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At least 235 records · Page 13

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NASA NTRS2007

Multi-Scale Modeling of Magnetospheric Reconnection

One of the major challenges in modeling the magnetospheric magnetic reconnection is to quantify the interaction between large-scale global magnetospheric dynamics and microphysical processes in diffusion regions near reconnection sites. There is still considerable debate as to what degree microphysical processes on kinetic scales affect the global evolution and how important it is to substitute numerical dissipation and/or ad hoc anomalous resistivity by a physically motivated model of dissipation. Comparative studies of magnetic reconnection in small scale geometries demonstrated that MHD simulations that included non-ideal processes in terms of a resistive term $\eta J$ did not produce the fast reconnection rates observed in kinetic simulations. For a broad range of physical parameters in collisionless magnetospheric plasma, the primary mechanism controlling the dissipation in the vicinity of the reconnection site is non-gyrotropic effects with spatial scales comparable with the particle Larmor radius. We utilize the global MHD code BATSRUS and incorporate nongyrotropic effects in diffusion regions in terms of corrections to the induction equation. We developed an algorithm to search for magnetotail reconnection sites, specifically where the magnetic field components perpendicular to the local current direction approaches zero and form an X-type configuration. Spatial scales of the diffusion region and magnitude of the reconnection electric field are calculated selfconsistently using MHD plasma and field parameters in the vicinity of the reconnection site. The location of the reconnection sites is updated during the simulations. To clarify the role of nongyrotropic effects in diffusion region on the global magnetospheric dynamic we perform simulations with steady southward IMF driving of the magnetosphere. Ideal MHD simulations with magnetic reconnection supported by numerical resistivity produce steady configuration with almost stationary near-earth neutral line (NENL). Simulations with non-gyrotropic corrections demonstrate dynamic quasi-periodic response to the steady driving condition. The loading/unloading cycle in non-gyrotropic MHD results has a non-stationary reconnection site in the magnetotail, with the retreating during the stretching phase and then a new NENL forming in the resulting thin plasma sheet. We expect that this model will lead to improved representations of space weather event in the magnetosphere.

Kuznetsova, M. M.↗

DOE OSTI2024

DG-IMEX method for a two-moment model for radiation transport in the $\mathscr{O}$($v$/$c$) limit

Here, we consider neutral particle systems described by moments of a phase-space density and propose a realizability-preserving numerical method to evolve a spectral two-moment model for particles interacting with a background fluid moving with nonrelativistic velocities. The system of nonlinear moment equations, with special relativistic corrections to $\mathscr{O}$($v$/$c$), expresses a balance between phase-space advection and collisions and includes velocity-dependent terms that account for spatial advection, Doppler shift, and angular aberration. The model is conservative for the correct $\mathscr{O}$($v$/$c$) Eulerian-frame number density and is consistent, to $\mathscr{O}$($v$/$c$), with Eulerian-frame energy and momentum conservation. This model is closely related to the one promoted by Lowrie et al. and similar to models currently used to study transport phenomena in large-scale simulations of astrophysical environments. The proposed numerical method is designed to preserve moment realizability, which guarantees that the moments correspond to a nonnegative phase-space density. The realizability-preserving scheme consists of the following key components: (i) a strong stability-preserving implicit-explicit (IMEX) time-integration method; (ii) a discontinuous Galerkin (DG) phase-space discretization with carefully constructed numerical uxes; (iii) a realizability-preserving implicit collision update; and(iv) a realizability-enforcing limiter. In time integration, nonlinearity of the moment model necessitates solution of nonlinear equations, which we formulate as fixed-point problems and solve with tailored iterative solvers that preserve moment realizability with guaranteed global convergence. We also analyze the simultaneous Eulerian-frame number and energy conservation properties of the semi-discrete DG scheme and propose a "spectral redistribution" scheme that promotes Eulerian-frame energy conservation. Through numerical experiments, we demonstrate the accuracy and robustness of this DG-IMEX method and investigate its Eulerian-frame energy conservation properties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Path integral molecular dynamics: A high-fidelity approach to quantum dynamics of electrons

We investigate electron transport in the uniform electron gas using ring-polymer molecular dynamics (RPMD). Working in the weakly coupled, non-degenerate regime, we use RPMD to probe how the onset of quantum diffraction effects at high temperature reshapes electron–electron collisions and leads to a classical-to-quantum crossover in macroscopic transport properties. Static thermodynamics obtained with RPMD are consistent with the weak-coupling equation of state, confirming correct quantum Boltzmann sampling. Real-time transport extracted from mean square displacements exhibits the expected ballistic-to-diffusive transition and a systematic reduction of the electronic self-diffusivity as quantum effects strengthen, due to quantum diffraction modifying electron–electron collisions. Direct ring-polymer scattering simulations reveal diffractive “softening” of binary deflections, providing a micro-to-macro link between collision physics and diffusion. The present study establishes RPMD as a quantitative, trajectory-based tool for electron transport across the classical–quantum crossover and furnishes benchmarks for improving Coulomb-log interpolation models. We outline extensions to multi-component plasmas and a path to incorporate Fermi–Dirac statistics within path-integral dynamics.

