building on previous work using microbeads as the extraction media, we propose that nanofibers can improve extraction capabilities. Nanofibers could provide more efficient flow and higher extraction yields due to their high surface area to volume ratio. Relying on thiolmaleimide click chemistry as the biological ligand immobilization route, electrospinning as the nanofiber manufacturing method, and numerous characterization techniques, we produced electrospinning polymer solutions and nanofibers with a maximum neodymium adsorbent capacity of 12.1 μmol/g of extraction media immobilized with LBT. Although the prior work produced an extraction media with an equivalent capacity of ~40 μmol/g, the electrospinning process is much more economical and scalable. This work paves the way for an industrially relevant, environmentally-friendly REE extraction material. Further work is required to produce higher quality nanofibers, to investigate common ion interference with REE adsorbance, and to scale production up to a relevant scale.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1976

Theoretical study of reactive and nonreactive turbulent coaxial jets

The hydrodynamic properties and the reaction kinetics of axisymmetric coaxial turbulent jets having steady mean quantities are investigated. From the analysis, limited to free turbulent boundary layer mixing of such jets, it is found that the two-equation model of turbulence is adequate for most nonreactive flows. For the reactive flows, where an allowance must be made for second order correlations of concentration fluctuations in the finite rate chemistry for initially inhomogeneous mixture, an equation similar to the concentration fluctuation equation of a related model is suggested. For diffusion limited reactions, the eddy breakup model based on concentration fluctuations is found satisfactory and simple to use. The theoretical results obtained from these various models are compared with some of the available experimental data.

Gupta, R. N.↗
NASA NTRS1977

A FORTRAN program for the determination of nozzle contours for rotational, non-homentropic gas mixtures

A program was written which generates a nozzle contour and the complete flow field for two dimensional or axisymetric flows designed to exit parallel to the axis at uniform pressure. The flow is that of a rotational, non-homentropic gas mixture where viscous effects were neglected and the chemistry is assumed frozen. A description of the numerical program developed, is also described.

Kalben, P.↗
NASA NTRS1996

A Parametric Study of a Plug Nozzle, Using the Liquid Propellant Program (LPP) Code

The Liquid Propellant Program (LPP) computer code is a super-set of the industry standard Two Dimensional Kinetics (TDK) computer code. The TDK code uses a two dimensional method of characteristics solution with fully coupled finite rate kinetics for axially symmetric nozzles. The chemical reactions are modeled with a generalized reaction package that include three dimensional body efficiencies and four reaction rate forms. The code performs optional solutions for frozen or equilibrium flow. TDK evaluates discrete shocks, both attached or induced. The Transonic module models variable mixture ratio profiles from the combustion chamber injector. The Mass Addition Boundary Layer module (MABL) calculates the boundary parameters with the same chemistry options, and includes transpiration or tangential slot injection of gas at the wall. The LPP upgrades include: planar nozzle, scarfed nozzles, plug nozzles, and scramjet nozzle configurations. The code evaluates both upper and lower wall flow simulation, and includes the interaction with the external flow. The MABL module evaluates equilibrium radiation heat transfer for both upper and lower walls. In addition, LPP code models combustion effects due to injector inefficiencies with the Spray Combustion Analysis Program (SCAP) module. The LPP package provides extensive post plotting capabilities for flow visualization. The LPP is sufficiently fast and robust to provide performance predictions for extensive parametric studies and sufficiently accurate to provide flow field and performance solutions for detailed studies.

