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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Direct Uranium Isotopic Analysis of Swipe Surfaces by Microextraction-ICP-MS

The ability to directly measure uranium isotope ratios on environmental swipes has been achieved through a solution-based microextraction process and represents a significant advancement toward the development of a rapid method to analyze international nuclear safeguard samples. Here, a microextraction probe is lowered and sealed onto the swipe surface, and analytes within the sampling site (~8 mm2) are dissolved and extracted into a flowing solvent of 2% nitric acid (HNO 3 ). The mobilized species are subsequently directed into an inductively coupled plasma-mass spectrometer (ICP-MS) for accurate and precise isotope ratio determination. This work highlights the novelty of the sampling mechanism, particularly with the direct coupling of the microextraction probe to the ICP-MS and measurement of uranium isotope ratios. The preliminary method detection limit for the microextraction-ICP-MS method, utilizing a quadrupole-based MS, was determined to be ~50 pg of 238 U. Additionally, precise and accurate isotope ratio measurements were achieved on uranium reference materials for both the major ( 235 U/ 238 U) and minor ( 234 U/ 238 U and 236 U/ 238 U) ratios. While the present work is focused on directly measuring uranium isotopic systems on swipe surfaces for nuclear safeguards and verification applications, the benefits would extend across many applications in which direct solid sampling is sought for elemental and isotopic analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Challenges Facing Design and Analysis Tools

The design and analysis of future aerospace systems will strongly rely on advanced engineering analysis tools used in combination with risk mitigation procedures. The implications of such a trend place increased demands on these tools to assess off-nominal conditions, residual strength, damage propagation, and extreme loading conditions in order to understand and quantify these effects as they affect mission success. Advances in computer hardware such as CPU processing speed, memory, secondary storage, and visualization provide significant resources for the engineer to exploit in engineering design. The challenges facing design and analysis tools fall into three primary areas. The first area involves mechanics needs such as constitutive modeling, contact and penetration simulation, crack growth prediction, damage initiation and progression prediction, transient dynamics and deployment simulations, and solution algorithms. The second area involves computational needs such as fast, robust solvers, adaptivity for model and solution strategies, control processes for concurrent, distributed computing for uncertainty assessments, and immersive technology. Traditional finite element codes still require fast direct solvers which when coupled to current CPU power enables new insight as a result of high-fidelity modeling. The third area involves decision making by the analyst. This area involves the integration and interrogation of vast amounts of information - some global in character while local details are critical and often drive the design. The proposed presentation will describe and illustrate these areas using composite structures, energy-absorbing structures, and inflatable space structures. While certain engineering approximations within the finite element model may be adequate for global response prediction, they generally are inadequate in a design setting or when local response prediction is critical. Pitfalls to be avoided and trends for emerging analysis tools will be described.

Knight, Norman F., Jr.↗
NASA NTRS1987

Approximate Analysis of Semiconductor Laser Arrays

Simplified equation yields useful information on gains and output patterns. Theoretical method based on approximate waveguide equation enables prediction of lateral modes of gain-guided planar array of parallel semiconductor lasers. Equation for entire array solved directly using piecewise approximation of index of refraction by simple functions without customary approximation based on coupled waveguid modes of individual lasers. Improved results yield better understanding of laser-array modes and help in development of well-behaved high-power semiconductor laser arrays.

Marshall, William K.↗
NASA NTRS1986

PAN AIR analysis of the NASA/MCAIR 279-3: An advanced supersonic V/STOL fighter/attack aircraft

PAN AIR is a computer program for predicting subsonic or supersonic linear potential flow about arbitrary configurations. The program was applied to a highly complex single-engine-cruise V/STOL fighter/attack aircraft. Complexities include a close-coupled canard/wing, large inlets, and four exhaust nozzles mounted directly under the wing and against the fuselage. Modeling uncertainties involving canard wake location and flow-through approximation through the inlet and the exhaust nozzles were investigated. The recently added streamline capability of the program was utilized to evaluate visually the predicted flow over the model. PAN AIR results for Mach numbers of 0.6, 0.9, and angles of attack of 0, 5, and 10 deg. were compared with data obtained in the Ames 11- by 11-Foot Transonic Wind tunnel, at a Reynolds number of 3.69 x 10 to the 6th power based on c bar.

