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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 109 records · Page 6

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NASA NTRS1984

Exponential-fitted methods for integrating stiff systems of ordinary differential equations: Applications to homogeneous gas-phase chemical kinetics

Conventional algorithms for the numerical integration of ordinary differential equations (ODEs) are based on the use of polynomial functions as interpolants. However, the exact solutions of stiff ODEs behave like decaying exponential functions, which are poorly approximated by polynomials. An obvious choice of interpolant are the exponential functions themselves, or their low-order diagonal Pade (rational function) approximants. A number of explicit, A-stable, integration algorithms were derived from the use of a three-parameter exponential function as interpolant, and their relationship to low-order, polynomial-based and rational-function-based implicit and explicit methods were shown by examining their low-order diagonal Pade approximants. A robust implicit formula was derived by exponential fitting the trapezoidal rule. Application of these algorithms to integration of the ODEs governing homogenous, gas-phase chemical kinetics was demonstrated in a developmental code CREK1D, which compares favorably with the Gear-Hindmarsh code LSODE in spite of the use of a primitive stepsize control strategy.

Pratt, D. T.↗

NASA NTRS1986

Implicit methods for computing chemically reacting flow

The backward Euler scheme was used to solve a large system of inviscid flow and chemical rate equations in three spatial coordinates. The flow equations were integrated simultaneously in time by a conventional ADI factorization technique, then the species equations were solved by either simultaneous or successive techniques. The methods were evaluated in their efficiency and robustness for a hypersonic flow problem involving an aerobrake configuration. It was found that both implicit methods can effectively reduce the stiffness associated with the chemical production term and that the successive solution for the species was as stable as the simultaneous solution. The latter method is more economical because the computation time varies linearly with the number of species.

Li, C. P.↗

NASA NTRS1981

Buckling and vibration of periodic lattice structures

Lattice booms and platforms composed of flexible members or large diameter rings which may be stiffened by cables in order to support membrane-like antennas or reflector surfaces are the main components of some large space structures. The nature of these structures, repetitive geometry with few different members, makes possible relatively simple solutions for buckling and vibration of a certain class of these structures. Each member is represented by a stiffness matrix derived from the exact solution of the beam column equation. This transcendental matrix gives the current member stiffness at any end load or frequency. Using conventional finite element techniques, equilibrium equations can be written involving displacements and rotations of a typical node and its neighbors. The assumptions of a simple trigonometric mode shape is found to satisfy these equations exactly; thus the entire problem is governed by just one 6 x 6 matrix equation involving the amplitude of the displacement and rotation mode shapes. The boundary conditions implied by this solution are simple supported ends for the column type configurations.

Anderson, M. S.↗

DOE OSTI2021

Equation-of-Motion Coupled-Cluster Cumulant Green’s Function for Excited States and X-ray Spectra

Green’s function methods within many-body perturbation theory provide a general framework for treating electronic correlations in excited states and spectra. Conventional methods using the Dyson equation or the cumulant expansion are typically based on the GW self-energy approximation. In order to extend this approximation in molecular systems, a non-perturbative real-time coupled-cluster cumulant Green’s function approach has been introduced, where the cumulant is obtained as the solution to a set of coupled first order, non-linear differential equations. This approach naturally includes non-linear corrections to conventional cumulant Green’s function techniques where the cumulant is linear in the GW self-energy. The method yields the spectral function associated with the core Green’s function, which is directly related to the x-ray photoemission spectra (XPS) of molecular systems. The approach also yields very good results for binding energies and satellite excitations. The x-ray absorption spectrum (XAS) is then obtained as a convolution of the core spectral function and an effective one-body absorption spectrum. Here this approach is extended to include the full coupled-cluster-singles (CCS) core Green’s function by including the complete form of the non-linear contributions to the cumulant as well as all single, double, and triple cluster excitations in the CC amplitude equations. This approach naturally builds in orthogonality and shake-up effects analogous to those in the Mahan-Noizeres-de Dominicis edge singularity corrections that enhance the XAS near the edge. Themethod is illustrated for the XPS and XAS of NH 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1978

Application of a trigonometric finite difference procedure to numerical analysis of compressive and shear buckling of orthotropic panels