Dunn, Stuart S.↗
DOE OSTI2023

CHARACTERIZATION AND DEVELOPMENT OF THE ALL–AQUEOUS COPPER THERMALLY REGENERATIVE AMMONIA BATTERY

Low temperature thermal energy is an abundant and untapped energy source for large scale electrical power and energy production around the world. Many different stationary sources such as industrial and thermal power plants produce significant amounts of low temperature heat that goes unused. The primary reason for the energy loss is because the temperature of the heat is often too low for traditional systems to economically generate power from this waste heat. Many different technologies are being researched to produce grid–scale power from low temperature heat to increase grid efficiency, advance decarbonization efforts, and progress electrical power production to a more distributed system. A thermally regenerative battery (TRB) is one promising technology in this space, as it has large power and energy densities relative to competitive technologies and therefore has the potential to disrupt the current power generation mix. TRBs combine two unit operations (a redox flow battery and a distillation column) which are easily scalable and mature, meaning that if a viable TRB chemistry can be identified, its development to pilot and commercial scale can be streamlined. The all–aqueous, copper thermally regenerative ammonia battery (Cuaq–TRAB) was the first TRB that did not use an electrodeposition/dissolution reaction by stabilizing Cu(I) and Cu(II) in the electrolyte, allowing all electroactive species to be stable in an aqueous phase. Through these electrolyte modifications, coulombic efficiency, open circuit potential, and copper solubility all increased, resulting in large gains to power density, energy density, and energy efficiency.

Cross, Nicholas↗
DOE OSTI2024

Dependence of Uranium Oxide Polymorphism on Plasma Synthesis Conditions

Here, we synthesized uranium oxide nanoparticles using a plasma flow reactor (PFR) and studied the effects of three different experimental parameters on the resulting morphologies and speciation of the particles: (1) collection duration, (2) collection substrate temperature, and (3) radial collection position due to radial temperature gradients in the PFR. We also induced three distinct temperature histories along the axis of the plasma flow reactor by varying the gas flow rates downstream of the plasma torch. Transmission electron microscopy (TEM) analyses of collected particles showed two phases of uranium oxides (fcc-UO 2 and α-UO 3 ). The chemical compositions of the resulting uranium oxide particles were not altered by the three parameters investigated in this work but varied based on the temperature history induced. Preheating of the collection substrate led to deposition of fewer particles, which is attributed to a reduction in thermophoretic force caused by the reduced temperature gradient for preheated substrates. The relative amounts of UO 2 to UO 3 and particle size varied depending on the cooling history employed during synthesis.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRSDate not supplied

DirectINJECT: Dosing Systems for Concentrated Liquid Biocides

Reliable and mass-efficient techniques for biocide dosing are necessary to enable residual microbial control in spacecraft potable water systems. DirectINJECT is an approach to provide ultra-low flow rate injection of stable aqueous biocide concentrate solution (e.g., highly soluble silver salt). This method has the benefit of low consumable mass and is insensitive to the chemistry of the target water. With a 40 g Ag+/liter solution, required dosing rates would be ~1 μl/minute during water processing (for a system similar to the ISS WPA), requiring only approximately 20 ml/crew-year of concentrate. The performance of three dosing systems were identified and characterized: pressure-driven flow through a robust micro-capillary tube with a solenoid valve shut-off, a miniature peristaltic pump, and a multi-piston pump with integrated valving. Several potential system reliability concerns are addressed including prevention or segregation of gas bubbles in the concentrate reservoirs as well as long-term materials compatibility and mechanical life.

silver↗
NASA NTRS2011

Combustion Model of Supersonic Rocket Exhausts in an Entrained Flow Enclosure

This paper describes the Computational Fluid Dynamics (CFD) model developed to simulate the supersonic rocket exhaust in an entrained flow cylinder. The model can be used to study the plume-induced environment due to static firing tests of the Taurus-II launch vehicle. The finite-rate chemistry is used to model the combustion process involving rocket propellant (RP-1) and liquid oxidizer (LOX). A similar chemical reacting model is also used to simulate the mixing of rocket plume and ambient air. The model provides detailed information on the gas concentration and other flow parameters within the enclosed region, thus allowing different operating scenarios to be examined in an efficient manner. It is shown that the real gas influence is significant and yields better agreement with the theory.

