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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations

Free energies play a central role in many descriptions of equilibrium and non-equilibrium properties of solids. Continuum partial differential equations (PDEs) of atomic transport, phase transformations and mechanics often rely on first and second derivatives of a free energy function. The stability, accuracy and robustness of numerical methods to solve these PDEs are sensitive to the particular functional representations of the free energy. In this communication we investigate the influence of different representations of thermodynamic data on phase field computations of diffusion and two-phase reactions in the solid state. First-principles statistical mechanics methods were used to generate realistic free energy data for HCP titanium with interstitially dissolved oxygen. While Redlich-Kister polynomials have formed the mainstay of thermodynamic descriptions of multi-component solids, they require high order terms to fit oscillations in chemical potentials around phase transitions. Here, we demonstrate that high fidelity fits to rapidly fluctuating free energy functions are obtained with spline functions. As a result, spline functions that are many degrees lower than Redlich-Kister polynomials provide equal or superior fits to chemical potential data and, when used in phase field computations, result in solution times approaching an order of magnitude speed up relative to the use of Redlich-Kister polynomials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Elucidating the Redox Behavior during Atomic Layer Deposition on Lithium-Ion Battery Cathode Materials

Atomic layer deposition (ALD) has emerged as a promising technology for applying ultrathin protective coatings on lithium-ion battery (LIB) cathode surfaces to improve their cycling stability. While there have been numerous reports evaluating the electrochemical performance of these surface-modified cathode materials, the chemical changes induced on the surface of the cathode materials upon ALD coating are not fully studied. This paper describes a systematic investigation to understand the interfacial changes of 12 different cathode materials upon coating with aluminum oxide (Al 2 O 3 ) using trimethyl aluminum (TMA) and H 2 O, and aluminum fluoride (AlF 3 ) using TMA and hydrogen fluoride pyridine (HFPy). Here, the surface composition of these cathode materials, which range from simple transition metal oxides (e.g. NiO and MnO) to complex multi-element cathode materials (e.g. LiNi x Mn 1-x-y Co y O 2 , NMC), was studied via X-ray photoelectron spectroscopy (XPS). The XPS measurements reveal that the transition metals in the cathode materials undergo selective oxidation/reduction depending upon the nature of the precursor, the coating, and the cathode material. The ability to chemically modify the surface of cathode materials via vapor-phase precursor adsorption will open new avenues to systematically control the interface of the cathode materials in LIBs that are not possible by conventional coating methods.

25 ENERGY STORAGE↗
DOE OSTI2014

Dynamics in a nonlinear Keynesian good market model

In this paper, we show how a rich variety of dynamical behaviors can emerge in the standard Keynesian income-expenditure model when a nonlinearity is introduced, both in the cases with and without endogenous government spending. A specific sigmoidal functional form is used for the adjustment mechanism of income with respect to the excess demand, in order to bound the income variation. With the aid of analytical and numerical tools, we investigate the stability conditions, bifurcations, as well as periodic and chaotic dynamics. Globally, we study multistability phenomena, i.e., the coexistence of different kinds of attractors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Boundary-layer receptivity to oblique freestream vorticity waves for a high-enthalpy hypersonic flow

The receptivity of a Mach 15 straight-cone boundary layer to oblique freestream vorticity waves is investigated using direct numerical simulation (DNS) alongside linear stability theory and the linear parabolized stability equations. A thermochemical nonequilibrium gas model is used. Oblique freestream vorticity waves at frequencies of 400, 800, and 1200 kHz are considered, with incident angles ranging from 0° to 29.4° at 400 kHz, 0° to 15.7° at 800 kHz, and 0° to 20.6° at 1200 kHz. The 400 kHz case is of primary interest due to the strong second-mode amplification at this frequency. Although the underlying base flow is axisymmetric, the oblique vorticity waves lead to a fully three-dimensional boundary-layer disturbance whose characteristics vary depending on the azimuthal ray relative to the freestream wave. Moving downstream within the second-mode instability region, some clear trends emerge in terms of the boundary-layer disturbance amplitudes; that is, disturbance amplitudes are highest at the leeward ray (relative to the freestream wave), but weakest about halfway between the windward and leeward rays. Increasing the incident angle causes the amplitudes to increase on the leeward ray and decrease on the windward ray. Moreover, the boundary-layer disturbance throughout contains a wide spectrum of azimuthal wavenumbers in which the disturbance energy falls off at higher wavenumbers. Increasing the incident angle causes the azimuthal spectrum of the boundary-layer disturbance to broaden overall. Qualitatively similar results are found for the two higher frequencies leading up to the peak-amplitude locations corresponding to the second-mode instability.