Electronic transport↗

NASA NTRS1983

A generalized computer code for developing dynamic gas turbine engine models (DIGTEM)

This paper describes DIGTEM (digital turbofan engine model), a computer program that simulates two spool, two stream (turbofan) engines. DIGTEM was developed to support the development of a real time multiprocessor based engine simulator being designed at the Lewis Research Center. The turbofan engine model in DIGTEM contains steady state performance maps for all the components and has control volumes where continuity and energy balances are maintained. Rotor dynamics and duct momentum dynamics are also included. DIGTEM features an implicit integration scheme for integrating stiff systems and trims the model equations to match a prescribed design point by calculating correction coefficients that balance out the dynamic equations. It uses the same coefficients at off design points and iterates to a balanced engine condition. Transients are generated by defining the engine inputs as functions of time in a user written subroutine (TMRSP). Closed loop controls can also be simulated. DIGTEM is generalized in the aerothermodynamic treatment of components. This feature, along with DIGTEM's trimming at a design point, make it a very useful tool for developing a model of a specific turbofan engine.

Daniele, C. J.↗

NASA NTRS1983

Digital computer program for generating dynamic turbofan engine models (DIGTEM)

This report describes DIGTEM, a digital computer program that simulates two spool, two-stream turbofan engines. The turbofan engine model in DIGTEM contains steady-state performance maps for all of the components and has control volumes where continuity and energy balances are maintained. Rotor dynamics and duct momentum dynamics are also included. Altogether there are 16 state variables and state equations. DIGTEM features a backward-differnce integration scheme for integrating stiff systems. It trims the model equations to match a prescribed design point by calculating correction coefficients that balance out the dynamic equations. It uses the same coefficients at off-design points and iterates to a balanced engine condition. Transients can also be run. They are generated by defining controls as a function of time (open-loop control) in a user-written subroutine (TMRSP). DIGTEM has run on the IBM 370/3033 computer using implicit integration with time steps ranging from 1.0 msec to 1.0 sec. DIGTEM is generalized in the aerothermodynamic treatment of components.

Daniele, C. J.↗

NASA NTRS1984

A generalized computer code for developing dynamic gas turbine engine models (DIGTEM)

Daniele, C. J.↗

NASA NTRS1997

Compton Scattering by Static and Moving Media: The Transfer Equation and its Moments - Part 1

Compton scattering of photons by nonrelativistic particles is thought to play an important role in forming the radiation spectrum of many astrophysical systems. Here we derive the time-dependent photon kinetic equation that describes spontaneous and induced Compton scattering, as well as absorption and emission by static and moving media, the corresponding radiative transfer equation, and their zeroth and first angular moments, both in the system frame and in the frame comoving with the medium. We show that it is necessary to use the correct relativistic differential scattering cross section in order to obtain a photon kinetic equation that is correct to first order in Epsilon/m(sub e), T(sub e)/m(sub e), and V, where Epsilon is the photon energy, T(sub e) and m(sub e) are the electron temperature and rest mass, and V is the electron bulk velocity in units of the speed of light. We also demonstrate that the terms in the radiative transfer equation that are second order in V should usually be retained, because if the radiation energy density is sufficiently large, compared to the radiation flux, the effects of bulk Comptonization described by the terms that are second order in V can be as important as the effects described by the terms that are first order in V, even when V is small. The system- and fluid-frame equations that we derive are correct to first order in Epsilon/m(sub e). Our system-frame equations, which are correct to second order in V, may be used when V is not too large. Our fluid-frame equations, which are exact in V, may be used when V approaches 1. Both sets of equations are valid for systems of arbitrary optical depth and can therefore be used in both the free-streaming and diffusion regimes. We demonstrate that Comptonization by the electron bulk motion occurs whether or not the radiation field is isotropic or the bulk flow converges and that it is more important than thermal Comptonization if V(sup 2) is greater than 3T(sub e)/m(sub e).

Psaltis, Dimitrios↗

NASA NTRS1970

Empirical analytic transformations between geographic and corrected geomagnetic coordinates

Based upon a mathematical model of contours of constant corrected geomagnetic latitude in a polar projection of geographic coordinates, analytic equations are developed for converting geographic coordinates to corrected geomagnetic coordinates and vice versa. The equations were programmed for use on a small computer. This treatment is restricted to the Northern Hemisphere.

