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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 91 records · Page 5

Enabling Mission Flexibility to Battery Driven Deep Space Endeavors With Generalized Battery-Health-Monitoring Using Physics-Based and Data-Driven Reduced-Order Models

The needs and requirements for an electrochemical energy storage for deep space exploration is well explored. It is often understood that different mission sites and environmental conditions require different battery chemistries or technologies. Additionally, various engineering solutions are deployed to overcome specific chemical challenges. One often overlooked need is the “health” monitoring of an electrochemical storage system. The term generalized health monitoring, as envisioned in this work, refers to the monitoring of various aspects such as electrode health, electrolyte health, reaction pathway health, cooling system health, sensor health, and BMS health [1]. Generalized health monitoring allows mission leads, engineers, and scientists to incorporate flexibility in mission designs, make on-the-fly mission changes, and extend the duration of science missions. Moreover, it enables automation and data-driven decision-making without compromising safety and performance. Recently, our group developed a hierarchy of thermal reduced-order models (TROM) by combining a physics-based modeling approach and data-driven model reduction techniques applied to flight data [2]. The resulting TROMs were found to be not only accurate but also identifiable from the flight data. Consequently, the coefficient of variance of the model parameters is small over the course of hundreds of flights, allowing for monitoring the parameter evolution trajectories as the battery ages and degrades. These parameters constitute the metrics of the generalized health of a battery. Monitoring their evolution allows such models to be used for anomaly detection and prognostics, improving early detection of abnormal behavior and thus enabling timely maintenance, longer battery life, and enhanced battery safety. For this presentation, the practicality of the thermal model will be validated on a pack of 14cells under various topology configurations such as 1S14P, 2P7S, 7S2P, and 1P14S. It is well known that manufacturing and non-uniform aging lead to variability in the performance of a cell, which is exacerbated by cell balancing during active load. Additionally, in extreme scenarios, the paramount objective is to complete the mission, regardless of the stresses on the battery. Topology-induced balancing issues further stress the battery. The goal of this study is to determine if the noise (identifiability) in the reduced-order thermal model parameters is sensitive to topology, cell spacing, cooling strategy, and manufacturing or age variability. The variability in cells is considered by assuming a multimodal distribution for microscopic parameters of a cell (such as porosity, tortuosity, reaction kinetics, volumetric thermal conductivity, and volumetric heat capacity). The compounded effect of manufacturing variability, topological selection, cooling strategies, and cell balancing ages each cell in a battery differently. The study aims to clarify whether the challenge in extracting maximum information depends on the minimum number of sensors or models used for data extraction.

Automation↗

An explicit Runge-Kutta method for turbulent reacting flow calculations

The paper presents a numerical method for the solution of the conservation equations governing steady, reacting, turbulent viscous flow in two-dimensional geometries, in both Cartesian and axisymmetric coordinates. These equations are written in Favre-averaged form and closed with a first order model. A two-equation K-epsilon model, where low Reynolds number and compressibility effects are included, and a modified eddy-break up model are used to simulate fluid mechanics turbulence, chemistry and turbulence-combustion interaction. The solution is obtained by using a pseudo-unsteady method with improved perturbation propagation properties. The equations are discretized in space by using a finite volume formulation. An explicit multi-stage dissipative Runge-Kutta algorithm is then used to advance the flow equations in the pseudo-time. The method is applied to the computation of both diffusion and premixed turbulent reacting flows. The computed temperature distributions compare favorably with experimental data.

Boretti, A. A.↗

Chemical nonequilibrium Navier-Stokes solutions for hypersonic flow over an ablating graphite nosetip

The general boundary conditions including mass and energy balances of chemically equilibrated or nonequilibrated gas adjacent to ablating surfaces have been derived. A computer procedure based on these conditions was developed and interfaced with the Navier-Stokes solver for predictions of the flow field, surface temperature, and surface ablation rates over re-entry space vehicles with ablating Thermal Protection Systems (TPS). The Navier-Stokes solver with general surface thermochemistry boundary conditions can predict more realistic solutions and provide useful information for the design of TPS. A test case with a proposed hypersonic test vehicle configuration and associated free stream conditions was developed. Solutions with various surface boundary conditions were obtained, and the effect of nonequilibrium gas as well as surface chemistry on surface heating and ablation rate were examined. The solutions of the GASP code with complete ablating surface conditions were compared with those of the ASC code. The direction of future work is also discussed.