42 ENGINEERING↗
DOE OSTI2018

A method for measuring coupling coefficients between cores and corrections to mode propagation constants in multicore fibres

A new experimental method is proposed for reconstructing supermode profiles of a multicore fibre (MCF), small corrections to the propagation constants of its cores and coupling coefficients between the cores without phase-sensitive measurements. The method is based on intensity measurements in the cores at the output of several MCF segments differing in length, using several configurations of controlled light launch into the cores at the fibre input (in the simplest case, by sequentially exciting each core), followed by numerical treatment using an iterative algorithm. The use of the method is demonstrated experimentally for a seven-core fibre. Using numerical simulation, we assess the stability of the method and the effect of the number of measurements on the accuracy of fibre parameter reconstruction. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

To theory of asymptotically stable accelerating Universe in Riemann-Cartan spacetime

Homogeneous isotropic cosmological models built in the framework of the Poincar'e gauge theory of gravity based on general expression of gravitational Lagrangian with indefinite parameters are analyzed. Special points of cosmological solutions for flat cosmological models at asymptotics and conditions of their stability in dependence of indefinite parameters are found. Procedure of numerical integration of the system of gravitational equations at asymptotics is considered. Numerical solution for accelerating Universe without dark energy is obtained.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Generalization of mixed multiscale finite element methods with applications

Many science and engineering problems exhibit scale disparity and high contrast. The small scale features cannot be omitted in the physical models because they can affect the macroscopic behavior of the problems. However, resolving all the scales in these problems can be prohibitively expensive. As a consequence, some types of model reduction techniques are required to design efficient solution algorithms. For practical purpose, we are interested in mixed finite element problems as they produce solutions with certain conservative properties. Existing multiscale methods for such problems include the mixed multiscale finite element methods. We show that for complicated problems, the mixed multiscale finite element methods may not be able to produce reliable approximations. This motivates the need of enrichment for coarse spaces. Two enrichment approaches are proposed, one is based on generalized multiscale finte element metthods (GMsFEM), while the other is based on spectral element-based algebraic multigrid (rAMGe). The former one, which is called mixed GMsFEM, is developed for both Darcy’s flow and linear elasticity. Application of the algorithm in two-phase flow simulations are demonstrated. For linear elasticity, the algorithm is subtly modified due to the symmetry requirement of the stress tensor. The latter enrichment approach is based on rAMGe. The algorithm differs from GMsFEM in that both of the velocity and pressure spaces are coarsened. Due the multigrid nature of the algorithm, recursive application is available, which results in an efficient multilevel construction of the coarse spaces. Stability, convergence analysis, and exhaustive numerical experiments are carried out to validate the proposed enrichment approaches. iii

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Universal Battery Supercharger

During the course of the UBS project a dc-fast charger was developed to be used in off board high power charging stations. High efficiency is targeted to reduce the charging price for the consumer while reducing the charge time. In the meantime, the size of the converter is minimized so that it could be used in small spaces and potentially urban areas. The topology is modular, and the power level can be expanded for charging higher power vehicles like trucks and buses. During the course of this research several key technologies was developed in LESES that improve the performance of the power electronics system used in EV charger. Integrated magnetics was developed for DMCR to improve the power density as well as efficiency of the magnetic components which is one of the main bottlenecks of EV development. Triangular mode EV current conduction mode is using to perform soft switching (increase efficiency) without adding any new components to the existing topology. Passive and active damping are developed to suppress the interaction between grid and converter, stabilizing the control system. Further numerous other technical problems have been solved to pave the way for even higher performance converters in the future.

25 ENERGY STORAGE↗
NASA NTRS1975

Second-order non-iterative ADI solution of non-linear partial differential equations

A new method for the solution of non-linear partial differential equations by an ADI procedure is described. Although the method is second order accurate in time, it does not require either iterations or predictor corrector methods to overcome the nonlinearity of the equations. Thus the computational effort required for the solution of the non-linear problem becomes similar to that required for the linear case. The method is applied to a two-dimensional 'extended Burgers equation'. Linear stability is studied, and some numerical solutions obtained. The improved accuracy obtained by the 2nd order truncation error is clearly manifested.

Wolfshtein, M.↗
NASA NTRS1976

The development of the Poincare-similar elements with eccentric anomaly as the independent variable

A new set of element differential equations for the perturbed two-body motion is derived. The elements are canonical and are similar to the classical canonical Poincare elements, which have time as the independent variable. The phase space is extended by introducing the total energy and time as canonically conjugated variables. The new independent variable is, to within an additive constant, the eccentric anomaly. These elements are compared to the Kustaanheimo-Stiefel (KS) element differential equations, which also have the eccentric anomaly as the independent variable. For several numerical examples, the accuracy and stability of the new set are equal to those of the KS solution. This comparable accuracy result can probably be attributed to the fact that both sets have the same time element and very similar energy elements. The new set has only 8 elements, compared to 10 elements for the KS set. Both sets are free from singularities due to vanishing eccentricity and inclination.