Comfort, R. H.↗

DOE OSTI2023

Pushing the limits of the periodic table — A review on atomic relativistic electronic structure theory and calculations for the superheavy elements

We review the progress in atomic structure theory with a focus on superheavy elements and their predicted ground state configurations important for an element’s placement in the periodic table. To understand the electronic structure and correlations in the regime of large atomic numbers, it is essential to correctly solve the Dirac equation in strong Coulomb fields, and to take into account quantum electrodynamic effects. We specifically focus on the fundamental difficulties encountered when dealing with the many-particle Dirac equation. We further discuss the possibility for future many-electron atomic structure calculations going beyond the critical nuclear charge $Z_{crit}≈170$, where levels such as the $1s$ shell dive into the negative energy continuum ($E_{nκ} < –m_{e}c^2$). The nature of the resulting Gamow states within a rigged Hilbert space formalism is highlighted.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Quantum mechanics based non-bonded force field functions for use in molecular dynamics simulations of materials and systems: The nitrogen and oxygen columns

Accurate Force Fields (FFs) are essential for Molecular Dynamics (MD) simulations of the dynamics of realistic materials in terms of atomic-level interactions. The FF parameters of short-range valence interactions can be derived through Quantum Mechanical (QM) calculations on model systems practical for QM (<300 atoms). Similarly, the dynamic electrostatic interactions can be described with methods such as QEq or PQEq that allow charges and polarization to adjust dynamically. However, accurately extracting long-range van der Waals (vdW) interactions from QM calculations poses challenges due to the absence of a definitive method to distinguish between the different energetic components of electrostatics, polarization, vdW, hydrogen bonding, and valence interactions. To do this we use the Perdew–Burke–Ernzerhof flavor of Density Functional Theory, including empirical D3 vdW corrections, to predict the Equation of State for each element (keeping any covalent bonds fixed), from which we obtain the two-body vdW nonbond potential. Here, we extend these calculations to include non-bonded parameters for the N and O columns of the periodic table so that we now describe columns 15 (N), 16 (O), 17 (F), and 18 (Ne) of the periodic table. For these 20 elements, we find that the two-body vdW potentials can all be mapped to a single universal two-body curve, with just three scaling parameters: Re, De, and L. We refer to this as the Universal NonBond (UNB) potential. We expect this to be useful for new MD simulations and a helpful starting point to obtain UNB parameters for the remainder of the periodic table.

Chemistry↗

DOE OSTI2021

SDSS-IV MaNGA: drivers of stellar metallicity in nearby galaxies

The distribution of stellar metallicities within and across galaxies is an excellent relic of the chemical evolution across cosmic time. Here we present a detailed analysis of spatially resolved stellar populations based on >2.6 million spatial bins from 7439 nearby galaxies in the Sloan Digital Sky Survey-IV (SDSS-IV) Mapping Nearby Galaxies at APO (MaNGA) survey. To account for accurate inclination corrections, we derive an equation for morphology-dependent determination of galaxy inclinations. Our study goes beyond the well-known global mass–metallicity relation and radial metallicity gradients by providing a statistically sound exploration of local relations between stellar metallicity [Z/H], stellar surface mass density Σ ⋆ , and galactocentric distance in the global mass–morphology plane. We find a significant resolved mass density–metallicity relation rΣ ⋆ ZR for galaxies of all types and masses above 10 9.8 M ⊙ ⁠. Different radial distances make an important contribution to the spread of the relation. Particularly, in low- and intermediate-mass galaxies, we find that at fixed Σ ⋆ metallicity increases with radius independently of morphology. For high masses, this radial dependence is only observed in high Σ ⋆ regions of spiral galaxies. This result calls for a driver of metallicity, in addition to Σ ⋆ that promotes chemical enrichment in the outer parts of galaxies more strongly than in the inner parts. We discuss gas accretion, outflows, recycling, and radial migration as possible scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1979

Computational simulation of corotational vortex merger using 0, 1, and 2 equation turbulence models

A computational study has been conducted to gain a better understanding of the role of turbulence in the merger of corotating vortices and in the decay of a single vortex. The flow field is simulated by using an inviscid flow model and zero-, one-, and two-equation turbulent-flow models. An implicit finite-difference procedure is employed to integrate the unsteady, two-dimensional, incompressible flow equations in a cross-plane. In the zero- and one-equation models, a spatially varying mixing-length model that simulates the streamline curvature effect is used to define an eddy viscosity. The computational merging distance criterion is in good agreement with the experimental one. In the case of the two-equation model, the turbulent kinetic energy and a modified rate of dissipation equation incorporating a curvature correction term are solved. A comparative study of the computational results corresponding to the various flow models and the available experimental data is presented.