A numerical analysis developed for the buckling of rectangular orthotropic layered panels under combined shear and compression is described. This analysis uses a central finite difference procedure based on trigonometric functions instead of using the conventional finite differences which are based on polynomial functions. Inasmuch as the buckle mode shape is usually trigonometric in nature, the analysis using trigonometric finite differences can be made to exhibit a much faster convergence rate than that using conventional differences. Also, the trigonometric finite difference procedure leads to difference equations having the same form as conventional finite differences; thereby allowing available conventional finite difference formulations to be converted readily to trigonometric form. For two-dimensional problems, the procedure introduces two numerical parameters into the analysis. Engineering approaches for the selection of these parameters are presented and the analysis procedure is demonstrated by application to several isotropic and orthotropic panel buckling problems. Among these problems is the shear buckling of stiffened isotropic and filamentary composite panels in which the stiffener is broken. Results indicate that a break may degrade the effect of the stiffener to the extent that the panel will not carry much more load than if the stiffener were absent.

Stein, M.↗

DOE OSTI2021

On the computational solution of vector-density based continuum dislocation dynamics models: A comparison of two plastic distortion and stress update algorithms

Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport gives rise to the evolution of plastic distortion (strain), while the evolution of the latter fixes the stress from which the dislocation velocity field is found via a mobility law. Earlier solutions of these equations employed a staggered solution scheme for the two sets of equations in which the plastic distortion was updated via time integration of its rate, as found from Orowan's law. In this work, we show that such a direct time integration scheme can suffer from accumulation of numerical errors. We introduce an alternative scheme based on field dislocation mechanics that ensures consistency between the plastic distortion and the dislocation content in the crystal. The new scheme is based on calculating the compatible and incompatible parts of the plastic distortion separately, and the incompatible part is calculated from the current dislocation density field. Stress field and dislocation transport calculations were implemented within a finite element based discretization of the governing equations, with the crystal mechanics part solved by a conventional Galerkin method and the dislocation transport equations by the least squares method. A simple test was first performed to show the accuracy of the two schemes for updating the plastic distortion, which shows that the solution method based on field dislocation mechanics is more accurate. This method then was used to simulate an austenitic steel crystal under uniaxial loading and multiple slip conditions. By considering dislocation interactions caused by junctions, a hardening rate similar to discrete dislocation dynamics simulation results was obtained. Finally, the simulations show that dislocations exhibit some self-organized structures as the strain is increased.

36 MATERIALS SCIENCE↗

NASA NTRS1981

A numerical evaluation of TIROS-N and NOAA-6 analyses in a high resolution limited area model

Vertical temperature profiles derived from TIROS-N and NOAA-6 radiance measurements were used to create separate analyses for the period 0000 GMT 6 January to 0000 GMT 7 January 1980. The 0000 GMT 6 January satellite analyses and a conventional analysis were used to initialize and run the University of Wisconsin's version of the Australian Region Primitive Equations model. Forecasts based on conventional analyses were used to evaluate the forecasts based only on satellite upper air data. The forecasts based only on TIROS-N or NOAA-6 data did reasonably well in locating the main trough and ridge positions. The satellite initial analyses and forecasts revealed errors correlated to the synoptic situation. The trough in both TIROS-N and NOAA-6 forecasts which was initially too warm remained too warm as it propagated eastward during the forecast period. Thus, it is unlikely that the operational satellite data will improve forecasts in a data dense region. However, in regions of poor data coverage, the satellite data should have a beneficial effect on numerical forecasts.

Derber, J. C.↗

DOE OSTI2026

Narrow operator models of stellarator equilibria in Fourier Zernike basis

Numerical computation of the ideal magnetohydrodynamic (MHD) equilibrium magnetic field is at the base of stellarator optimisation and provides the starting point for solving more sophisticated partial differential equations like transport or turbulence models. Conventional approaches solve for a single stationary point of the ideal MHD equations, which is fully defined by three invariants and the numerical scheme employed by the solver. We present the first numerical approach that can solve for a continuous distribution of equilibria with fixed boundary and rotational transform, varying only the pressure invariant. This approach minimises the force residual by optimising parameters of multilayer perceptrons that map from a scalar pressure multiplier to the Fourier Zernike basis as implemented in the modern stellarator equilibrium solver DESC.

fusion plasma↗

DOE OSTI2020

Equilibrium Thermodynamic Properties of Aqueous Solutions of Ionic Liquid 1-Ethyl-3-Methylimidazolium Methanesulfonate [EMIM][MeSO3]

