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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 451 records · Page 25

Accelerated Simulation of Air Pollution Using NVIDIA RAPIDS

Atmospheric chemistry models are a central tool to study and forecast the impact of air pollution on the environment, vegetation, and human health. However, the numerical simulation of chemical kinetics is computationally expensive due to the stiffness of the system of ordinary differential equations that describes atmospheric chemistry. Here we present an alternative approach to the computation of atmospheric chemistry based on machine learning. Our training data set is produced using the NASA Goddard Earth Observing System (GEOS) model with GEOS-Chem chemistry, run on the NASA Center for Climate Simulation (NCCS) Discover supercomputing cluster on 384 Intel Xeon Haswell cores. This model spends more than 50% of total run time on solving atmospheric chemistry. The data set contains as input features the air pollution concentrations before solving the differential equations, together with some key physical parameters such as temperature and sun intensity. As target variables we define the air pollution concentrations after solving the differential equations. Using Dask-cuDF and Dask-XGBoost on the NVIDIA RAPIDS platform on 8 Tesla V100 GPUs, we generate from this training set gradient boosted decision tree models that can reproduce the simulation of chemical kinetics. We do this on the NCCS Advanced Data Analytics Platform (ADAPT) science cloud environment. Our application takes full advantage of recent advances in Dask-XGBoost, such as multi-node and multi-GPU scaling for distributed training with large data sets. The increase in training data size enabled by this is critical to capture the full range of chemical environments encountered across the globe and all annual seasons.The boosted tree models offer good predictability and show many of the features of the full chemistry reference simulation. Further improvements can be achieved through mass balance considerations and by accounting for error correlations. We incorporate the boosted tree models into the GEOS reference model using XGBoost's C API. This enables a seamless integration of the GPU trained models into GEOS-Chem, which is written in Fortran and optimized for use in a massively parallel CPU environment. We show the benefits of this approach and discuss the potential speedup of this machine learning accelerated atmospheric chemistry model.

Keller, Christoph A.↗

An Initial Study of the Sensitivity of Aircraft Vortex Spacing System (AVOSS) Spacing Sensitivity to Weather and Configuration Input Parameters

A study has been performed on a computer code modeling an aircraft wake vortex spacing system during final approach. This code represents an initial engineering model of a system to calculate reduced approach separation criteria needed to increase airport productivity. This report evaluates model sensitivity toward various weather conditions (crosswind, crosswind variance, turbulent kinetic energy, and thermal gradient), code configurations (approach corridor option, and wake demise definition), and post-processing techniques (rounding of provided spacing values, and controller time variance).

Riddick, Stephen E.↗

A model for the kinetics of a solar-pumped long path laser experiment

A kinetic model for a solar-simulator pumped iodine laser system is developed and compared to an experiment in which the solar simulator output is dispersed over a large active volume (150 cu cm) with low simulator light intensity (approx. 200 solar constants). A trace foreign gas which quenches the upper level is introduced into the model. Furthermore, a constant representing optical absorption of the stimulated emission is introduced, in addition to a constant representing the scattering at each of the mirrors, via the optical cavity time constant. The non-uniform heating of the gas is treated as well as the pressure change as a function of time within the cavity. With these new phenomena introduced into the kinetic model, a best reasonable fit to the experimental data is found by adjusting the reaction rate coefficients within the range of known uncertainty by numerical methods giving a new bound within this range of uncertainty. The experimental parameters modeled are the lasing time, laser pulse energy, and time to laser threshold.

Stock, L. V.↗

Chemical vapor deposition modeling for high temperature materials

The formalism for the accurate modeling of chemical vapor deposition (CVD) processes has matured based on the well established principles of transport phenomena and chemical kinetics in the gas phase and on surfaces. The utility and limitations of such models are discussed in practical applications for high temperature structural materials. Attention is drawn to the complexities and uncertainties in chemical kinetics. Traditional approaches based on only equilibrium thermochemistry and/or transport phenomena are defended as useful tools, within their validity, for engineering purposes. The role of modeling is discussed within the context of establishing the link between CVD process parameters and material microstructures/properties. It is argued that CVD modeling is an essential part of designing CVD equipment and controlling/optimizing CVD processes for the production and/or coating of high performance structural materials.

