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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

A Comparison of Perturbed Initial Conditions and Multiphysics Ensembles in a Severe Weather Episode in Spain

Ensembles of numerical model forecasts are of interest to operational early warning forecasters as the spread of the ensemble provides an indication of the uncertainty of the alerts, and the mean value is deemed to outperform the forecasts of the individual models. This paper explores two ensembles on a severe weather episode in Spain, aiming to ascertain the relative usefulness of each one. One ensemble uses sensible choices of physical parameterizations (precipitation microphysics, land surface physics, and cumulus physics) while the other follows a perturbed initial conditions approach. The results show that, depending on the parameterizations, large differences can be expected in terms of storm location, spatial structure of the precipitation field, and rain intensity. It is also found that the spread of the perturbed initial conditions ensemble is smaller than the dispersion due to physical parameterizations. This confirms that in severe weather situations operational forecasts should address moist physics deficiencies to realize the full benefits of the ensemble approach, in addition to optimizing initial conditions. The results also provide insights into differences in simulations arising from ensembles of weather models using several combinations of different physical parameterizations.

severe weather↗
DOE OSTI2022

The ICON-A model for direct QBO simulations on GPUs (version icon-cscs:baf28a514)

Abstract. Classical numerical models for the global atmosphere, as used for numerical weather forecasting or climate research, have been developed for conventional central processing unit (CPU) architectures. This hinders the employment of such models on current top-performing supercomputers, which achieve their computing power with hybrid architectures, mostly using graphics processing units (GPUs). Thus also scientific applications of such models are restricted to the lesser computer power of CPUs. Here we present the development of a GPU-enabled version of the ICON atmosphere model (ICON-A), motivated by a research project on the quasi-biennial oscillation (QBO), a global-scale wind oscillation in the equatorial stratosphere that depends on a broad spectrum of atmospheric waves, which originates from tropical deep convection. Resolving the relevant scales, from a few kilometers to the size of the globe, is a formidable computational problem, which can only be realized now on top-performing supercomputers. This motivated porting ICON-A, in the specific configuration needed for the research project, in a first step to the GPU architecture of the Piz Daint computer at the Swiss National Supercomputing Centre and in a second step to the JUWELS Booster computer at the Forschungszentrum Jülich. On Piz Daint, the ported code achieves a single-node GPU vs. CPU speedup factor of 6.4 and allows for global experiments at a horizontal resolution of 5 km on 1024 computing nodes with 1 GPU per node with a turnover of 48 simulated days per day. On JUWELS Booster, the more modern hardware in combination with an upgraded code base allows for simulations at the same resolution on 128 computing nodes with 4 GPUs per node and a turnover of 133 simulated days per day. Additionally, the code still remains functional on CPUs, as is demonstrated by additional experiments on the Levante compute system at the German Climate Computing Center. While the application shows good weak scaling over the tested 16-fold increase in grid size and node count, making also higher resolved global simulations possible, the strong scaling on GPUs is relatively poor, which limits the options to increase turnover with more nodes. Initial experiments demonstrate that the ICON-A model can simulate downward-propagating QBO jets, which are driven by wave–mean flow interaction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

RESOLVING THE ELECTROCHEMICAL EQUATIONS OF A SOLID OXIDE FUEL CELL FOR USE IN TRANSIENT SIMULATION AND INTEGRATION INTO CYBER-PHYSICAL SYSTEMS