Bond, V. R.↗
NASA NTRS1983

Efficient linear and nonlinear heat conduction with a quadrilateral element

A method is presented for performing efficient and stable finite element calculations of heat conduction with quadrilaterals using one-point quadrature. The stability in space is obtained by using a stabilization matrix which is orthogonal to all linear fields and its magnitude is determined by a stabilization parameter. It is shown that the accuracy is almost independent of the value of the stabilization parameter over a wide range of values; in fact, the values 3, 2, and 1 for the normalized stabilization parameter lead to the 5-point, 9-point finite difference, and fully integrated finite element operators, respectively, for rectangular meshes and have identical rates of convergence in the L2 norm. Eigenvalues of the element matrices, which are needed for stability limits, are also given. Numerical applications are used to show that the method yields accurate solutions with large increases in efficiency, particularly in nonlinear problems.

Liu, W. K.↗
NASA NTRS1983

Convenient stability criteria for difference approximations of hyperbolic initial-boundary value problems

New convenient stability criteria are provided in this paper for a large class of finite difference approximations to initial-boundary value problems associated with the hyperbolic system u sub t = au sub x + Bu + f in the quarter plane x or = 0, t or = 0. Using the new criteria, stability is easily established for numerous combinations of well known basic schemes and boundary conditions, thus generalizing many special cases studied in recent literature.

Goldberg, M.↗
NASA NTRS1983

Barotropic instability of weakly non-parallel zonal flows

Integrations of the linear stability problem, in the present numerical investigation of weakly nonparallel zonal flows barotropic instability having localized intense shear regions, reveal the existence of unstable localized wave packets. The spatial structure and eigenfrequencies of these packets depend on two parameters measuring the degree of supercriticality and the zonal length scale of the shear region. It is found that instability structure is defined by conditions ensuring the decay of the wave packet at infinity, and the transition from long to short waves across a turning point region that is controlled by nonparallel effects.

Merkine, L.-O.↗
NASA NTRS1984

The propagation and stability of time-dependent galactodetonation waves

A new analytic approach is applied to the problem of star formation fronts in differentially rotating disks recently studied by Cowie and Rybicki. A quasi-linear equation for the inclination angle of the front is derived, and its characteristic equations are solved. The stability of these fronts found numerically in the previous study is revealed to be a direct consequence of the structure of the front characteristics. The time-dependent solutions found here are potentially useful in describing the evolution of local wave fronts shearing in a galactic velocity field, as observed in spirals lacking 'grand-design' structure.

Balbus, S. A.↗
NASA NTRS1985

Convenient stability criteria for difference approximations of hyperbolic initial-boundary value problems

New convenient stability criteria are provided in this paper for a large class of finite difference approximations to initial-boundary value problems associated with the hyperbolic system u sub t = au sub x + Bu + f in the quarter plane x or = 0, t or = 0. Using the new criteria, stability is easily established for numerous combinations of well known basic schemes and boundary conditins, thus generalizing many special cases studied in recent literature.

Goldberg, M.↗
NASA NTRS1985

Magnetohydrodynamic thermal instabilities in cool inhomogeneous atmospheres

The stability of magnetic loops to current-driven filamentation instabilities is investigated. The unperturbed atmosphere is assumed to be composed of an (upper) isothermal optically thin low-density portion and a (lower) higher-density portion which is in radiative equilibrium; in both cases, the atmosphere is in hydrostatic equilibrium, so that gravitational stratification is taken into account. In order to provide specific equilibrium conditions for evaluation of the dispersion relation, conditions appropriate for the surface of a solar-type star are adopted; i.e., a fairly low temperature (T = 5000 K) appropriate for a 'precoronal' state associated, for example, with magnetic flux emerging from photospheric levels under the action of magnetic buoyancy. A linear stability analysis is performed, and numerical results show that physically plausible current densities, which would be generated by typical loop-footpoint motions, are effective in driving MHD instabilities in such a plasma. The instability growth rates are strongly dependent on the assumed current density distribution and on the density scale height.

Bodo, G.↗
NASA NTRS1985

Dynamics of liquid sloshing in upright and inverted bladdered tanks

A system identification methodology was used to examine the dynamics of liquid sloshing in the upright and inverted bladdered hydrazine tanks of the Tracking and Data Relay Satellite, (TDRS) and to evaluate the effects of bladder stiffness on the sloshing parameters. Mechanical models of the two systems were developed using the numerical values derived from static stability tests and from slosh frequency response tests of a full-size model tank fitted with a prototype bladder. For the upright tank (liquid below the bladder) a modified conventional pendulum was used. In the inverted tank (liquid above the bladder) where sloshing is unconventional due to the highly nonsymmetrical orientation of the liquid held by the bladder, a mechanical model using an inverted pendulum which is able to undergo small oscillations as well as large reorientations was necessary. Both thrusting and low-gravity conditions are considered.

Dodge, F. T.↗