Goekoglu, Sueleyman↗

Chemical vapor deposition modeling for high temperature materials

The formalism for the accurate modeling of chemical vapor deposition (CVD) processes has matured based on the well established principles of transport phenomena and chemical kinetics in the gas phase and on surfaces. The utility and limitations of such models are discussed in practical applications for high temperature structural materials. Attention is drawn to the complexities and uncertainties in chemical kinetics. Traditional approaches based on only equilibrium thermochemistry and/or transport phenomena are defended as useful tools, within their validity, for engineering purposes. The role of modeling is discussed within the context of establishing the link between CVD process parameters and material microstructures/properties. It is argued that CVD modeling is an essential part of designing CVD equipment and controlling/optimizing CVD processes for the production and/or coating of high performance structural materials.

Gokoglu, Suleyman A.↗

Applicability of a diffusion model to lateral transport in the terrestrial and lunar exospheres.

Kinetic theory is used to determine a series expansion of the vertical flux of particles in an exosphere in terms of time and space derivatives of particle concentration, exobase velocity, and temperature. For sufficiently large scale variations of these parameters in time and space, the series can be truncated to a form that is similar to a diffusion equation. Owing to this analogy, it is possible to unite the mathematical description of molecular diffusion, which governs thermospheric flow, and the corresponding exospheric equation by using effective transport coefficients which change smoothly with altitude through the transition from thermosphere to exosphere. A new definition of the exobase for lateral flow emerges from the analogy of exospheric and thermospheric diffusion, as the altitude where the horizontal mean free path length equals the mean horizontal extent of ballistic trajectories of the transported gas, as opposed to the scale height of the dominant gas which determines the exobase for escape. It is shown that the approximation of exospheric lateral flow as a diffusion process is applicable to global scale problems concerning terrestrial helium and heavier gases, and lunar gases heavier than helium.

Hodges, R. R., Jr.↗

Cloud-generated radiative heating and its generation of available potential energy

The generation of zonal available potential energy (APE) by cloud radiative heating is discussed. The APE concept was mathematically formulated by Lorenz (1955) as a measure of the maximum amount of total potential energy that is available for conversion by adiabatic processes to kinetic energy. The rate of change of APE is the rate of the generation of APE minus the rate of conversion between potential and kinetic energy. By radiative transfer calculations, a mean cloud-generated radiative heating for a well defined set of cloud classes is derived as a function of cloud optical thickness. The formulation is suitable for using a general cloud parameter data set and has the advantage of taking into account nonlinearities between the microphysical and macrophysical cloud properties and the related radiation field.

Stuhlmann, R.↗

Deformation effects of droplet fluctuations on dynamics in an Ising ferromagnetic state

Deformation effects of droplet fluctuations on the dynamics in an Ising ferromagnetic state in two dimensions are studied in the case of an order-parameter-nonconserving system by investigating an equation of motion for a domain boundary. Analytic and numerical studies show that the deformation effects on the survival probability of the droplets simply result in changing the time scale or renormalizing a kinetic coefficient.

Nakanishi, Hiizu↗

Analysis of cyclotron harmonic emissions at the outer planets

The flyby missions of Voyagers 1 and 2 at Jupiter, Saturn and Uranus revealed intense waves above the electron gyrofrequency. Observation of waves at the upper hybrid frequency is often accompanied by power at adjacent electron Bernstein harmonics, and the relative power in these modes depends both on the density and temperature ratios of the cold background electron population and the hot magnetospheric electrons which drive the instability. A model of electron distributions which is consistent with observations is used for analysis of the excited waves, their dependence upon plasma parameters, and the time scales of the saturation processes. It is shown that in the presence of two-temperature electron distributions the linear excitation is due to a fluidlike coupling of two eigenmodes for perpendicular propagation and to kinetic destalization of oblique modes. The dependence of linear growth rates on propagation angle is presented, along with results from particle simulations. A quasi-linear diffusion time for relaxing the hot electron loss cone is calculated and compared with simulation results. This time scale is faster than for local saturation by heating the cold population, and also the convective amplification time scale, suggesting that the waves saturate at quasi-linear levels, while being convectively localized to the equatorial regions of the outer planetary magnetospheres.