A major challenge with complex cyber-physical systems stems from long model computational time that creates a mismatch between the model system and the physical system. The numerical modeling of solid oxide fuel cells (SOFCs) presents particular challenges due to the highly coupled nature of the underlying equations and the multiphysics needed to fully resolve their behavior during a transient event. To this end current approaches revolve around splitting the computational efforts into resolving temperature effects and resolving electrochemical effects. Current methods employed for the transient simulation of an SOFC for implementation in the Hybrid Performance (HyPer) facility cyberphysical plant at the National Energy Technology Laboratory reveal a distinct need for accelerated results with a high degree of stability. To this aim, an investigation into the computational time for the code reveals that the underlying electrochemical algorithm takes an order of magnitude more time than its thermal counterpart and has a tendency to vary in terms of iteration time and as such a rework of the underlying system is proposed. The primary method for accelerated electrochemical algorithm solutions is to employ higher order root finding recipes for the resolution of the highly coupled electrochemical equations. This is done with the intention to reduce the overall number of subiterations necessary for resolving voltage, current density, and species concentration, properties of the fuel cell that are all directly coupled and require nested iterative approaches. The overall objective of this approach is an order of magnitude reduction in calculation time without sacrificing stability and increasing accuracy. Specific approaches involve using both bounded and unbounded techniques, such as the False Position method and the Secant method (or if applicable Newton-Raphson) respectively, the drawbacks being slower convergence for False Position and instability for the Secant or Newton-Raphson methods. Current preliminary results on simplified versions of the parent functions involved for electrochemical calculations indicate a reduction in computational steps by a factor of two for the secant method and a factor of three for Newton-Raphson. When implemented into new modified electrochemical algorithms, the results indicate a possible order of magnitude reduction in calculation time.

Arias, Jesus↗
DOE OSTI2020

Shock‐tube spectroscopic water measurements and detailed kinetics modeling of 1‐pentene and 3‐methyl‐1‐butene

Abstract To understand the effects of the chemical structure of two C 5 alkene isomers on their combustion properties, and to highlight the major chemical reactions occurring during their high‐temperature oxidation, water time histories were measured behind reflected shock waves for the oxidation of 1‐pentene (C 5 H 10 ‐1) and 3‐methyl‐1‐butene (3M1B) in 99.5% Ar. The experiments were carried out at three different equivalence ratios ( φ = 0.5, 1.0, and 2.0) at pressures and temperatures ranging from 1.29 to 1.47 atm and 1 331 to 1 877 K, respectively. The H 2 O quantification extends the database for 1‐pentene and provides new insights for 3M1B. These unique results were used to validate and to develop a new detailed kinetics model. Numerical predictions are presented, and the new model was able to capture the results with suitable accuracy, with 3M1B being notably more reactive than C 5 H 10 ‐1. Sensitivity and rate‐of‐production analyses were performed to help explain the results. Under the present conditions, the reactivity is rapidly initiated by molecular dissociation of a fraction of the pentene isomers. The initiation phase then induces H‐atom abstraction by active radicals (H, OH, O, HO 2 , and CH 3 ) to first produce alkenyl C 5 H 9 radicals (or an alkyl radical and an alkenyl radical by breaking a C─C bond) and subsequent, smaller fragments. The difference in terms of reactivity between the isomers is essentially due to the fact that 3M1B has one particularly weak tertiary allylic C─H bond, which allows for fast H‐atom abstraction compared with 1‐pentene.

Grégoire, Claire M.↗
DOE OSTI2020

Predicting the potential for mineral scale precipitation in unconventional reservoirs due to fluid-rock and fluid mixing geochemical reactions

Mineral precipitation within hydraulically fractured shale may affect fluid flow pathways and impact longterm hydrocarbon production. The ability to predict geochemical reactions that lead to problematic mineral precipitation will lead to active reservoir management strategies to improve overall production. Using the Marcellus Shale as a case study, a combination of laboratory experiments and reaction path modeling was applied to determine which reactions are likely to occur upon introduction of hydraulic fracturing fluid into the shale reservoir. Experimental results indicate that contact between fracturing fluid and shale will result in dissolution of primary minerals (quartz, feldspars, kaolinite, chlorite, pyrite) and secondary mineral precipitation over time periods of less than one week. Precipitation of barite, Fe-oxides, feldspars, amorphous silica and clay is likely to occur within the reservoir during shut in and early flowback due to mixing between fracturing fluid and reservoir brine as based on modeling saturation indices using experimental fluid data. Reaction path modeling of the experimental scenarios corroborates the specific dissolution and precipitation reactions observed experimentally. Comparison of the results to injected and produced waters from a Marcellus Shale well pad in Greene County, PA, USA, shows that the mineral reactions occur during the hydraulic fracturing, shut in, and early flowback periods. The results presented in this paper demonstrate the value in applying experimental approaches to identify mineral precipitation/dissolution reactions that may significantly impact reservoir performance. The good agreement between geochemical models and experimental results provides confidence that numerical models can be applied to screen the potential fluid-mineral and fluid-mixing reactions in unconventional reservoirs that result in undesired mineral scale precipitation.