Madson, Michael D.↗
NASA NTRS1997

Multicriteria Gain Tuning for Rotorcraft Flight Controls (also entitled The Development of the Conduit Advanced Control System Design and Evaluation Interface with a Case Study Application Fly by Wire Helicopter Design)

Handling qualities analysis and control law design would seem to be naturally complimenting components of aircraft flight control system design, however these two closely coupled disciplines are often not well integrated in practice. Handling qualities engineers and control system engineers may work in separate groups within an aircraft company. Flight control system engineers and handling quality specialists may come from different backgrounds and schooling and are often not aware of the other group's research. Thus while the handling qualities specifications represent desired aircraft response characteristics, these are rarely incorporated directly in the control system design process. Instead modem control system design techniques are based on servo-loop robustness specifications, and simple representations of the desired control response. Comprehensive handling qualities analysis is often left until the end of the design cycle and performed as a check of the completed design for satisfactory performance. This can lead to costly redesign or less than satisfactory aircraft handling qualities when the flight testing phase is reached. The desire to integrate the fields of handling qualities and flight,control systems led to the development of the CONDUIT system. This tool facilitates control system designs that achieve desired handling quality requirements and servo-loop specifications in a single design process. With CONDUIT, the control system engineer is now able to directly design and control systems to meet the complete handling specifications. CONDUIT allows the designer to retain a preferred control law structure, but then tunes the system parameters to meet the handling quality requirements.

Biezad, Daniel↗
DOE OSTI2023

Cost-constrained adaptive simulations of transient spray combustion in a gas turbine combustor

Predictive high-fidelity simulations of turbulent spray combustion must capture the combined effects of complex chemistry, multiphase evaporating flow and spray-flame interactions to achieve physical accuracy. Finite-rate chemistry (FRC) combined with a realistic chemical mechanism is a combustion model well-suited for this purpose, but has a high computational cost due to the large number and stiffness of transported chemical species. In contrast, flamelet-based models achieve lower cost by transporting a small number of quantities of reduced stiffness, but assumptions regarding local flame topology, boundary conditions and inter-phase coupling limit their physical accuracy. Recently, the Pareto-efficient combustion (PEC) framework was developed to dynamically assign combustion models based on local cost and accuracy metrics in gas-phase reacting flows. In this work, we extend this PEC framework to spray combustion through the rigorous analysis of the multiphase coupling terms in the governing equations. The derivation shows that spray evaporation causes errors in the prediction of species mass fractions for flamelet-based models due to the sensitivity of the local thermo-chemical state to changes in composition caused by fuel vaporization across combustion regimes present in practical spray combustion devices. Sub-model assignment is formulated as a multiple-choice knapsack problem, where computational cost is directly controlled through the fraction of the domain assigned to the FRC sub-model. The extended PEC formulation is applied to the simulation of a realistic rich-quench-lean gas turbine combustor at steady-state conditions, as well as transient operation resulting in lean blow-out (LBO). Analysis of transient simulations during LBO demonstrates the extended PEC formulation’s capacity to dynamically adapt to changing conditions within the combustor. Transient combustor dynamics are shown to approach convergence with limited increases in computational cost, while retaining substantial computational cost reduction compared to monolithic FRC simulations. Through PEC simulations with increasing fractions of the domain assigned to FRC, monolithic flamelet simulations are shown to over-predict flame stability during LBO. Finally, the extended PEC formulation is thus shown to overcome deficiencies of monolithic models by controlling modeling error for multiphase combustion modeling.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

An approach to separating Pu, U, and Ti from high-purity graphite for isotopic analysis by MC-ICP-MS