Roth, I.↗

Broadband Observations and Modeling of the Shell-Type Supernova Remnant G347.3-0.5

The supernova remnant G347.3-0.5 emits a featureless power law in X-rays, thought to indicate shock acceleration of electrons to high energies. We here produce a broadband spectrum of the bright northwest limb of this source by combining radio observations from the Australia Telescope Compact Array (ATCA), X-ray observations from the Advanced Satellite for Cosmology and Astrophysics (ASCA), and TeV gamma-ray observations from the CANGAROO imaging Cerenkov telescope. We assume that this emission is produced by an electron population generated by diffusive shock acceleration at the remnant forward shock. The nonlinear aspects of the particle acceleration force a connection between the widely different wavelength bands and between the electrons and the unseen ions, presumably accelerated simultaneously with the electrons. This allows us to infer the relativistic proton spectrum and estimate ambient parameters such as the supernova explosion energy, magnetic field, matter density in the emission region, and efficiency of the shock acceleration process. We find convincing evidence that the shock acceleration is efficient, placing greater than 25% of the shock kinetic energy flux into relativistic ions. Despite this high efficiency, the maximum electron and proton energies, while depending somewhat on assumptions for the compression of the magnetic field in the shock, are well below the observed 'knee' at 10(exp 15) eV in the Galactic cosmic-ray spectrum.

Ellison, Donald C.↗

Shock propagation and the generation of magnetohydrodynamic wave fields in inhomogeneous molecular clouds

We develop a simple one-dimensional model for the interaction of a steady, thin, planar shock wave with a nonrigid cloud which may be in motion relative to the surrounding medium, and we apply the model to shocks impinging on, and propagating through, molecular clouds. Both 'adiabatic' (gamma = 5/3) and radiative (gamma = 1) shocks are considered and we allow for the presence of a uniform magnetic field directed either parallel or perpendicular to the shock normal. The former field orientation is equivalent to the hydrodynamic case, and the latter involves only fast MHD shocks. We focus on the manner in which such shocks can generate internal kinetic motions in the cloud on a range of size and density scales through the direct acceleration of cores and clumps by shocks transmitted into them and through the generation of an MHD wavefield via the reflection of the incident shock at clump boundaries. We find that stronger incident Mach numbers and smaller density contrasts lead to more efficient cloud acceleration, as do isothermal intercloud shocks and small intercloud magnetic field strengths. The acceleration efficiency is insensitive to the adiabatic index and the magnetic field strength in the cloud itself. For typical parameter choices, the direct acceleration of clouds and clumps by strong shocks is found to be substantial and could at least in part account for their observed velocity dispersions. If the shocks are moderately weak, the final velocity of the cloud is linearly related to its initial velocity, with higher acceleration giving shallower slopes (i.e., final velocity distributions which are less sensitive to the initial distribution). Compared to the kinetic energy of the postshock cloud, the energy given to the wavefield at each encounter is small, and the heating of the interclump medium by the dissipation of this wavefield is found to be insufficient to balance the cooling rate in the cloud as a whole (although it may be important in particular regions), even if this medium is warm, unless it is also extremely tenuous (n approximately less than 0.1/cu cm). Nevertheless, the correction for the velocity imparted to the cloud leads to a substantial increase in the critical incident Mach numner for wave emission over that reported by Spitzer for the rigid case. The implications of our model for shock-induced star formation are discussed briefly.

Miesch, Mark S.↗

Inverse energy cascades in three-dimensional turbulence

Fully three-dimensional magnetohydrodynamic (MHD) turbulence at large kinetic and low magnetic Reynolds numbers is considered in the presence of a strong uniform magnetic field. It is shown by numerical simulation of a model of MHD that the energy inverse cascades to longer length scales when the interaction parameter is large. While the steady-state dynamics of the driven problem is three-dimensional in character, the behavior has resemblance to two-dimensional hydrodynamics. These results have implications in turbulence theory, MHD power generator, planetary dynamos, and fusion reactor blanket design.

Hossain, Murshed↗

Simulation of Vacuum Chamber Pressure Distribution with Surrogate Modeling and Uncertainty Quantification

A major challenge in understanding differences in electric propulsion performance in ground tests and in space operations concerns the pressure distribution within the test vacuum chamber. The chamber backpressure is much higher than experienced in space, modifying thruster performance and plume dynamics. Numerical simulation is a key element to determining the background conditions in non-ideal vacuum chamber environments. An important parameter for the accurate simulation of chamber backpressure is the probability that an atom will stick to a cryogenic panel used to pump away the plume gases. This quantity can be used to model vacuum pumps in particle-based kinetic numerical methods. In this work, a three-dimensional direct simulation Monte Carlo code is used to model neutral xenon atoms flowing from the anode of the H9 Hall Effect Thruster within the University of Michigan’s Large Vacuum Test Facility. Simulated pressures are compared with ion gauge pressure measurements to infer the effective sticking coefficient of the chamber’s vacuum pumps. A pressure predicting surrogate model is developed for inference of pump sticking coefficients and for uncertainty quantification. This information enables accurate and useful kinetic simulations of electric propulsion thruster plasma plumes in vacuum chambers.

