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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Oxidation of Glycolate in the Defense Waste Processing Facility (DWPF) Recycle Collection Tank - 20305

The Savannah River Site's Defense Waste Processing Facility (DWPF) operations are being upgraded with the introduction of the Nitric-Glycolic Flowsheet. Glycolic acid has been shown superior to formic acid as the reducing acid used during chemical processing. The new flowsheet improves or maintains necessary parameters such as 1) reduction of mercury, 2) adjustment of feed rheology and 3) adjustment of melter oxidation/reduction potential. Further, the potential for catalytic hydrogen generation in DWPF processing is virtually eliminated. DWPF process condensates are collected and returned to the SRS Concentration, Storage and Transfer Facilities (CSTF). The Recycle Collection Tank (RCT) collects off-gas condensate during chemical processing, vitrification, and other unit operations performed in DWPF and is the singular return vessel delivering recycle effluent back to CSTF. Each batch of recycle may contain a small amount of glycolate from chemical processing and melter off-gas condensates. To avoid potential flammability issues due to thermolysis of glycolate in the CSTF, chemical oxidation within the RCT has been investigated as an option for mitigating the transfer of glycolate. Sodium permanganate has been down-selected as the best option for oxidation of glycolate. Testing was performed using both 2-L and 22-L reactors (16,800:1 and 1,530:1 scale by volume) with non-radioactive waste simulants to approximate the expected RCT compositions. RCT simulants were evaluated at various process pH and temperature conditions. Also, RCT operations, namely the sequence of addition of corrosion inhibitors (NaOH and NaNO{sub 2}) versus a permanganate strike, were evaluated. Glycolate was introduced via a sludge simulant to mimic both expected entrainment and abnormal process foam-over conditions - the range being between 68 and 5100 mg/kg glycolate. Glycolate destruction was monitored by ion chromatography (IC). The corresponding manganese behavior was monitored in real-time using in situ ultraviolet-visible (UV-Vis) spectroscopy. RCT glycolate content can be reduced to below the IC detection limit within 90 minutes for all concentrations investigated. Ion Chromatography analysis revealed that under alkaline conditions, glycolate is primarily oxidized to oxalate with no significant formation of CO{sub 2} or carbonate, and nitrite is not oxidized to nitrate. Initially, complete oxidation of organics species and nitrite was assumed. Determination of the mechanistic chemical reaction has allowed the required amount of permanganate to be more accurately predicted and the total addition to be significantly reduced. UV-Vis measurements reveal that permanganate (Mn{sup 7+}) is reduced to manganate (Mn{sup 6+}) in the RCT. The oxidant stoichiometry is defined by using the initial permanganate to glycolate (P/G) molar ratio. At low initial glycolate concentration (68 and 140 mg/kg), the minimum required initial permanganate to glycolate (P/G) molar ratio was found to be 5-6. With high initial glycolate concentrations (5100 mg/kg) a lower (P/G) molar ratio of ∼2.5 was needed. The final portion of this effort supporting the nitric/glycolic flowsheet will be to test actual (fully radioactive) RCT samples as per the above simulant tests. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Group-equivariant autoencoder for identifying spontaneously broken symmetries

We introduce the group-equivariant autoencoder (GE autoencoder), a deep neural network (DNN) method that locates phase boundaries by determining which symmetries of the Hamiltonian have spontaneously broken at each temperature. We use group theory to deduce which symmetries of the system remain intact in all phases, and then use this information to constrain the parameters of the GE autoencoder such that the encoder learns an order parameter invariant to these “never-broken” symmetries. This procedure produces a dramatic reduction in the number of free parameters such that the GE-autoencoder size is independent of the system size. We include symmetry regularization terms in the loss function of the GE autoencoder so that the learned order parameter is also equivariant to the remaining symmetries of the system. By examining the group representation by which the learned order parameter transforms, we are then able to extract information about the associated spontaneous symmetry breaking. We test the GE autoencoder on the 2D classical ferromagnetic and antiferromagnetic Ising models, finding that the GE autoencoder (1) accurately determines which symmetries have spontaneously broken at each temperature; (2) estimates the critical temperature in the thermodynamic limit with greater accuracy, robustness, and time efficiency than a symmetry-agnostic baseline autoencoder; and (3) detects the presence of an external symmetry-breaking magnetic field with greater sensitivity than the baseline method. Lastly, we describe various key implementation details, including a quadratic-programming-based method for extracting the critical temperature estimate from trained autoencoders and calculations of the DNN initialization and learning rate settings required for fair model comparisons.