Abstract The ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate ([EMIM][MeSO 3 ]) has been considered as a promising alternative desiccant to triethylene glycol and lithium bromide commonly used in the industry. In this paper, the water activity coefficient of this binary system was measured from 303 K to 363 K with water concentration from 18% to 92%. The interaction energies between the ionic liquid molecules ( $${g}_{22}$$ g 22 ) and between the ionic liquid and water molecules ( $${g}_{12}$$ g 12 ) for the [EMIM][MeSO 3 ]/water binary system were determined from the water activity coefficient data using the Non-Random Two-Liquid (NRTL) model. The magnitude of the interaction energy between the [EMIM][MeSO 3 ] and water molecules ( $${g}_{12}$$ g 12 ) was found to be in the range of 45~49 kJ/mol, which was about 20% larger than that between the water molecules ( $${g}_{11}$$ g 11 ) in the [EMIM][MeSO 3 ]/water system. The large ( $${g}_{12}$$ g 12 ) can explain many observed macroscopic thermodynamic properties such as strong hygroscopicity in the ionic liquid [EMIM][MeSO 3 ]. These interaction energies were used to determine the heat of desorption of the [EMIM][MeSO 3 ]/water system, and the obtained heat of desorption was in good agreement with that calculated from the conventional Clausius-Clapeyron Equation.

42 ENGINEERING↗

DOE OSTI2025

Notes on the non-dimensionalization of the MHD Boussinesq convection equations

The objective of these notes is to demonstrate that the formulation of the MHD Boussinesq convection equations that follows the conventions of the turbulence community used in our previous work is consistent and compatible with the formulation from the convection community used in Busse and Pesch.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1962

Measurement of Local Heat Transfer Coefficients for Flow of Hydrogen and Helium in a Smooth Tube at High Surface to Fluid Bulk Temperature Ratios

Local values of heat transfer coefficients have been measured experimentally for helium and hydrogen gas flowing through an electrically heated inconel tube. The experiment was conducted primarily to determine the effect on the heat transfer coefficient of a large density change, radially, in the heat transfer fluid. This large density change was accomplished with relatively high surface temperatures as compared to fluid bulk temperatures or more commonly referred to as high surface to fluid bulk temperature ratio. The large temperature ratio was achieved by precooling the gas with liquid nitrogen. Data were measured for local values of surface to fluid bulk temperature ratios up to 4.5, Reynolds numbers in the turbulent flow region, surface temperatures up to 2300° R, heat flux up to 1,600,000 Btu/(hr)(sq ft) and length to diameter ratio of 250. A comparison of this data with the conventional heat transfer· correlation equation (Dittus-Boelter eq.) is shown on a curve of Nusselt number divided by Prandtl number versus the Reynolds number. The gas properties were evaluated at the film temperature and the Reynolds number was modified by evaluating the velocity term at the fluid bulk temperature and the density at the film temperature.

Weiland, Walter F.↗

NASA NTRS1976

On differential transformations between Cartesian and curvilinear (geodetic) coordinates

Differential transformations are developed between Cartesian and curvilinear orthogonal coordinates. Only matrix algebra is used for the presentation of the basic concepts. After defining the reference systems used the rotation (R), metric (H), and Jacobian (J) matrices of the transformations between cartesian and curvilinear coordinate systems are introduced. A value of R as a function of H and J is presented. Likewise an analytical expression for J(-1) as a function of H(-2) and R is obtained. Emphasis is placed on showing that differential equations are equivalent to conventional similarity transformations. Scaling methods are discussed along with ellipsoidal coordinates. Differential transformations between elipsoidal and geodetic coordinates are established.

Soler, T.↗

NASA NTRS1981

Voyager measurement of the rotation period of Saturn's magnetic field

Saturn's radio rotation period was determined using measurements made by the planetary radio astronomy experiment onboard the Voyager spacecraft. The sidereal period deduced, 10 hr 39 min 24 sec ? 7 sec, is within the 10 hr to 11 hr range of optical periods derived from a century of atmospheric spot and Doppler spectroscopy observations. The radio rotation period is presumably that of the planet's magnetic field. A provisional Saturn longitude convention is proposed and equations are provided to compute a longitude ephemeris and to transform between the proposed system and the (10 hr 14 min) system used for the Pioneer 11/Saturn encounter. The degree of longitude smearing which could result over the long term from the merging of data sets organized in this system is evaluated. No evidence of control of the radio emission by any of Saturn's satellites was found.

