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All sourcesNASA NTRSDOE OSTI
NASA NTRS1965

Theory of Intramolecular Relaxation Processes

A master equation is derived to describe internal relaxation processes in molecular systems with a relatively small number of degrees of freedom. It is an inhomogeneous equation, taking into account nondiagonal elements of the coarse‐grained density matrix which prove to be the most relevant ones for the problem under consideration. Various relaxational time scales, inherent in a molecular system, can thus be shown to exist. Relaxation mechanisms and equilibrium states on these time scales can be determined. The general character and different types of solutions of the master equation are investigated. The theory is applied to internal vibrational relaxation and intramolecular rearrangement (isomerization) reactions.

Hofacker, G. Ludwig↗
NASA NTRS2000

Multigrid Relaxation of a Factorizable, Conservative Discretization of the Compressible Flow Equations

The second-order factorizable discretization of the compressible Euler equations developed by Sidilkover is extended to conservation form on general curvilinear body-fitted grids. The discrete equations are solved by symmetric collective Gauss-Seidel relaxation and FAS multigrid. Solutions for flow in a channel with Mach numbers ranging from 0.0001 to a supercritical Mach number are shown, demonstrating uniform convergence rates and no loss of accuracy in the incompressible limit. A solution for the flow around the leading edge of a semi-infinite parabolic body demonstrates that the scheme maintains rapid convergence for a flow containing a stagnation point.

Roberts, Thomas W.↗
NASA NTRS1989

Numerical algorithms for steady and unsteady incompressible Navier-Stokes equations

The numerical analysis of the incompressible Navier-Stokes equations are becoming important tools in the understanding of some fluid flow problems which are encountered in research as well as in industry. With the advent of the supercomputers, more realistic problems can be studied with a wider choice of numerical algorithms. An alternative formulation is presented for viscous incompressible flows. The incompressible Navier-Stokes equations are cast in a velocity/vorticity formulation. This formulation consists of solving the Poisson equations for the velocity components and the vorticity transport equation. Two numerical algorithms for the steady two-dimensional laminar flows are presented. The first method is based on the actual partial differential equations. This uses a finite-difference approximation of the governing equations on a staggered grid. The second method uses a finite element discretization with the vorticity transport equation approximated using a Galerkin approximation and the Poisson equations are obtained using a least squares method. The equations are solved efficiently using Newton's method and a banded direct matrix solver (LINPACK). The method is extended to steady three-dimensional laminar flows and applied to a cubic driven cavity using finite difference schemes and a staggered grid arrangement on a Cartesian mesh. The equations are solved iteratively using a plane zebra relaxation scheme. Currently, a two-dimensional, unsteady algorithm is being developed using a generalized coordinate system. The equations are discretized using a finite-volume approach. This work will then be extended to three-dimensional flows.

Hafez, Mohammed↗
NASA NTRS1983

A nonstationary relaxation method for the Cauchy-Riemann and 1-D Euler equations

The Cauchy-Riemann equations and the 1-D Euler equations are expressed in generalized coordinates and then cast in finite difference form by using central differencing throughout. The resulting matrix representation has an eigensystem that permits the development of an annihilation process using complex arithmetic in a block tridiagonal solver. Initial numerical experiments show that the process has potential for use as a relaxation procedure for the Euler equations.

Liu, Y.↗
DOE OSTI2020

Lifetime renormalization of driven weakly anharmonic superconducting qubits. II. The readout problem

Recent experiments in superconducting qubit systems have shown an unexpectedly strong dependence of the qubit relaxation rate on the readout drive power. This phenomenon limits the maximum measurement strength and thus the achievable readout speed and fidelity. We address this problem here and provide a plausible mechanism for drive-power dependence of relaxation rates. To this end we introduce a two-parameter perturbative expansion in qubit anharmonicity and the drive amplitude through a unitary transformation technique introduced in Part I. This approach naturally reveals number-nonconserving terms in the Josephson potential as a fundamental mechanism through which applied microwave drives can activate additional relaxation mechanisms. Here, we present our results in terms of an effective master equation with renormalized state- and drive-dependent transition frequency and relaxation rates. Comparison of numerical results from this effective master equation to those obtained from a Lindblad master equation which only includes number-conserving terms (i.e., Kerr interactions) shows that number-nonconserving terms can lead to significant drive-power dependence of the relaxation rates. The systematic expansion technique introduced here is of general applicability to obtaining effective master equations for driven-dissipative quantum systems that contain weakly nonlinear degrees of freedom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1972

Recent developments in the inversion by the method of relaxation

The relaxation method for inverse solution of the full radiative transfer equation is generalized to solve for all the atmospheric parameters that appear in the integrand as functions or functionals, without any a priori information about the expected solution. Illustrations are presented using the 7.5 micron CH4 band for determining temperature profiles in the Jovian atmosphere, and the 6.3 micron band for determining the water vapor mixing ratio in the earth's atmosphere.