DSMC↗

Closed Loop Terminal Guidance Navigation for a Kinetic Impactor Spacecraft

A kinetic impactor spacecraft is a viable method to deflect an asteroid which poses a threat to the Earth. The technology to perform such a deflection has been demonstrated by the Deep Impact (DI) mission, which successfully collided with comet Tempel 1 in July 2005 using an onboard autonomous navigation system, called AutoNav, for the terminal phase of the mission. In this paper, we evaluate the ability of AutoNav to impact a wide range of scenarios that an deflection mission could encounter, varying parameters such as the approach velocity, phase angle, size of the asteroid, and the determination of spacecraft attitude. Using realistic Monte Carlo simulations, we tabulated the probability of success of the deflection as a function of these parameters, and the highest sensitivity to be due the spacecraft attitude determination mode. In addition, we also specifically analyzed the impact probability for a proposed mission which would send an impactor to the asteroid 1999RQ36. We conclude with some recommendations for future work.

closed loop guidance↗

Effect of structure on current and potential distributions in porous electrode

Porous electrodes generally contain constricted macropores and localized micropores. The effects of the macropore constrictions on the resistance of a capillary were studied and an analytical model was developed for predicting the current distribution in a constricted macropore which directly includes constriction effects and does not require an empirical tortuosity parameter. The current and concentration distributions in localized micropores were also investigated and it was shown that the microporous area is fully accessible to charge and mass transfer processes. From these analyses it was concluded that the micropores primarily affect the kinetics of the interfacial processes by contributing to the interfacial area, while the macropores impose ohmic and mass transport limitations through the volume of the porous electrode.

Lanzi, Oscar↗

Topological variation in the magnetic field line at the dayside magnetopause

This paper uses normal mode analysis to examine topological changes in magnetic field lines at the magnetopause. For a modified Harris sheet, the normal modes include a symmetric solution (tearing mode) and an antisymmetric solution (twisting mode). Both modes form flux ropes. The tearing mode in the presence of shear flow is studied. By modeling the external region plasma with drift kinetic formalism, the growth rate of the tearing mode is found to be reduced by shear flow. On the other hand, the shear flow generates a Kelvin-Helmholtz instability which makes the magnetic field perturbation a twisting mode structure. When magnetopause parameters are used, it is difficult to induce a tearing mode in the presence of shear flow, though a shear flow twisting mode did grow under these conditions.

Wang, Zhi↗

Fundamental mechanisms in premixed flame propagation via vortex-flame interactions: Numerical simulations

The goal of the present study is to assess numerically the ability of single-step and two-step chemical models to describe the main features encountered during the interaction between a two-dimensional vortex pair and a premixed laminar flame. In the two-step mechanism, the reaction kinetics are represented by a first chain branching reaction A + X yields 2X and a second chain termination reaction X + X yields P. This paper presents the fundamental mechanisms occurring during vortex-flame interactions and the relative impact of the major parameters encountered in turbulent premixed flames and suspected of playing a role in quenching mechanism: (1) Influence of stretch is investigated by analyzing the contribution of curvature and tangential strain on the local structure of the flame. The effect of Lewis number on the flame response to a strained field is analyzed. (2) Radiative heat losses which are suspected to be partially or totally responsible for quenching are also investigated. (3) The effect of the diffusion of the radicals is studied using a two-step mechanism in which an intermediate species is present. The parameters of the two-step mechanism are entirely determined from physical arguments. (4) Precise quantitative comparisons between the DNS and the experimental results of Samaniego et al are performed. These comparisons concern the evolution of the minimum heat release rate found along the flame front during the interaction and the distribution of the heat release rate along the flame front.

Mantel, Thierry↗

AMTEC system performance studies using the detailed electrode kinetic and transport model

A detailed electrochemical model of the alkali metal thermoelectric converter (AMTEC) electrode and current collector grid has been developed recently. Comparative evaluations of the resulting differences in model predictions reveal that the new detailed model predicts up to 50 percent higher electrode power densities at condenser operating temperatures above 600 K. The new model, with experimentally determined parameters, was used to recalculate the projected system performance of previously reported 1- and 100-kWe AMTEC space power systems that had incorporated earlier electrolyte/electrode models. It was found that when the detailed model was used to determine the electrode power densities, enhanced specific power and efficiencies are predicted.

Sievers, Robert K.↗