Vu, Bruce T.↗
NASA NTRS1977

Prediction of hydrodynamics and chemistry of confined turbulent methane-air flames with attention to formation of oxides of nitrogen

A formulation of the governing partial differential equations for fluid flow and reacting chemical species in a tubular combustor is presented. A numerical procedure for the solution of the governing differential equations is described, and models for chemical equilibrium and chemical kinetics calculations are presented. The chemical equilibrium model is used to characterize the hydrocarbon reactions. The chemical kinetics model is used to predict the concentrations of the oxides of nitrogen. The combustor consists of a cylindrical duct of varying cross sections with concentric streams of gaseous fuel and air entering the duct at one end. Four sample cases with specified inlet and boundary conditions are considered, and the results are discussed

Elghobashi, S.↗
NASA NTRS2004

Investigation of Navier-Stokes Code Verification and Design Optimization

With rapid progress made in employing computational techniques for various complex Navier-Stokes fluid flow problems, design optimization problems traditionally based on empirical formulations and experiments are now being addressed with the aid of computational fluid dynamics (CFD). To be able to carry out an effective CFD-based optimization study, it is essential that the uncertainty and appropriate confidence limits of the CFD solutions be quantified over the chosen design space. The present dissertation investigates the issues related to code verification, surrogate model-based optimization and sensitivity evaluation. For Navier-Stokes (NS) CFD code verification a least square extrapolation (LSE) method is assessed. This method projects numerically computed NS solutions from multiple, coarser base grids onto a freer grid and improves solution accuracy by minimizing the residual of the discretized NS equations over the projected grid. In this dissertation, the finite volume (FV) formulation is focused on. The interplay between the xi concepts and the outcome of LSE, and the effects of solution gradients and singularities, nonlinear physics, and coupling of flow variables on the effectiveness of LSE are investigated. A CFD-based design optimization of a single element liquid rocket injector is conducted with surrogate models developed using response surface methodology (RSM) based on CFD solutions. The computational model consists of the NS equations, finite rate chemistry, and the k-6 turbulence closure. With the aid of these surrogate models, sensitivity and trade-off analyses are carried out for the injector design whose geometry (hydrogen flow angle, hydrogen and oxygen flow areas and oxygen post tip thickness) is optimized to attain desirable goals in performance (combustion length) and life/survivability (the maximum temperatures on the oxidizer post tip and injector face and a combustion chamber wall temperature). A preliminary multi-objective optimization study is carried out using a geometric mean approach. Following this, sensitivity analyses with the aid of variance-based non-parametric approach and partial correlation coefficients are conducted using data available from surrogate models of the objectives and the multi-objective optima to identify the contribution of the design variables to the objective variability and to analyze the variability of the design variables and the objectives. In summary the present dissertation offers insight into an improved coarse to fine grid extrapolation technique for Navier-Stokes computations and also suggests tools for a designer to conduct design optimization study and related sensitivity analyses for a given design problem.

Vaidyanathan, Rajkumar↗
NASA NTRS1994

Computational study of generic hypersonic vehicle flow fields

The geometric data of the generic hypersonic vehicle configuration included body definitions and preliminary grids for the forebody (nose cone excluded), midsection (propulsion system excluded), and afterbody sections. This data was to be augmented by the nose section geometry (blunt conical section mated with the noncircular cross section of the forebody initial plane) along with a grid and a detailed supersonic combustion ramjet (scramjet) geometry (inlet and combustor) which should be merged with the nozzle portion of the afterbody geometry. The solutions were to be obtained by using a Navier-Stokes (NS) code such as TUFF for the nose portion, a parabolized Navier-Stokes (PNS) solver such as the UPS and STUFF codes for the forebody, a NS solver with finite rate hydrogen-air chemistry capability such as TUFF and SPARK for the scramjet and a suitable solver (NS or PNS) for the afterbody and external nozzle flows. The numerical simulation of the hypersonic propulsion system for the generic hypersonic vehicle is the major focus of this entire work. Supersonic combustion ramjet is such a propulsion system, hence the main thrust of the present task has been to establish a solution procedure for the scramjet flow. The scramjet flow is compressible, turbulent, and reacting. The fuel used is hydrogen and the combustion process proceeds at a finite rate. As a result, the solution procedure must be capable of addressing such flows.