Information about elemental and isotopic systematics of ultra-trace level actinides (e.g. U and Pu) and main group elements (e.g. Ti) present within nuclear grade graphite is vital to the nuclear community for improved reactor operation and security. In support of this, extensive effort has been placed on improving analysis methods (i.e., inductively coupled plasma-mass spectrometry). However, significantly less effort has been devoted to the optimization of chemical separation methods. Within the separation community, commercially available Eichrom™ resins are often employed, as their elution characteristics for various elements have been well studied, but the direct optimization of actinides and trace metal separations from a single sample have not been widely investigated. Here, methods using various Eichrom pre-packed cartridges were explored to achieve separation of ultra-trace levels of U, Pu, and Ti from a variety of graphite samples. Once the validity of the combined separation scheme was established using certified reference materials, the method was applied to historic, unirradiated and irradiated, graphite samples. For all samples investigated, precise isotope ratio measurements for the titanium isotope systems were made.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1972

Hypersonic aerodynamics and entry-maneuver: Aerothermodynamic interactions for two lifting entry vehicles

The longitudinal, directional, and lateral static stability and control characteristics of a delta lifting body and a delta-wing body were obtained at a Mach number of 20 in helium for operational Reynolds numbers over an angle-of-attack range of -4 deg to 55 deg. The aerodynamic characteristics of the wing body were then evaluated in an entry study to examine the effects of vehicle performance on the aerothermodynamic parameters associated with constant and variable angle-of-attack modes for a 1500-n. mi. cross range. The experimental results indicated that the vehicles were stable, except for neutral directional stability for the wing-body shape, and could be trimmed over the operational angle-of-attack range; however, the wing-body vehicle had adverse yaw due to roll control. This roll-yaw coupling was not examined for the lifting body. The trajectory analysis indicated that a 17-percent decrease in performance required little change in the constant angle-of-attack entry mode and, in turn, resulted in a small decrease in the total heat load. For the pitch-modulated entry, the performance decrease required the pitch maneuver to begin earlier during entry and to last longer in order to meet the 1500-n. mi. cross range without a major heating penalty. The performance reduction also had little effect on the maximum laminar radiation equilibrium temperature over a major portion of the lower surface of the wing-body vehicle regardless of the entry mode.

Arrington, J. P.↗
NASA NTRS1975

Effect of afterburner lights and inlet unstarts on a mixed compression inlet turbofan engine operating at Mach 2.5

Data are presented to show the response of an uncontrolled inlet to afterburner lightoff disturbances when a mixed-compression inlet is coupled to a turbofan engine. The results show a significant upstream shock excursion when the afterburner lights which is a result of the direct communication between the afterburner region and the inlet by means of the fan duct and fan stages. In addition results of a waveform analysis on the inlet pressure response to the afterburner light is presented. Inlet unstarts and their effect on operation of the propulsion system is also discussed.

Baumbick, R. J.↗
NASA NTRS1989

A zonal method for modeling powered-lift aircraft flow fields

A zonal method for modeling powered-lift aircraft flow fields is based on the coupling of a three-dimensional Navier-Stokes code to a potential flow code. By minimizing the extent of the viscous Navier-Stokes zones the zonal method can be a cost effective flow analysis tool. The successful coupling of the zonal solutions provides the viscous/inviscid interations that are necessary to achieve convergent and unique overall solutions. The feasibility of coupling the two vastly different codes is demonstrated. The interzone boundaries were overlapped to facilitate the passing of boundary condition information between the codes. Routines were developed to extract the normal velocity boundary conditions for the potential flow zone from the viscous zone solution. Similarly, the velocity vector direction along with the total conditions were obtained from the potential flow solution to provide boundary conditions for the Navier-Stokes solution. Studies were conducted to determine the influence of the overlap of the interzone boundaries and the convergence of the zonal solutions on the convergence of the overall solution. The zonal method was applied to a jet impingement problem to model the suckdown effect that results from the entrainment of the inviscid zone flow by the viscous zone jet. The resultant potential flow solution created a lower pressure on the base of the vehicle which produces the suckdown load. The feasibility of the zonal method was demonstrated. By enhancing the Navier-Stokes code for powered-lift flow fields and optimizing the convergence of the coupled analysis a practical flow analysis tool will result.