58 GEOSCIENCES↗
DOE OSTI2025

A theoretical model for sheath dynamics in the two-plasma mode of a cylindrical filament discharge

We present a refined understanding of cylindrical plasma-facing emitter cathodes by examining the limitations of the conventional space charge limited model, which overlooks ion trapping dynamics within the virtual cathode. While conventional theory distinguishes between temperature-limited and space charge limited regimes based on electron current constraints, our findings reveal that trapped ions can form a quasi-neutral “second plasma,” expanding upstream and interacting with the primary plasma. In cylindrical and other non-planar geometries, an expanding trapped-ions layer produces current enhancement by converting more of the emitted electron flux to passing flux. The current enhancement leads to a complex coupling between the trapped-ions plasma and upstream plasma through ionizing collisions in the upstream region and charge exchange collisions in the virtual cathode. The coupling results in mutual density enhancement and at the same time, antagonistic expansion dynamics between the two plasma layers. The process is understood using a new “aid-compete” model. Numerical solutions, validated against simulations, reveal the model's capacity to predict system evolution and complex discharge behaviors, albeit with qualitative approximations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Hybrid Parameter Search and Dynamic Model Selection for Mixed-Variable Bayesian Optimization

Herein this article presents a new type of hybrid model for Bayesian optimization (BO) adept at managing mixed variables, encompassing both quantitative (continuous and integer) and qualitative (categorical) types. Our proposed new hybrid models (named hybridM) merge the Monte Carlo Tree Search structure (MCTS) for categorical variables with Gaussian Processes (GP) for continuous ones. hybridM leverages the upper confidence bound tree search (UCTS) for MCTS strategy, showcasing the tree architecture’s integration into Bayesian optimization. Our innovations, including dynamic online kernel selection in the surrogate modeling phase and a unique UCTS search strategy, position our hybrid models as an advancement in mixed-variable surrogate models. Numerical experiments underscore the superiority of hybrid models, highlighting their potential in Bayesian optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Harmonic Modeling, Data Generation and Analysis of Power Electronics-Interfaced Residential Loads

The share of electronics-based residential load is expected to rise as devices such as variable frequency drives (VFDs), electric vehicle chargers, and inverter-based distributed energy resources (DERs), e.g., photovoltaic (PV) systems become more common. These loads may introduce significant harmonics into power networks that need to be closely studied in order to perform accurate load modeling and forecasting. However, it can be difficult to obtain harmonic-rich voltage and current data - necessary for identifying accurate load models - for residential electrical loads. Recognizing this need, we identify and model a set of electronics-based end-use loads and DERs in an electromagnetic transients program (EMTP) tool for a residence with a single- phase split-phase supply. Further, a procedure is developed to model harmonic interactions between end-use loads connected to the same non-ideal supply voltage in a residential setting. Finally, a harmonic-rich dataset produced via the proposed procedure is utilized to identify frequency coupling matrix (FCM) based load model. Numerical results demonstrate the accuracy of the model, and explore model identifiability with limited data points.

harmonics, power quality, load modeling↗
DOE OSTI2021

Mechanical Comparison of Short Models of Nb$_3$ Sn Low-$\beta$ Quadrupole for the Hi-Lumi LHC