Narayan, Johnny R.↗
DOE OSTI2022

Irradiation of Sintered Mo Disks with Presence of Organic Impurities in He Gas Flow

Argonne National Laboratory (Argonne) is assisting NorthStar Medical Technologies in the development of a domestic supply of 99 Mo. Specifically, the present study focuses on the production of 99 Mo-feed solution used by the RadioGenix™ 99m Tc generator. During the target-irradiation phase of production, impurities can potentially be introduced into the feed, and can lead to disturbance of ligand- 99m Tc complexation chemistry and contamination of the final radiopharmaceutical that directly interacts with the patient. To address this issue, Argonne performed irradiations and chemical processing to identify whether the potential contamination of He flow with hydrocarbon oil during irradiation affects the radiochemical purity of the final K 2 MoO 4 (K 2 TcO 4 ) in 5M KOH solution. To mimic the conditions of real irradiation at NorthStar, Argonne used its electron linear accelerator and Van de Graaff facilities, heated the target and oil source to >800°C, and controlled oxygen in the presence of He during irradiation. Following irradiation, scanning electron microscopy (SEM) and carbon analysis (CA) were used to detect carbon contamination on the solid targets. The radiochemical purity of the dissolved targets was studied via thin-layer paper chromatography (TLC). As a result of these experiments, small regions of the surface of some irradiated disks were found to be high in carbon, but the total carbon content was still negligible in comparison to the reference sample, which had experienced no irradiation or contact with oil. The summarized results from the SEM, CA, and TLC tests lead to the conclusion that even an excess of oil and heating during irradiation do not affect the radiochemical purity of the final product.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1998

High-Density Plasma Reactors: Simulations for Design

The development of improved and more efficient plasma reactors is a costly process for the semiconductor industry. Until five years ago, the Industry made most of its advancements through a trial and error approach. More recently, the role of computational modeling in the design process has increased. Both conventional computational fluid dynamics (CFD) techniques like Navier-Stokes solvers as well as particle simulation methods are used to model plasma reactor flowfields. However, since high-density plasma reactors generally operate at low gas pressures on the order of 1 to 10 mTorr, a particle simulation may be necessary because of the failure of CFD techniques to model rarefaction effects. The direct simulation Monte Carlo method is the most widely accepted and employed particle simulation tool and has previously been used to investigate plasma reactor flowfields. A plasma DSMC code is currently under development at NASA Ames Research Center with its foundation as the object-oriented parallel Cornell DSMC code, MONACO. The present investigation is a follow up of a neutral flow investigation of the effects of process parameters as well as reactor design on etch rate and etch rate uniformity. The previous work concentrated on silicon etch of a chlorine flow in a configuration typical of electron cyclotron resonance (ECR) or helical resonator type reactors. The effects of the plasma on the dissociation chemistry were modeled by making assumptions about the electron temperature and number density. The electrons or ions themselves were not simulated.The present work extends these results by simulating the charged species.The electromagnetic fields are calculated such that power deposition is modeled self-consistently. Electron impact reactions are modeled along with mechanisms for charge exchange. An bipolar diffusion assumption is made whereby electrons remain tied to the ions. However, the velocities of tile electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. The interaction between the neutral flow and plasma is examined, and results for etch rate uniformity from the previous research and the present plasma simulations are compared.