Chen, Y. K.↗

Multiple steady states in atmospheric chemistry

The equations describing the distributions and concentrations of trace species are nonlinear and may thus possess more than one solution. This paper develops methods for searching for multiple physical solutions to chemical continuity equations and applies these to subsets of equations describing tropospheric chemistry. The calculations are carried out with a box model and use two basic strategies. The first strategy is a 'search' method. This involves fixing model parameters at specified values, choosing a wide range of initial guesses at a solution, and using a Newton-Raphson technique to determine if different initial points converge to different solutions. The second strategy involves a set of techniques known as homotopy methods. These do not require an initial guess, are globally convergent, and are guaranteed, in principle, to find all solutions of the continuity equations. The first method is efficient but essentially 'hit or miss' in the sense that it cannot guarantee that all solutions which may exist will be found. The second method is computationally burdensome but can, in principle, determine all the solutions of a photochemical system. Multiple solutions have been found for models that contain a basic complement of photochemical reactions involving O(x), HO(x), NO(x), and CH4. In the present calculations, transitions occur between stable branches of a multiple solution set as a control parameter is varied. These transitions are manifestations of hysteresis phenomena in the photochemical system and may be triggered by increasing the NO flux or decreasing the CH4 flux from current mean tropospheric levels.

Stewart, Richard W.↗

Interstellar cloud evolution and the abundance of formaldehyde

The time scale for essentially complete conversion of C(+) to CO in interstellar clouds can be comparable to, or greater than, dynamical time scales for evolution, therefore suggesting steady state time independent abundances to be inappropriate. The solutions for the time-dependent carbon chemistry in dense clouds, with density not less than 500/cu cm, indicate that significant amounts of neutral carbon will be present throughout a cloud's lifetime. These nonequilibrium values of C I can explain the relatively large abundances observed for formaldehyde, isotopes of carbon monoxide, and other trace molecules

Langer, W. D.↗

Strategies for vectorizing the sparse matrix vector product on the CRAY XMP, CRAY 2, and CYBER 205

Large, randomly sparse matrix vector products are important in a number of applications in computational chemistry, such as matrix diagonalization and the solution of simultaneous equations. Vectorization of this process is considered for the CRAY XMP, CRAY 2, and CYBER 205, using a matrix of dimension of 20,000 with from 1 percent to 6 percent nonzeros. Efficient scatter/gather capabilities add coding flexibility and yield significant improvements in performance. For the CYBER 205, it is shown that minor changes in the IO can reduce the CPU time by a factor of 50. Similar changes in the CRAY codes make a far smaller improvement.

Bauschlicher, Charles W., Jr.↗

Modeling of InP metalorganic chemical vapor deposition

The growth of InP by metalorganic chemical vapor deposition (MOCVD) in a horizontal reactor is being modeled with a commercially available computational fluid dynamics modeling code. The mathematical treatment of the MOCVD process has four primary areas of concern: 1) transport phenomena, 2) chemistry, 3) boundary conditions, and 4) numerical solution methods. The transport processes involved in CVD are described by conservation of total mass, momentum, energy, and atomic species. Momentum conservation is described by a generalized form of the Navier-Stokes equation for a Newtonian fluid and laminar flow. The effect of Soret diffusion on the transport of particular chemical species and on the predicted deposition rate is examined. Both gas-phase and surface chemical reactions are employed in the model. Boundary conditions are specified at the inlet and walls of the reactor for temperature, fluid flow and chemical species. The coupled set of equations described above is solved by a finite difference method over a nonuniform rectilinear grid in both two and three dimensions. The results of the 2-D computational model is presented for gravity levels of zero- and one-g. The predicted growth rates at one-g are compared to measured growth rates on fused silica substrates.

Black, Linda R.↗

A modular approach for automated sample preparation and chemical analysis

Changes in international relations, especially within the past several years, have dramatically affected the programmatic thrusts of the U.S. Department of Energy (DOE). The DOE now is addressing the environmental cleanup required as a result of 50 years of nuclear arms research and production. One major obstacle in the remediation of these areas is the chemical determination of potentially contaminated material using currently acceptable practices. Process bottlenecks and exposure to hazardous conditions pose problems for the DOE. One proposed solution is the application of modular automated chemistry using Standard Laboratory Modules (SLM) to perform Standard Analysis Methods (SAM). The Contaminant Analysis Automation (CAA) Program has developed standards and prototype equipment that will accelerate the development of modular chemistry technology and is transferring this technology to private industry.