42 ENGINEERING↗
NASA NTRS1976

Determination of nonlinear energy toughness values for cyclic loading applications

For several years the nonlinear energy method proposed by Liebowitz and Eftis has been examined as a failure criterion for static testing of center-cracked and compact tension specimens. Since the method appears to be valid under conditions of crack-tip plasticity, subcritical crack growth and load relaxation, tests have been conducted to ascertain the merit of this method as a failure criterion under cyclic loading conditions. The nonlinear energy toughness for cyclic loading is obtained from an envelope of the cyclic load-displacement record, which naturally imposes some restrictions on the loading program. The cyclic toughness parameter has been evaluated for thin center-cracked sheets of 2024-T3 and 7075-T6 aluminum alloys. Both alloys exhibited a significant reduction of the cyclic toughness parameter with increasing cyclic life in a manner similar to the classical S-N diagram. It is suggested that this method may serve the design process by allowing the establishment of a fracture toughness parameter capable of including the effects of the entire loading history of a structure into the fracture toughness requirements.

Poulose, P. K.↗
DOE OSTI2023

Sub-100 mA/cm 2 CO 2 -to-CO Reduction Current Densities in Hierarchical Porous Gold Electrocatalysts Made by Direct Ink Writing and Dealloying

While most research efforts on CO 2 -to-CO reduction electrocatalysts focus on boosting their selectivity, the reduction rate, directly proportional to the reduction current density, is another critical parameter to be considered in practical applications. This is because mass transport associated with the diffusion of reactant/product species becomes a major concern at a high reduction rate. Nanostructured Au is a promising CO 2 -to-CO reduction electrocatalyst for its very high selectivity. However, the CO 2 -to-CO reduction current density commonly achieved in conventional nanostructured Au electrocatalysts is relatively low (in the range of 1–10 mA/cm 2 ) for practical applications. In this work, we combine direct ink writing-based additive manufacturing and dealloying to design a robust hierarchical porous Au electrocatalyst to improve the mass transport and achieve high CO 2 -to-CO reduction current densities on the order of 64.9 mA/cm 2 with CO partial current density of 33.8 mA/cm 2 at 0.55 V overpotential using an H-cell configuration. Although the current density achieved in our robust hierarchical porous Au electrocatalyst is one order of magnitude higher than the one achieved in conventional nanostructured electrocatalysts, we found that the selectivity of our system is relatively low, namely 52%, which suggests that mass transport remains a critical issue despite the hierarchical porous architecture. We further show that the bulk dimension of our electrocatalyst is a critical parameter governing the interplay between selectivity and reduction rate. In conclusion, the insights gained in this work shed new light on the design of electrocatalysts toward scale-up CO 2 reduction and beyond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Response of the Current Climate to Land‐Ocean Contrasts in Parameterized Cumulus Entrainment

Abstract Cumulus entrainment substantially regulates the earth's climate but remains poorly constrained in global climate models. Recent studies have shown that cumulus bulk entrainment (or dilution) is particularly sensitive to continentality, with the entrainment rate in simulated maritime cumuli nearly double that of continental cumuli. This study examines the impacts of such land–ocean entrainment contrasts on the current climate using 21‐year simulations with the Geophysical Fluid Dynamics Laboratory's High‐Resolution Atmospheric Model (HIRAM). In response to a 25% reduction in the HIRAM entrainment parameter c 0 over land, precipitation over tropical land regions increases by up to 40%. Along with directly facilitating enhanced convective precipitation, this c 0 reduction induces an increase in soil moisture, which may contribute to a further enhancement of convective precipitation over land. A 25% c 0 reduction over the oceans leads to more widespread modifications of convection patterns, with the strongest signal in the tropical Pacific. Deep convection shifts upstream (eastward) there, inducing enhanced large‐scale ascent over the central Pacific with compensating subsidence and reduced humidity and precipitation over the western Pacific (WP). Land–ocean variations in c 0 project onto the Pacific Walker circulation, with the 25% land reduction strengthening it by 4% and the 25% ocean reduction weakening it by 14%. These changes are driven by variations in convective and large‐scale stratiform heating over the Pacific. While reduced c 0 over land enhances diabatic heating in the Maritime Continent to strengthen the Walker circulation, reduced c 0 over the oceans decreases diabatic heating in the WP to weaken the Walker circulation.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2006