Chahine, M. T.↗
NASA NTRS1997

Relaxation Revisited: A Fresh Look at Multigrid for Steady Flows

The year 1971 saw the publication of one of the landmark papers in computational aerodynamics, that of Murman and Cole. As with many seminal works, its significance lies not so much in the specific problem that it addressed| small disturbance, plane transonic flow - but in the identification of a general approach to the solution of a technically important and theoretically difficult problem. The key features of Murman and Cole's work were the use of type- dependent differencing to correctly account for the proper domain of dependence of a mixed elliptic/hyperbolic equation, and the introduction of line relaxation to solve the steady flow equation. All subsequent work in transonic potential flows was based on these concepts. Jameson extended Murman and Cole's ideas to the full potential equation with two important contributions. First, he introduced the rotated difference stencil, which generalized the Murman and Cole type-dependent difference operator to general coordinates. Second, he used the interpretation, introduced by Garabedian, of relaxation as an iteration in artificial time to construct stable relaxation schemes, generalizing the original line relaxation method of Reference. The decade of the 1970s saw an explosion of activity in the solution of transonic potential flows, which has been summarized in the review article of Caughey.

Roberts, Thomas W.↗
NASA NTRS1988

Three-dimensional elliptic grid generation technique with application to turbomachinery cascades

Described is a numerical method for generating 3-D grids for turbomachinery computational fluid dynamic codes. The basic method is general and involves the solution of a quasi-linear elliptic partial differential equation via pointwise relaxation with a local relaxation factor. It allows specification of the grid point distribution on the boundary surfaces, the grid spacing off the boundary surfaces, and the grid orthogonality at the boundary surfaces. A geometry preprocessor constructs the grid point distributions on the boundary surfaces for general turbomachinery cascades. Representative results are shown for a C-grid and an H-grid for a turbine rotor. Two appendices serve as user's manuals for the basic solver and the geometry preprocessor.

Chen, S. C.↗
DOE OSTI2025

Relaxation time approximation for a multispecies relativistic gas

We generalize a recent prescription for the relaxation time approximation for the relativistic Boltzmann equation for systems with multiple particle species at finite temperature. This is performed by adding counter-terms to the traditional Anderson-Witting ansatz for each particle species. Our approach allows for the use of momentum-dependent relaxation times and the obedience of local conservation laws regardless of the definition of the local equilibrium state. As an application, we derive the first order Chapman-Enskog corrections to the equilibrium distribution and display results for the hadron-resonance gas. We also demonstrate that our collision term ansatz obeys the second law of thermodynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

An eigenvalue-based method for computing the relaxed pressure in compressible multiphase flow with N phases

The modeling of compressible multiphase flows is a decades-old area of study with many applications across various fields. Many of these application areas use stiff pressure relaxation. This process involves the solution of a nonlinear system with N + 1 equations and N + 1 unknowns, where N is the number of phases. The resolution of this system with general equations of state (EOSs) is difficult. Furthermore, nonlinear systems can admit multiple solutions, and current solution methods do not address this possibility. Very recently, a thermodynamic relaxation method was introduced, which effectively maps a relatively simple predictor equation of state onto a more complex target equation of state. In this context, the target EOSs are the chosen EOSs for the thermodynamic model. Furthermore, this thermodynamic relaxation has the benefit of simplifying the stiff pressure relaxation system of equations. In this article, we show this system reduces to a polynomial of degree N, which can be recast as an eigenvalue problem through the use of the associated companion matrix. We show that although this eigenvalue method is generally less efficient than Newton–Raphson iteration, it does not suffer from convergence issues and finds all N roots of the polynomial. Hence, the method provides a fail-safe for root-finding iterative methods and a way to address the issue of multiple solutions to the nonlinear system of equations in stiff pressure relaxation.