Clark, Michael L.↗

Opposed Jet Burner Approach for Characterizing Flameholding Potentials of Hydrocarbon Scramjet Fuels

Opposed Jet Burner (OJB) tools have been used extensively by the authors to measure Flame Strength (FS) extinction limits of laminar H2/N2 air and (recently) hydrocarbon (HC) air Counterflow Diffusion Flames (CFDFs) at one atm. This paper details normalization of FSs of N2- diluted H2 and HC systems to account for effects of fuel composition, temperature, pressure, jet diameter, inflow Reynolds number, and inflow velocity profile (plug, contoured nozzle; and parabolic, straight tube). Normalized results exemplify a sensitive accurate means of validating, globally, reduced chemical kinetic models at approx. 1 atm and the relatively low temperatures approximating the loss of non-premixed idealized flameholding, e.g., in scramjet combustors. Laminar FS is defined locally as maximum air input velocity, U(sub air), that sustains combustion of a counter-jet of g-fuel at extinction. It uniquely characterizes a fuel. And global axial strain rate at extinction (U(sub air) normalized by nozzle or tube diameter, D(sub n or (sub t)) can be compared directly with computed extinction limits, determined using either a 1-D Navier Stokes stream-function solution, using detailed transport and finite rate chemistry, or (better yet) a detailed 2-D Navier Stokes numerical simulation. The experimental results define an idealized flameholding reactivity scale that shows wide ranging (50 x) normalized FS s for various vaporized-liquid and gaseous HCs, including, in ascending order: JP-10, methane, JP-7, n-heptane, n-butane, propane, ethane, and ethylene. Results from H2 air produce a unique and exceptionally strong flame that agree within approx. 1% of a recent 2-D numerically simulated FS for a 3 mm tube-OJB. Thus we suggest that experimental FS s and/or FS ratios, for various neat and blended HCs w/ and w/o additives, offer accurate global tests of chemical kinetic models at the Ts and Ps of extinction. In conclusion, we argue the FS approach is more direct and fundamental, for assessing, e.g., idealized scramjet flameholding potentials, than measurements of laminar burning velocity or blowout in a Perfectly Stirred Reactor, because the latter characterize premixed combustion in the absence of aerodynamic strain. And FS directly measures a chemical kinetic characteristic of non-premixed combustion at typical flameholding temperatures. It mimics conditions where gfuels are typically injected into a subsonic flameholding recirculation zone that captures air, where the effects of aerodynamic strain and associated multi-component diffusion become important.

Pellett, Gerald L.↗

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↗

A new technique for low-to-high altitude predictions of ablative hypersonic flowfields

A parabolized Navier-Stokes (PNS) technique for predicting chemically reacting reentry flows over a wide range of altitudes extending from zero to 259 kft is presented. This coupled-chemistry PNS scheme can use either a strongly implicit solution approach or a two-step solution approach and is used to study a hypersonic flow over various configurations over a Mach-number range of 6.89 to 20. It is demonstrated that the two-step solution provides a combination of accuracy, stability, and computational efficiency. Nonablating low-altitude calculations show that the flowfield is in chemical equilibrium only in the near-wall region, while finite-rate chemistry effects are significant over a major portion of the shock layer, and the Blottner-type linearization of the production terms is unstable for low-altitude high-Reynolds-number conditions.

Bhutta, Bilal A.↗

Preliminary thermal analysis for Saturn entry

A preliminary thermal analysis based on recently defined Saturn entry conditions has been conducted. The study, using viscous-shock-layer and engineering codes employed for Project Galileo, investigated nonequilibrium chemistry effects on the Saturn thermal environment, defined the primary heat-transfer mode for heatshield design, delineated some problem areas for future thermal studies, and validated BIRCHES (Blunt Body Inviscid Radiative and Convective Heating Engineering Solutions) for parametric or design studies. The effect of nonequilibrium chemistry appears to significantly influence only the radiative fluxes with effects localized to the stagnation region. However, the heat-transfer mode pertinent to the overall heat-shield design is convection. The convective results of BIRCHES and a detailed code are in good agreement. The resulting mass-loss rates for the currently prescribed nominal Saturn entry conditions are small when compared with the values for nominal Jupiter entry conditions. With coupled carbon-phenolic ablation injection, the convective heating rates are reduced substantially while the radiative heating rates are increased when compared with the corresponding no-injection results.