Roberts, D. W.↗
DOE OSTI2022

Deciphering Distinct Overpotential-Dependent Pathways for Electrochemical CO 2 Reduction Catalyzed by an Iron–Terpyridine Complex

[Fe(tpyPY2Me)] 2+ ([Fe] 2+ ) is a homogeneous electrocatalyst for converting CO 2 into CO featuring low overpotentials of <100 mV, near-unity selectivity, and high activity with turnover frequencies faster than 100 000 s -1 . To identify the origins of its exceptional performance and inform future catalyst design, we report a combined computational and experimental study that establishes two distinct mechanistic pathways for electrochemical CO 2 reduction catalyzed by [Fe] 2+ as a function of applied overpotential. Electrochemical data shows the formation of two catalytic regimes at low (η TOF/2 of 160 mV) and high (η TOF/2 of 590 mV) overpotential plateaus. We propose that at low overpotentials [Fe] 2+ undergoes a two-electron reduction, two-proton-transfer mechanism (electrochemical-electrochemical-chemical-chemical, EECC), where turnover occurs through the dicationic iron complex, [Fe] 2+ . Computational analysis supports the importance of the singlet ground-state electronic structure for CO 2 binding and that the rate-limiting step is the second protonation in this low-overpotential regime. When more negative potentials are applied, an additional electron-transfer event occurs through either a stepwise or proton-coupled electron-transfer (PCET) pathway, enabling catalytic turnover from the monocationic iron complex ([Fe] + ) via an electrochemical-chemical-electrochemical-chemical (ECEC) mechanism. Comparison of experimental kinetic data obtained from variable controlled potential electrolysis (CPE) experiments with direct product detection with calculated rates obtained from the energetic span model supports the PCET pathway as the most likely mechanism. Moreover, we build upon this mechanistic understanding to propose the design of an improved ligand framework that is predicted to stabilize the key transition states identified in our study and explore their electronic structures using an energy decomposition analysis. Finally, taken together, this work highlights the value of synergistic computational/experimental approaches to decipher mechanisms of new electrocatalysts and direct the rational design of improved platforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Solar-Terrestrial Coupling Evidenced by Periodic Behavior in Geomagnetic Indexes and the Infrared Energy Budget of the Thermosphere

We examine time series of the daily global power (W) radiated by carbon dioxide (at 15 microns) and by nitric oxide (at 5.3 microns) from the Earth s thermosphere between 100 km and 200 km altitude. Also examined is a time series of the daily absorbed solar ultraviolet power in the same altitude region in the wavelength span 0 to 175 nm. The infrared data are derived from the SABER instrument and the solar data are derived from the SEE instrument, both on the NASA TIMED satellite. The time series cover nearly 5 years from 2002 through 2006. The infrared and solar time series exhibit a decrease in radiated and absorbed power consistent with the declining phase of the current 11-year solar cycle. The infrared time series also exhibits high frequency variations that are not evident in the solar power time series. Spectral analysis shows a statistically significant 9-day periodicity in the infrared data but not in the solar data. A very strong 9-day periodicity is also found to exist in the time series of daily A(sub p) and K(sub p) geomagnetic indexes. These 9-day periodicities are linked to the recurrence of coronal holes on the Sun. These results demonstrate a direct coupling between the upper atmosphere of the Sun and the infrared energy budget of the thermosphere.

Mlynczak, Martin G.↗
NASA NTRS2022

Effect of Assimilating SMAP Soil Moisture on CO2 and CH4 Fluxes through Direct Insertion in a Land Surface Model