Eigenvalue algorithm↗
NASA NTRS1978

The development of methods for the prediction of primary creep behavior in metals

The applicability of a thermodynamic constitutive theory of deformation to the prediction of primary creep and creep strain relaxation behavior in metals is examined. Constitutive equations derived from the theory are subjected to a parametric analysis in order to determine the influence of several parameters on the curve forms generated by the equations. A computer program is developed which enables the solution of a generalized constitutive equation using experimental data as input. Several metals were tested to form a data base of primary creep and relaxation behavior. The extent to which these materials conformed to the constitutive equation showed wide variability, with the alloy Ti-6Al-4V exhibiting the most consistent results. Accordingly, most of the analysis is concentrated upon data from that alloy, although creep and relaxation data from all the materials tested are presented. Experimental methods are outlined as well as some variations in methods of analysis. Various theoretical and practical implications of the work are discussed.

Zerwekh, R. P.↗
DOE OSTI2020

Time-dependent relaxed magnetohydrodynamics: Inclusion of cross helicity constraint using phase-space action

In this work, a phase-space version of the ideal magnetohydrodynamic (MHD) Lagrangian is derived from first principles and shown to give a relabeling transformation when a cross-helicity constraint is added in Hamilton's Action Principle. A new formulation of time-dependent “relaxed” magnetohydrodynamics is derived using microscopic conservation of mass and macroscopic constraints on total magnetic helicity, cross helicity, and entropy under variations of density, pressure, fluid velocity, and magnetic vector potential. This gives Euler–Lagrange equations consistent with previous work on both ideal and relaxed MHD equilibria with flow, but generalizes the relaxation concept from statics to dynamics. The application of the new dynamical formalism is illustrated for short-wavelength linear waves, and the interface connection conditions for Multiregion Relaxed MHD (MRxMHD) are derived. The issue of whether E+u×B=0 should be a constraint is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Navier-Stokes computations for aerodynamic configurations at high angles of attack

Navier-Stokes computations at high angles of attack over aerodynamic configurations are presented using an implicit finite-volume algorithm. The spatial differencing is upwind-biased for the convective and pressure terms and central for the shear stress and heat transfer terms. The equations are relaxed to steady state with a spatially factored implicit algorithm. In order to treat general geometries, a multiblock patched-grid framework is implemented. Applications and detailed comparisons with experimental data are made for two simple but representative geometric shapes: (1) a highly swept delta wing and (2) a prolate spheroid of 6:1 length-to-diameter. Recent extensions of the algorithm to compute the flow over an F-18 forebody-strake configuration are shown, including comparisons with wind tunnel and flight test results. Comparisons across the range of Reynolds number for all cases indicate that either low Reynolds number or high Reynolds number flows are simulated well, but that flows at intermediate Reynolds number cannot be simulated accurately without a detailed knowledge of the transitional zone between laminar and turbulent flow.

Thomas, J. L.↗
NASA NTRS1995

A kinematically driven anisotropic viscoelastic constitutive model applied to tires

Aircraft tires are composite structures manufactured with viscoelastic materials such as carbon black filled rubber and nylon cords. When loaded they experience large deflections and moderately large strains. Detailed structural models of tires require the use of either nonlinear shell or nonlinear three dimensional solid finite elements. Computational predictions of the dynamic response of tires must consider the composite viscoelastic material behavior in a realistic fashion. We describe a modification to a nonlinear anisotropic shell finite element so it can be used to model viscoelastic stresses during general deformations. The model is developed by introducing internal variables of the type used to model elastic strain energy. The internal variables are strains, curvatures, and transverse shear angles which are in a one-to-one correspondence with the generalized coordinates used to model the elastic strain energy for nonlinear response. A difference-relaxation equation is used to relate changes in the observable strain field to changes in the internal strain field. The internal stress state is introduced into the equilibrium equations by converting it to nodal loads associated with the element's displacement degrees of freedom. In this form the tangent matrix in the Newton-Raphson solution algorithm is not modified from its form for the nonlinear statics problem. Only the gradient vector is modified and the modification is not computationally costly. The existing finite element model for the Space Shuttle nose gear tire is used to provide examples of the algorithm. In the first example, the tire's rim is displaced at a constant rate up to a fixed value. In the second example, the tire's rim is enforced to follow a saw tooth load and unload curve to generate hysteresis loops.