Latitudinal variations of cloud base height and lightning parameters in the tropics

The observed reduction in cloud-to-ground lightning in the new-equational zone is examined from the perspective of the width of the main negative charge region. Thermodynamic observations of cloud base height also show a climatological minimum value in the near-equatorial region. The association of low cloud base with both narrow updrafts and narrow changing zones may impede the bridging of the large air gap to ground, and thereby suppress cloud-to-ground lightning activity. This width dependence may be more important than the approx. 10% variation in height of the freezing level in the encouraging flashes to ground.

Mushtak, V. C.↗
NASA NTRS2008

Prediction of Turbulent Jet Mixing Noise Reduction by Water Injection

A one-dimensional control volume formulation is developed for the determination of jet mixing noise reduction due to water injection. The analysis starts from the conservation of mass, momentum and energy for the confrol volume, and introduces the concept of effective jet parameters (jet temperature, jet velocity and jet Mach number). It is shown that the water to jet mass flow rate ratio is an important parameter characterizing the jet noise reduction on account of gas-to-droplet momentum and heat transfer. Two independent dimensionless invariant groups are postulated, and provide the necessary relations for the droplet size and droplet Reynolds number. Results are presented illustrating the effect of mass flow rate ratio on the jet mixing noise reduction for a range of jet Mach number and jet Reynolds number. Predictions from the model show satisfactory comparison with available test data on perfectly expanded hot supersonic jets. The results suggest that significant noise reductions can be achieved at increased flow rate ratios.

Kandula, Max↗
NASA NTRS2007

Effective Jet Properties for the Prediction of Turbulent Mixing Noise Reduction by Water Injection

A one-dimensional control volume formulation is developed for the determination of jet mixing noise reduction due to water injection. The analysis starts from the conservation of mass, momentum and energy for the control volume, and introduces the concept of effective jet parameters (jet temperature, jet velocity and jet Mach number). It is shown that the water to jet mass flow rate ratio is an important parameter characterizing the jet noise reduction on account of gas-to-droplet momentum and heat transfer. Two independent dimensionless invariant groups are postulated, and provide the necessary relations for the droplet size and droplet Reynolds number. Results are presented illustrating the effect of mass flow rate ratio on the jet mixing noise reduction for a range of jet Mach number and jet Reynolds number. Predictions from the model show satisfactory comparison with available test data on supersonic jets. The results suggest that significant noise reductions can be achieved at increased flow rate ratios.

Kandula, Max↗
NASA NTRS2002

Studies of Dust Emission as Measured by DIRBE and IRAS

The main activity supported by this grant was to make the dust reddening map more useful for optical and microwave astronomy, and to increase our understanding of interstellar dust in general. We completed all the major objectives of the proposal, and we are eagerly awaiting the launch of Space Infrared Telescope Facility (SIRTF) so that we can check one of our most controversial conclusions. According to the ADS abstract service, the above paper has been cited 895 times. A number of authors have claimed the SFD98 dust maps are miscalibrated, but recent work suggests that the calibration is correct. The primary goal of this ADP grant was to determine the microwave / sum-mm spectrum of interstellar dust emission by cross-correlating the Far Infrared Absolute Spectrophotometer (FIRAS) spectra with a model based on the SFD98 dust map. Because of temperature variation, large (factor of two) variations are observed in submillimeter / 100 micron ratio, so a careful accounting of dust temperature data, based on Diffuse Infrared Background Experiment (DIRBE) 100 and 240 micron channels, was required. Even this improvement was unable to reduce the chi(sup 2) per degree of freedom below 30. Further study revealed that a two-component model, with the two components having different (but reasonable) optical properties, achieved a decrease in chi(sup 2) to less than 2, five times better than the next best fit in the literature. The resulting model uses density and temperature estimates based on DIRBE data, with only four global parameters fit using the FIRAS data. This dramatic reduction in chi(sup 2) using only four fit parameters may indicate that the model is physically correct, but in any case, it is an acceptable phenomenological model. We have released the appropriate data and software on our website (http://astro.berkeley.edu/dust) to allow users to compute the interstellar dust emission between from 100-3000 GHz (or 100 micron 3 mm) with approx. 15% precision. The paper describing these efforts appeared in ApJ 524, 867. This paper has to date been cited 24 times.