Soil moisture impacts the biosphere–atmosphere exchange of CO2 and CH4 and plays an important role in the terrestrial carbon cycle. A better representation of soil moisture would improve coupled carbon–water dynamics in terrestrial ecosystem models and could potentially improve model estimates of large-scale carbon fluxes and climate feedbacks. Here, we investigate using soil moisture observations from the Soil Moisture Active Passive (SMAP) satellite mission to inform simulated carbon fluxes in the global terrestrial ecosystem model LPJ-wsl. Results suggest that the direct insertion of SMAP reduces the bias in simulated soil moisture at in situ measurement sites by 40%, with a greater improvement at temperate sites. A wavelet analysis between the model and measurements from 26 FLUXNET sites suggests that the assimilated run modestly reduces the bias of simulated carbon fluxes for boreal and subtropical sites at 1–2-month time scales. At regional scales, SMAP soil moisture can improve the estimated responses of CO2 and CH4 fluxes to extreme events such as the 2018 European drought and the 2019 rainfall event in the Sudd (Southern Sudan) wetlands. The simulated improvements to land–surface carbon fluxes using the direct insertion of SMAP are shown across a variety of timescales, which suggests the potential of SMAP soil moisture in improving the model representation of carbon–water coupling.

SMAP↗
DOE OSTI2024

Digital Twin for Chemical Science (DTCS) v0.01

Directly visualizing the trajectories of chemistry can unravel novel insights into the behavior of catalysts, gas phase reactions, photo-induced dynamics, and building blocks for quantum information processing. The ability of explicitly identifying, tracking, and tagging the exchange of matter, hence the annihilation and creation of new chemical species, can be best realized through a close coupling of theory and experiment. While the synchrotron-based characterization facilities propelled rapidly in its hardware, providing higher brightness, better resolution, and more precision, the software infrastructure is lagging. We developed DTCS (Digital Twin for Chemical Science) v.01, a central platform that faithfully mimics advanced instrumentations in Scientific User Facilities, by solving a variety of technical challenges in data acquisition, analysis, and model-driven interpretation. Rooted in physics and accelerated by AI, we validated this concept by direct comparison with precise experimental X-ray Photoelectron Spectroscopy (XPS) observations using a ubiquitous metal-water interfacial scenario, i.e., Ag/H2O as our main narrative. The DTCS v.01 input mirrors how the bench chemists work, with the output directly linked to the end station computer, thereby providing a user-friendly, knowledge-driven, and accessible user experience with mechanistic insights standardized in a way that are ready to be published, versioned, and transferred flexibly.

Qian, Jin↗
DOE OSTI2021

A Transported Livengood–Wu Integral Model for Knock Prediction in Computational Fluid Dynamics Simulation

This work describes the development of a transported Livengood–Wu (L–W) integral model for computational fluid dynamics (CFD) simulation to predict autoignition and engine knock tendency. The currently employed L–W integral model considers both single-stage and two-stage ignition processes, thus can be generally applied to different fuels such as paraffin, olefin, aromatics, and alcohol. The model implementation is first validated in simulations of homogeneous charge compression ignition (HCCI) combustion for three different fuels, showing good accuracy in prediction of autoignition timing for fuels with either single-stage or two-stage ignition characteristics. Then, the L–W integral model is coupled with G-equation model to indicate end-gas autoignition and knock tendency in CFD simulations of a direct-injection spark-ignition engine. This modeling approach is about 10 times more efficient than the ones that based on detailed chemistry calculation and pressure oscillation analysis. Two fuels with same Research Octane Number (RON) but different octane sensitivity are studied, namely, Co-Optima alkylate and Co-Optima E30. Feed-forward neural network model in conjunction with multivariable minimization technique is used to generate fuel surrogates with targets of matched RON, octane sensitivity, and ethanol content. The CFD model is validated against experimental data in terms of pressure traces and heat release rate for both fuels under a wide range of operating conditions. The knock tendency—indicated by the fuel energy contained in the autoignited region—of the two fuels at different load conditions correlates well with the experimental results and the fuel octane sensitivity, implying the current knock modeling approach can capture the octane sensitivity effect and can be applied to further investigation on composition of octane sensitivity.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