Zoby, E. V.↗

Solutions for Reacting and Nonreacting Viscous Shock Layers with Multicomponent Diffusion and Mass Injection

Numerical solutions are presented for the viscous shocklayer equations where the chemistry is treated as being either frozen, equilibrium, or nonequilibrium. Also the effects of the diffusion model, surface catalyticity, and mass injection on surface transport and flow parameters are considered. The equilibrium calculations for air species using multicomponent: diffusion provide solutions previously unavailable. The viscous shock-layer equations are solved by using an implicit finite-difference scheme. The flow is treated as a mixture of inert and thermally perfect species. Also the flow is assumed to be in vibrational equilibrium. All calculations are for a 45 deg hyperboloid. The flight conditions are those for various altitudes and velocities in the earth's atmosphere. Data are presented showing the effects of the chemical models; diffusion models; surface catalyticity; and mass injection of air, water, and ablation products on heat transfer; skin friction; shock stand-off distance; wall pressure distribution; and tangential velocity, temperature, and species profiles.

Moss, J. N.↗

Forebody and base region real gas flow in severe planetary entry by a factored implicit numerical method. II - Equilibrium reactive gas

The factored-implicit, gas-dynamic algorithm has been adapted to the numerical simulation of equilibrium reactive flows. Changes required in the perfect gas version of the algorithm are developed, and the method of coupling gas-dynamic and chemistry variables is discussed. A flow-field solution that approximates a Jovian entry case was obtained by this method and compared with the same solution obtained by HYVIS, a computer program much used for the study of planetary entry. Comparison of surface pressure distribution and stagnation line shock-layer profiles indicates that the two solutions agree well.

Davy, W. C.↗

Comments on the present state and future directions of PDF methods

The one point probability density function (PDF) method is examined in light of its use in actual engineering problems. The PDF method, although relatively complicated, appears to be the only format available to handle the nonlinear stochastic difficulties caused by typical reaction kinetics. Turbulence modeling, if it is to play a central role in combustion modeling, has to be integrated with the chemistry in a way which produces accurate numerical solutions to combustion problems. It is questionable whether the development of turbulent models in isolation from the peculiar statistics of reactant concentrations is a fruitful line of development as far as propulsion is concerned. There are three issues for which additional viewgraphs are prepared: the one point pdf method; the amplitude mapping closure; and a hybrid strategy for replacing a full two point pdf treatment of reacting flows by a single point pdf and correlation functions. An appeal is made for the establishment of an adequate data base for compressible flow with reactions for Mach numbers of unity or higher.

Obrien, E. E.↗

The cyclization of arabinosyladenine-5-prime-phosphorimidazolide

When arabinosyladenine-5-prime-phosphorimidazolide is allowed to decompose in aqueous solution at room temperature and pH 7.2, depending on the buffer, 5-24 percent is converted to the 2-prime,5-prime-cyclic phosphate (V). Although the extent of cyclization is much greater than for adenosine-5-prime-phosphorimidazolide, cyclization is less efficient than hydrolysis and so would not substantially decrease the efficiency of condensation reactions in aqueous solution. The significance of this result for prebiotic chemistry is discussed.

Harada, Kazuo↗

A convective and radiative heat transfer analysis for the FIRE II forebody

A Navier-Stokes flowfield solution method (LAURA code) using finite-rate chemistry and two-temperature thermal nonequilibrium was used in combination with two nonequilibrium radiative heat transfer codes to calculate heating for the FIRE II vehicle. An axisymmetric model of the actual body shape was used. One radiative heating code (NEQAIR) was used in uncoupled fashion with the flowfield solver's energy equations, while the other code (LORAN) was used in both coupled and uncoupled variations. Several trajectory points ranging from highly nonequilibrium flow to near-equilibrium flow were used for a study of both convective and radiative heating over the vehicle. Considerable variation in radiative heating was seen at the extremes, while agreement was good in the intermediate trajectory points. Total heat transfer calculations gave good comparison until the peak heating trajectory points were encountered, and returned to good agreement for the last two equilibrium points.

Greendyke, Robert B.↗

Workshop on Cometary Dust in Astrophysics

The paper include contribution of each Lunar and Planetary Institute. Contents include the following: Mass flux in the ancient Earth-Moon system and benign implications for the origin of life on Earth. In-situ analysis of complex organic matter in cometary dust by ion microprobe. Pristine presolar silicon carbide. Infrared spectra of melilite solid solution. Comet observations with SIRTF. Ice and carbon chemistry in comets. The nature in interstellar dust. Modeling the infrared emission from protoplanetary dust disks.

Source record↗