MQXF is the Nb 3 Sn Low-β quadrupole magnet that the HL-LHC project is planning to install in the LHC interaction regions in 2026 to increase the LHC integrated luminosity. The magnet will be fabricated in two different lengths: 4.2 m for MQXFA, built in the US by the Accelerator Upgrade Project (AUP), and 7.15 m for MQXFB, fabricated by CERN. In order to qualify the magnet design and characterize its performance with different conductors, cable geometries and pre-load configurations, five short model magnets, called MQXFS, were fabricated, assembled and tested. We compare the mechanical behavior of short model magnets using experimental data and new numerical models that take into account the measured coil sizes as a function of position.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

A Comparison of Interface Growth Models Applied to Rayleigh–Taylor and Richtmyer–Meshkov Instabilities

Sophisticated numerical models that contain fluid interfaces rely upon interface evolution models to approximate the transition to turbulence near interfaces, in the presence of Rayleigh–Taylor (RTI) or Richtmyer–Meshkov (RMI) instability. Semi-analytical models have been developed in recent decades to predict the interface growth from an initial state into the nonlinear regime. Two of these models are considered in this study. They are the Goncharov and the z-models. Both of these interface models have strengths and weaknesses, which are examined here. Both of them have been implemented in the xRAGE compressible flow solver, which models fluid interfaces. The flow solver provides the fluids acceleration as a body force to the interface model. The purpose of such interface model is to evolve the early times of interface position as a subgrid model within a compressible flow simulation in order to then initialize a turbulence model. In this work, the interface models are assessed and compared for their evolution of RTI and RMI. The z-model performed better than the Goncharov model for all cases that were explored.

42 ENGINEERING↗
NASA NTRS1980

Validation Methods Research for Fault-Tolerant Avionics and Control Systems Sub-Working Group Meeting. CARE 3 peer review

A computer aided reliability estimation procedure (CARE 3), developed to model the behavior of ultrareliable systems required by flight-critical avionics and control systems, is evaluated. The mathematical models, numerical method, and fault-tolerant architecture modeling requirements are examined, and the testing and characterization procedures are discussed. Recommendations aimed at enhancing CARE 3 are presented; in particular, the need for a better exposition of the method and the user interface is emphasized.

Trivedi, K. S.↗
NASA NTRS1985

A model for the CI (609 micron) emission of Orion

A numerical model energy balance and chemical equilibrium in the photodissociation regions at the edge of molecular clouds is presented. The model is used to calculate the emergent intensities of the following fine-structure lines: OI (at 63, 145 microns); CI (at 609, 370 microns); C II (at 158 microns); and the low-lying rotational transitions of CO. It is shown that column densities in the range 2 x 10 to the 17th to 2 x 10 to the 18th per sq cm can be obtained for the C(+)/C/CO transition region at the edges of molecular clouds. The difference in the column densities is attributed to changes in the charge exchange reactions of C(+) with SiO and S, and to the process of carbon self-healing. It is found that the calculations are in good agreement with the observed conditions in the photodissociation regions behind Orion (1) C Ori, and near the surface of OMC 1.

Tielens, A. G. G. M.↗
NASA NTRS1985

The SO2 atmosphere and ionosphere of Io - Ion chemistry, atmospheric escape, and models corresponding to the Pioneer 10 radio occultation measurements

Some numerical models of the SO2 atmosphere and ionosphere of Io at the time of the Pioneer 10 fly-by are calculated. It is shown that the formation of the observed ionosphere in the downstream direction may have required the precipitation of electrons, and that solar EUV radiation alone cannot account for it. In a comparison with Pioneer 10 radio occultation measurements, an electron impact in the range 500-800 eV was found to agree with Pioneer 10 radio occultation data for a SO2 atmosphere with a surface density of 4 x 10 to the 10th per cu cm. The relatively narrow energy range and flux required for incident electrons suggests that a fraction of a torus plasma compresses the ionosphere. It is pointed out on the basis of the model calculations that a weak magnetic field may be associated with Io.