Davis, Marc↗
NASA NTRS1992

Krylov vector methods for model reduction and control of flexible structures

Krylov vectors and the concept of parameter matching are combined here to develop model-reduction algorithms for structural dynamics systems. The method is derived for a structural dynamics system described by a second-order matrix differential equation. The reduced models are shown to have a promising application in the control of flexible structures. It can eliminate control and observation spillovers while requiring only the dynamic spillover terms to be considered. A model-order reduction example and a flexible structure control example are provided to show the efficacy of the method.

Su, Tzu-Jeng↗
NASA NTRS1979

Preliminary noise tradeoff study of a Mach 2.7 cruise aircraft

NASA computer codes in the areas of preliminary sizing and enroute performance, takeoff and landing performance, aircraft noise prediction, and economics were used in a preliminary noise tradeoff study for a Mach 2.7 design supersonic cruise concept. Aerodynamic configuration data were based on wind-tunnel model tests and related analyses. Aircraft structural characteristics and weight were based on advanced structural design methodologies, assuming conventional titanium technology. The most advanced noise prediction techniques available were used, and aircraft operating costs were estimated using accepted industry methods. The 4-engines cycles included in the study were based on assumed 1985 technology levels. Propulsion data was provided by aircraft manufacturers. Additional empirical data is needed to define both noise reduction features and other operating characteristics of all engine cycles under study. Data on VCE design parameters, coannular nozzle inverted flow noise reduction and advanced mechanical suppressors are urgently needed to reduce the present uncertainties in studies of this type.

Mascitti, V. R.↗
DOE OSTI2020

CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics**

When choosing experimental conditions, Bayesian statistical tools can predict the experimental choices which will yield the highest information gain. Experimental choices could be temperature, pressure, reaction time, number of measurements, reactor volume, etc.. Three example analyses are presented here, each using the software Chemical Kinetics Parameter Estimation and Uncertainty Quantification (CheKiPEUQ). Information gain is a measure of reduction of uncertainty in a model's parameters. The three chemical system examples presented each illustrate Bayesian Design of Experiments using information gain. In the first chemical example, temperature selection impacts the information gain for the free energy of reaction in a two-component equilibrium reaction. In the second example, temperature and pressure are explored for a competitive adsorption Langmuir replacement reaction system. Finally, the third example is a catalytic membrane reactor which is a culmination of the previous examples. The catalytic membrane reactor has a complex and nonlinear response in the observables which is solved by numerical evaluation. In the three examples, the experimental conditions are treated as design variables for maximizing information gain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Basic research for the geodynamics program

Additional results are presented concerning a study that considers improvements over present Earth Rotation Parameter (ERP) determination methods by directly combining observations from various space geodetic systems in one adjustment. Earlier results are extended, showing that in addition to slight improvements in accuracy, substantial (a factor of three or more) improvements in precision and significant reductions in correlations between various parameters can be obtained (by combining Lunar Laser Ranging - LLR, Satellite Laser Ranging - SLR to Lageos, and Very Long Baseline Interferometry - VLBI data in one adjustment) as compared to results from individual systems. Smaller improvements are also seen over the weighted means of the individual system results. Although data transmission would not be significantly reduced, negligible additional computer time would be required if (standardized) normal equations were available from individual solutions. Suggestions for future work and implications for the New Earth Rotation Service (IERS) are also presented.