Johnson, Arthur R.↗
NASA NTRS1990

An implicit finite element method for high speed flows

A fast algorithm is presented for constructing continuous lines, consisting of element sides, on general unstructured two-dimensional triangular meshes. The lines must pass through each node of the mesh once and only once. The discussion focuses on the use of these lines in a relaxation method for the solution of the equation system arising from an implicit algorithm for the solution of two-dimensional Euler and Navier-Stokes equations on general unstructured grids. It is also shown that the method can be used for solving three-dimensional Navier-Stokes equations on a grid composed of both structured and unstructured regions.

Hassan, O.↗
NASA NTRS1973

Relaxation solutions for inviscid axisymmetric transonic flow over blunt or pointed bodies.

A finite-difference relaxation method is presented for numerical solution of the full potential equation and exact boundary conditions for general axisymmetric bodies is inviscid, steady transonic flow. Body-normal coordinates are used in the nose region and sheared cylindrical coordinates are used on the afterbody to accommodate corners such as boattails and flares. An improved difference scheme is used which does not require that the flow be nearly alined with a coordinate direction in supersonic regions, and which treats either subsonic or supersonic free streams. Numerical results are illustrated for some simple classical shapes such as spheres and ellipsoids, and for more practical shapes like tangent-ogives with boattails. Special attention is given to bodies which have been studied for area-rule applications. Agreement with available experimental results is good in cases where viscous effects and wind-tunnel wall interference are not important.

South, J. C., Jr.↗
NASA NTRS2018

Impact of Satellite Sea Surface Salinity Observations on ENSO Predictions from the GMAO S2S Forecast System

Sea surface salinity (SSS) observations from space allow us to investigate if improved estimates of near-surface density stratification and associated mixing can positively impact seasonal to interannual variability of tropical Pacific Ocean dynamics as well as dynamical ENSO forecasts. For the first part of the presentation, we utilize our intermediate-complexity coupled model. Baseline experiments assimilate satellite sea level (multi-satellite gridded AVISO, 2013), SST (Reynolds et al., 2004), and in situ subsurface temperature and salinity observations (GTSPP NODC, 2006). These baseline experiments are then compared with experiments that additionally assimilate Aquarius (V5.0 Lilly and Lagerloef, 2008) and SMAP (V4.0 Fore et al., 2016) SSS. Twelve-month forecasts are initialized for each month from September 2011 to September 2017. For initialization of the coupled forecast, the positive impact of SSS assimilation is brought about by surface freshening near the eastern edge of the western Pacific warm pool and density changes that lead to shallower mixed layer between 10S-5N. This pattern enhances air/sea interaction and amplifies the equatorial Kelvin wave signal. We find that including satellite SSS significantly improves NINO3.4 sea surface temperature anomaly validation over most forecast lead times. We next assess how different satellite SSS products impact the validation of ENSO forecasts. SMAP V4 reduces the salty bias in the western Pacific and so is an improvement upon SMAP V2 and SMOS V2 (Boutin et al., 2017) has similar validation characteristics as a combination of Aquarius and SMAP V4. Next we shift to present results from the NASA GMAO Sub-seasonal to seasonal (S2S_v2.1) production coupled model (i.e. the same model that contributes ENSO forecasts to the North American Multi-Model Ensemble Experiment). From March to June 2015, the availability of two overlapping satellite SSS instruments, Aquarius and SMAP, allows a unique opportunity to compare and contrast forecasts initialized with the benefit of these two satellite SSS observation types. We assess the impact of satellite sea surface salinity (SSS) observations on dynamical ENSO forecasts for the big 2015 El Nino event. We will present distinct experiments for the overlap period that include 1) freely evolving SSS (i.e. no satellite SSS as the production system), 2) Aquarius, and 3) SMAP initialization. Our results show that using Aquarius slightly improves validation of the reanalysis (including sea level and temperature statistics). Our production system without SSS assimilation generated too warm forecasts for the 2015 El Nino from March initial conditions. Incorporating Aquarius into initialization of the coupled system leads to a deeper, more realistic MLD that acts to damp the downwelling Kelvin signal and slightly cool NINO3.4 SST. With Aquarius the forecasts better match the observed amplitude of the 2015 event. On the other hand, SMAP V2 relaxation generally degrades validation statistics. At forecast initialization, SMAP is much too salty within 10o of the equator, leading to deeper MLD east of 165W. This deeper MLD leads to over-damping of the downwelling signal (i.e. relative upwelling), in turn leading to relatively too cool ENSO forecasts.

Hackert, E.↗