Kumar, S.↗
NASA NTRS1988

Heat transfer in gas turbine engines and three-dimensional flows; Proceedings of the Symposium, ASME Winter Annual Meeting, Chicago, IL, Nov. 27-Dec. 2, 1988

The present conference on heat transfer characteristics of gas turbines and three-dimensional flows discusses velocity-temperature fluctuation correlations at the flow stagnation flow of a circular cylinder in turbulent flow, heat transfer across turbulent boundary layers with pressure gradients, the effect of jet grid turbulence on boundary layer heat transfer, and heat transfer characteristics predictions for discrete-hole film cooling. Also discussed are local heat transfer in internally cooled turbine airfoil leading edges, secondary flows in vane cascades and curved ducts, three-dimensional numerical modeling in gas turbine coal combustor design, numerical and experimental results for tube-fin heat exchanger airflow and heating characteristics, and the computation of external hypersonic three-dimensional flow field and heat transfer characteristics.

Elovic, E.↗
NASA NTRS1991

DC and small-signal physical models for the AlGaAs/GaAs high electron mobility transistor

Analytical and numerical models are developed for the microwave small-signal performance, such as transconductance, gate-to-source capacitance, current gain cut-off frequency and the optimum cut-off frequency of the AlGaAs/GaAs High Electron Mobility Transistor (HEMT), in both normal and compressed transconductance regions. The validated I-V characteristics and the small-signal performances of four HeMT's are presented.

Sarker, J. C.↗
NASA NTRS1997

Modeling of Thermal Field in 'Contactless' Physical Vapor Transport

A numerical model of the thermal field in the furnace-ampoule system developed for the 'contactless' Physical Vapor Transport growth geometry is presented. The model is used to assess the effect of the system geometry and growth parameters on the conditions of 'contactless' growth of cadmium telluride crystals.

Palosz, W.↗
NASA NTRS2004

The COR1 Inner Coronagraph for STEREO-SECCHI

The Solar Terrestrial Relations Observatory (STEREO) is a pair of identical satellites that will orbit the Sun so as to drift ahead of and behind Earth respectively, to give a stereo view of the Sun. STEREO is currently scheduled for launch in November 2005. One of the instrument packages that will be own on each of the STEREO spacecrafts is the Sun Earth Connection Coronal and Heliospheric Investigation (SECCHI), which consists of an extreme ultraviolet imager, two coronagraphs, and two side-viewing heliospheric imagers to observe solar coronal mass ejections all the way from the Sun to Earth. We report here on the inner coronagraph, labeled COR1. COR1 is a classic Lyot internally occulting refractive coronagraph, adapted for the first time to be used in space. The field of view is from 1.3 to 4 solar radii. A linear polarizer is used to suppress scattered light, and to extract the polarized brightness signal from the solar corona. The optical scattering performance of the coronagraph was first modeled using both the ASAP and APART numerical modeling codes, and then tested at the Vacuum Tunnel Facility at the National Center for Atmospheric Research in Boulder, Colorado. In this report, we will focus on the COR1 optical design, the predicted optical performance, and the observed performance in the lab. We will also discuss the mechanical and thermal design, and the cleanliness requirements needed to achieve the optical performance.

Thompson, William T.↗
NASA NTRS2004

Advanced Computational Modeling of Vapor Deposition in a High-pressure Reactor

In search of novel approaches to produce new materials for electro-optic technologies, advances have been achieved in the development of computer models for vapor deposition reactors in space. Numerical simulations are invaluable tools for costly and difficult processes, such as those experiments designed for high pressures and microgravity conditions. Indium nitride is a candidate compound for high-speed laser and photo diodes for optical communication system, as well as for semiconductor lasers operating into the blue and ultraviolet regions. But InN and other nitride compounds exhibit large thermal decomposition at its optimum growth temperature. In addition, epitaxy at lower temperatures and subatmospheric pressures incorporates indium droplets into the InN films. However, surface stabilization data indicate that InN could be grown at 900 K in high nitrogen pressures, and microgravity could provide laminar flow conditions. Numerical models for chemical vapor deposition have been developed, coupling complex chemical kinetics with fluid dynamic properties.

Cardelino, Beatriz H.↗