Mueller, Ivan I.↗
NASA NTRS1992

Development of an expert data reduction assistant

We propose the development of an expert system tool for the management and reduction of complex data sets. The proposed work is an extension of a successful prototype system for the calibration of CCD images developed by Dr. Johnston in 1987. The reduction of complex multi-parameter data sets presents severe challenges to a scientist. Not only must a particular data analysis system be mastered, (e.g. IRAF/SDAS/MIDAS), large amounts of data can require many days of tedious work and supervision by the scientist for even the most straightforward reductions. The proposed Expert Data Reduction Assistant will help the scientist overcome these obstacles by developing a reduction plan based on the data at hand and producing a script for the reduction of the data in a target common language.

Miller, Glenn E.↗
NASA NTRS1993

Development of an expert data reduction assistant

We propose the development of an expert system tool for the management and reduction of complex datasets. the proposed work is an extension of a successful prototype system for the calibration of CCD (charge coupled device) images developed by Dr. Johnston in 1987. (ref.: Proceedings of the Goddard Conference on Space Applications of Artificial Intelligence). The reduction of complex multi-parameter data sets presents severe challenges to a scientist. Not only must a particular data analysis system be mastered, (e.g. IRAF/SDAS/MIDAS), large amounts of data can require many days of tedious work and supervision by the scientist for even the most straightforward reductions. The proposed Expert Data Reduction Assistant will help the scientist overcome these obstacles by developing a reduction plan based on the data at hand and producing a script for the reduction of the data in a target common language.

Miller, Glenn E.↗
DOE OSTI2023

Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansätze for Hybrid Variational Quantum Computing

One of the commonly used chemical-inspired approaches in variational quantum computing is the unitary coupled-cluster (UCC) ansatze. Despite being a systematic way of approaching the exact limit, the number of parameters in the standard UCC ansatze exhibits unfavorable scaling with respect to the system size, hindering its practical use on near-term quantum devices. Efforts have been taken to propose some variants of UCC ansatze with better scaling. In this paper we explore the parameter redundancy in the preparation of unitary coupled-cluster singles and doubles (UCCSD) ansatze employing spin-adapted formulation, small amplitude filtration, and entropy-based orbital selection approaches. Numerical results of using our approach on some small molecules have exhibited a significant cost reduction in the number of parameters to be optimized and in the time to convergence compared with conventional UCCSD-VQE simulations. Further, we also discuss the potential application of some machine learning techniques in further exploring the parameter redundancy, providing a possible direction for future studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Noise reduction of a composite cylinder subjected to random acoustic excitation

Interior and exterior noise measurements were conducted on a stiffened composite floor-equipped cylinder, with and without an interior trim installed. Noise reduction was obtained for the case of random acoustic excitation in a diffuse field; the frequency range of interest was 100-800-Hz one-third octave bands. The measured data were compared with noise reduction predictions from the Propeller Aircraft Interior Noise (PAIN) program and from a statistical energy analysis. Structural model parameters were not predicted well by the PAIN program for the given input parameters; this resulted in incorrect noise reduction predictions for the lower one-third octave bands where the power flow into the interior of the cylinder was predicted on a mode-per-mode basis.

Grosveld, Ferdinand W.↗
NASA NTRS2011

Optimizing Muscle Parameters in Musculoskeletal Modeling Using Monte Carlo Simulations

Astronauts assigned to long-duration missions experience bone and muscle atrophy in the lower limbs. The use of musculoskeletal simulation software has become a useful tool for modeling joint and muscle forces during human activity in reduced gravity as access to direct experimentation is limited. Knowledge of muscle and joint loads can better inform the design of exercise protocols and exercise countermeasure equipment. In this study, the LifeModeler(TM) (San Clemente, CA) biomechanics simulation software was used to model a squat exercise. The initial model using default parameters yielded physiologically reasonable hip-joint forces. However, no activation was predicted in some large muscles such as rectus femoris, which have been shown to be active in 1-g performance of the activity. Parametric testing was conducted using Monte Carlo methods and combinatorial reduction to find a muscle parameter set that more closely matched physiologically observed activation patterns during the squat exercise. Peak hip joint force using the default parameters was 2.96 times body weight (BW) and increased to 3.21 BW in an optimized, feature-selected test case. The rectus femoris was predicted to peak at 60.1% activation following muscle recruitment optimization, compared to 19.2% activation with default parameters. These results indicate the critical role that muscle parameters play in joint force estimation and the need for exploration of the solution space to achieve physiologically realistic muscle activation.

Hanson, Andrea↗