A transported Livengood-Wu integral model for knock prediction in CFD simulation

This work describes the development of a transported Livengood-Wu (L-W) integral model for computational fluid dynamics (CFD) simulation to predict auto-ignition and engine knock tendency. The currently employed L-W integral model considers both single-stage and two-stage ignition processes, thus can be generally applied to different fuels such as paraffin, olefin, aromatics and alcohol. The model implementation is first validated in simulations of homogeneous charge compression ignition combustion for three different fuels, showing good accuracy in prediction of auto-ignition timing for fuels with either single-stage or two-stage ignition characteristics. Then, the L-W integral model is coupled with G-equation model to indicate end-gas auto-ignition and knock tendency in CFD simulations of a direct injection spark ignition engine. This modeling approach is about 10 times more efficient than the ones that based on detailed chemistry calculation and pressure oscillation analysis. Two fuels with same Research Octane Number (RON) but different octane sensitivity are studied, namely Co-Optima Alkylate and Co-Optima E30. Feed-forward neural network model in conjunction with multi-variable minimization technique is used to generate fuel surrogates with targets of matched RON, octane sensitivity and ethanol content. The CFD model is validated against experimental data in terms of pressure traces and heat release rate for both fuels under a wide range of operating conditions. The knock tendency indicated by the fuel energy contained in the auto-ignited region of the two fuels at different load conditions correlates well with the experimental results and the fuel octane sensitivity, implying the current knock modeling approach can capture the octane sensitivity effect and can be applied to further investigation on composition of octane sensitivity.

Yue, Zongyu↗
DOE OSTI2026

Integrated Security-Safety Consequence Study of a Heat Pipe Reactor

This report presents a preliminary demonstration of integrated security/safety consequence modeling to support potential physical security exemption justifications under the new Title 10 Code of Federal Regulations Part 53 licensing pathway, which allows exemptions if sabotage-induced radiological consequences do not exceed 25 rem at the site boundary two hours after release without mitigative actions. A hypothetical heat pipe microreactor subjected to direct sabotage by a 150 lbs. TNT-equivalent high-explosive device was analyzed using a simplified radionuclide release estimate based on DOE-HDBK-3010-94, implemented in the MELCOR severe accident analysis code to model release transport and attenuation through reactor/building compartments, with MELCOR outputs coupled to MACCS to compute offsite doses and the distance-to-threshold metric D 25rem . Six scenarios were evaluated to examine sensitivities to release pathway/building configuration and radionuclide form (vapor versus aerosols with different size distributions). Results show a positive correlation between leak path factor and D 25rem and indicate that reactor building compartmentalization can substantially reduce consequences (a single-story configuration reduced D 25rem by roughly an order of magnitude relative to a cavity-only configuration), while vapor versus aerosol assumptions had limited impact for the modeled two-story case on the spatial grid used.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2001

Investigation of Conjugate Heat Transfer in Turbine Blades and Vanes

We report on work carried out to develop a 3-D coupled Finite Volume/BEM-based temperature forward/flux back (TFFB) coupling algorithm to solve the conjugate heat transfer (CHT) which arises naturally in analysis of systems exposed to a convective environment. Here, heat conduction within a structure is coupled to heat transfer to the external fluid which is convecting heat into or out of the solid structure. There are two basic approaches to solving coupled fluid structural systems. The first is a direct coupling where the solution of the different fields is solved simultaneously in one large set of equations. The second approach is a loose coupling strategy where each set of field equations is solved to provide boundary conditions for the other. The equations are solved in turn until an iterated convergence criterion is met at the fluid-solid interface. The loose coupling strategy is particularly attractive when coupling auxiliary field equations to computational fluid dynamics codes. We adopt the latter method in which the BEM is used to solve heat conduction inside a structure which is exposed to a convective field which in turn is resolved by solving the NASA Glenn compressible Navier-Stokes finite volume code Glenn-HT. The BEM code features constant and bi-linear discontinuous elements and an ILU-preconditioned GMRES iterative solver for the resulting non-symmetric algebraic set arising in the conduction solution. Interface of flux and temperature is enforced at the solid/fluid interface, and a radial-basis function scheme is used to interpolated information between the CFD and BEM surface grids. Additionally, relaxation is implemented in passing the fluxes from the conduction solution to the fluid solution. Results from a simple test example are reported.

Kassab, A. J.↗