Hash, David B.↗
NASA NTRS2002

Three Dimensional CFD Analysis of the GTX Combustor

The annular combustor geometry of a combined-cycle engine has been analyzed with three-dimensional computational fluid dynamics. Both subsonic combustion and supersonic combustion flowfields have been simulated. The subsonic combustion analysis was executed in conjunction with a direct-connect test rig. Two cold-flow and one hot-flow results are presented. The simulations compare favorably with the test data for the two cold flow calculations; the hot-flow data was not yet available. The hot-flow simulation Indicates that the conventional ejector-ramjet cycle would not provide adequate mixing at the conditions tested. The supersonic combustion ramjet flowfield was simulated with frozen chemistry model. A five-parameter test matrix was specified, according to statistical design-of-experiments theory. Twenty-seven separate simulations were used to assemble surrogate models for combustor mixing efficiency and total pressure recovery. Scramjet injector design parameters (injector angle, location, and fuel split) as well as mission variables (total fuel mass flow and freestream Mach number) were included in the analysis. A promising injector design has been identified that provides good mixing characteristics with low total pressure losses. The surrogate models can be used to develop performance maps of different injector designs. Several complex three-way variable interactions appear within the dataset that are not adequately resolved with the current statistical analysis.

Steffen, C. J., Jr.↗
DOE OSTI2020

Quantifying CTFE content in FK-800 using ATR-FTIR and time to peak crystallization

The chlorotrifluoroethylene (CTFE) content in vinylidene fluoride (VDF)-CTFE copolymers greatly influences the chemical and physical properties and ultimately determines the application. The copolymer known as FK-800 has a VDF:CTFE ratio of ~1:3 and is used almost exclusively as the binder in the insensitive high explosive (HE) formulation PBX 9502. Due to the dangerous nature of HE work and the effect CTFE content variations have, the ability to quickly and easily quantify CTFE content is of interest. Two techniques, attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and time to peak crystallization measured by heat flow calorimetry, were evaluated here as potential means for quantifying CTFE content. Based on the certificate of analyses (COAs), FK-800 lots with varied CTFE content encompassing the range historically used in HE applications were used as standards for both methodologies. For FTIR, a linear regression was performed on the peak area of the C-Cl IR stretch and the CTFE content; the methodology was then demonstrated on four samples, two lots of unadulterated material and material recovered from two HE samples. The calculated CTFE content and COAs were in good agreement for all four samples. Heat flow calorimetry revealed the relationship between time to peak crystallization and CTFE content was best fit by a power regression; the methodology was then tested on two different FK-800 lots. Only one sample showed good agreement between the calculated CTFE content and the COA. This discrepancy indicates the method developed is not suitable for quantifying CTFE, but provides valuable insight regarding the crystallization behavior of VDF-CTFE copolymers.

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

Effect of Formation Heterogeneity on CO 2 Dissolution in Subsurface Porous Media

Dissolution trapping is one of the most dominant mechanisms for the secure storage of CO 2 injected in porous subsurface formations saturated with brine. This trapping mechanism is enhanced by convective mixing, which occurs due to the gravitational instability between the different fluid layers in the aquifer. The reservoir permeability also plays a crucial role in the dissolution rate and overall fluid flow dynamics during the density-driven convection in porous media. Herein this study investigates the role of complex heterogeneity, i.e., irregular permeability distribution in CO 2 dissolution, using a novel experimental approach to create medium permeability heterogeneity in Hele–Shaw cells. Complex subsurface transport phenomena such as a preferential dissolution path, CO 2 sweep efficiency, changes in finger morphology, and CO 2 concentration distribution are visualized by creating heterogeneous media. Experimental results showed that reservoir permeability heterogeneity causes significant channeling effects and poor sweep efficiency. A scaling relationship between average finger growth rate (Gr) and permeability (k) was obtained as Gr [m s –1 ] = 266.8k [m 2 ] + 1.20 × 10 –6 . Furthermore, the mass of CO 2 dissolved is calculated using the spectrophotometric method to characterize the convective instability. The convective flux was analyzed by comparing the experimental dissolution flux with the theoretical diffusion flux, calculating a maximum Sherwood number of 6.8. The study’s findings improve the current understanding of the CO 2 convection morphology in heterogeneous media, allowing better assessment of long-term CO 2 storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