Desch, M. D.↗

NASA NTRS1981

Voyager measurement of the rotation period of Saturn's magnetic field

Saturn's radio rotation period is determined using measurements made by the Planetary Radio Astronomy experiment onboard the Voyager spacecraft. The sidereal period deduced is 10 hr 39 min 24 sec + or 7 sec. The radio rotation period is presumably that of the planet's magnetic field. A provisional Saturn longitude convention is proposed, and equations are provided to compute a longitude emphemeris and to transform between the proposed system and the (10 hr 14 min) system used for the Pioneer 11/Saturn encounter. In addition, the degree of longitude smearing which could result over the long term from the merging of data sets organized in this system is evaluated. Finally, no evidence of control of the radio emission by any of Saturn's satellites is found.

Desch, M. D.↗

NASA NTRS1992

Numerical investigations in the backflow region of a vacuum plume

The objective of this research is to numerically simulate the vacuum plume flow field in the backflow region of a low thrust nozzle exit. In space applications, the low thrust nozzles are used as a propulsion device to control the vehicle attitude, or to maneuver the vehicle flight trajectory. When the spacecraft is deployed in the orbit or cruising in a planetary mission, the vacuum plume is created behind the nozzle exit (so called backflow region), by the exhausting gas of the propulsion system or by venting internal gas to the extremely low density ambient. The low density vacuum plume flow regions cover the continuum, transitional and free molecular flow regimes, which were characterized by the Knudsen number K(sub n), K(sub n) = lambda(sub m)/L where lambda(sub m) is the mean free path of the gas molecules and L is the characteristic length of the flow field. The transitional regime is defined by 0.01 is less than or equal to K(sub n) is less than or equal to 10. The conventional Navier-Stokes equations are valid only in the flow region close to the nozzle exit since the validity of the Navier-Stokes equations fails asymptotically as the Knudsen number increases. The vacuum plume characteristics prediction is primarily a problem of transitional aerodynamics.

Liaw, Goang-Shin↗

NASA NTRS2017

Partially Turboelectric Aircraft Drive Key Performance Parameters

The purpose of this paper is to propose electric drive specific power, electric drive efficiency, and electrical propulsion fraction as the key performance parameters for a partially turboelectric aircraft power system and to investigate their impact on the overall aircraft performance. Breguet range equations for a base conventional turbofan aircraft and a partially turboelectric aircraft are found. The benefits and costs that may result from the partially turboelectric system are enumerated. A break even analysis is conducted to find the minimum allowable electric drive specific power and efficiency, for a given electrical propulsion fraction, that can preserve the range, fuel weight, operating empty weight, and payload weight of the conventional aircraft. Current and future power system performance is compared to the required performance to determine the potential benefit.

turbogenerator↗

DOE OSTI2022

Online Machine Learning for Accelerating Molecular Dynamics Modeling of Cells

We developed a biomechanics-informed online learning framework to learn the dynamics with ground truth generated with multiscale modeling simulation. It was built on Summit-like supercomputers, which were also used to benchmark and validate our framework on one physiologically significant modeling of deformable biological cells. We generalized the century-old equation of Jeffery orbits to a new equation of motion with additional parameters to account for the flow conditions and the cell deformability. Using simulation data at particle-based resolutions for flowing cells and the learned parameters from our framework, we validated the new equation by the motions, mostly rotations, of a human platelet in shear blood flow at various shear stresses and platelet deformability. Our online framework, which surrogates redundant computations in the conventional multiscale modeling by solutions of our learned equation, accelerates the conventional modeling by three orders of magnitude without visible loss of accuracy.

multiscale modeling↗

NASA NTRS1977

Computer considerations for real time simulation of a generalized rotor model

Scaled equations were developed to meet requirements for real time computer simulation of the rotor system research aircraft. These equations form the basis for consideration of both digital and hybrid mechanization for real time simulation. For all digital simulation estimates of the required speed in terms of equivalent operations per second are developed based on the complexity of the equations and the required intergration frame rates. For both conventional hybrid simulation and hybrid simulation using time-shared analog elements the amount of required equipment is estimated along with a consideration of the dynamic errors. Conventional hybrid mechanization using analog simulation of those rotor equations which involve rotor-spin frequencies (this consititutes the bulk of the equations) requires too much analog equipment. Hybrid simulation using time-sharing techniques for the analog elements appears possible with a reasonable amount of analog equipment. All-digital simulation with affordable general-purpose computers is not possible because of speed limitations, but specially configured digital computers do have the required speed and consitute the recommended approach.

Howe, R. M.↗