Raj, P.↗

NASA NTRS1980

Remote sensing of ozone in the middle ultraviolet

Earlier studies of the remote sensing of the ozone distribution from satellites in the middle ultraviolet are extended, giving particular attention to the analytic model method. After a brief introduction, the historical background of this subject is presented. This is followed by a summary and review of early work based upon the analytic model. Then a linearized approach to the problem and a linearized equation for a density correction are discussed. These indicate some of the general limitations of the inversion method. Finally the parametrized model approach is reexamined by using both simulated data and some actual satellite data.

Green, A. E. S.↗

NASA NTRS1983

A numerical model of acoustic choking. I - Shock free solutions

The phenomenon of acoustic choking in near sonic flows is investigated using the one-dimensional gasdynamic equations for an ideal gas. It is pointed out that this approach eliminates the need to make the classical small disturbance assumption. A finite difference scheme is elaborated to approximate these equations. Boundary conditions that correctly model the physics of the acoustics problems are chosen. The use of a fast Fourier transform routine allows the results to be compared with those obtained by using the conventional harmonic assumptions. Only solutions in which shocks have not fully developed are reported. Continuous solutions are sought, and these are compared with the Fubini solution and with certain results of Myers and Callegari (1977, 1978, 1979).

Walkington, N. J.↗

NASA NTRS1989

Multi-flexible-body dynamics capturing motion-induced stiffness

A multi-flexible-body dynamics formulation incorporating a recently developed theory for capturing motion induced stiffness for a arbitrary structure undergoing large rotation and translation accompanied by small vibrations is presented. In essence, the method consists of correcting prematurely linearized dynamical equations for an arbitrary flexible body with generalized active forces due to geometric stiffness corresponding to a system of twelve inertia forces and nine inertia couples distributed over the body. Equations of motion are derived by means of Kane's method. A useful feature of the formulation is its treatment of prescribed motions and interaction forces. Results of simulations of motions of three flexible spacecraft, involving stiffening during spinup motion, dynamic buckling, and a repositioning maneuver, demonstrate the validity and generality of the theory.

Banerjee, Arun K.↗

NASA NTRS1994

Excitation of neutron star normal modes during binary inspiral

As a compact binary inspirals due to the emission of gravitational waves, its orbital period decreases continuously down to approximately 1 ms, its value at coalescence. During the last part of the inspiral, the two stars are close together, and their tidal interactions become strong. Neutron stars have many normal modes (core g-modes, crustal discontinuity modes, shear modes, etc.) whose periods lie in the range (approximately several ms) swept by the orbital period. Some of these modes are resonantly excited by the tidal force. The amount of energy a mode absorbs is proportional to the square of the overlap integral between its displacement field and the tidal force field. For all modes of interest, this overlap is poor, resulting in relatively weak excitation. For the best case, the absorbed energy is only a small fraction (approximately 10(exp -6)) of the orbital energy, so the orbital phase shift is too weak to be detected by observations of the gravitational wave signal emitted by the inspiraling binary. However, with displacement amplitudes of excited quadrupole modes ranging up to 0.5% of the stellar radius, the possibility of a detectable electromagnetic signature cannot be dismissed. Both the periods of the modes and the energy they absorb depend quite strongly on the internal structure of the star. Their observation could shed light on the correct high-density equation of state.

Reisenegger, Andreas↗

NASA NTRS1996

Development of an Automatic Grid Generator for Multi-Element High-Lift Wings

The procedure to generate the grid around a complex wing configuration is presented in this report. The automatic grid generation utilizes the Modified Advancing Front Method as a predictor and an elliptic scheme as a corrector. The scheme will advance the surface grid one cell outward and the newly obtained grid is corrected using the Laplace equation. The predictor-corrector step ensures that the grid produced will be smooth for every configuration. The predictor-corrector scheme is extended for a complex wing configuration. A new technique is developed to deal with the grid generation in the wing-gaps and on the flaps. It will create the grids that fill the gap on the wing surface and the gap created by the flaps. The scheme recognizes these configurations automatically so that minimal user input is required. By utilizing an appropriate sequence in advancing the grid points on a wing surface, the automatic grid generation for complex wing configurations is achieved.

Eberhardt, Scott↗

NASA NTRS1999

The Behavior of Filters and Smoothers for Strongly Nonlinear Dynamics

The Kalman filter is the optimal filter in the presence of known Gaussian error statistics and linear dynamics. Filter extension to nonlinear dynamics is non trivial in the sense of appropriately representing high order moments of the statistics. Monte Carlo, ensemble-based, methods have been advocated as the methodology for representing high order moments without any questionable closure assumptions (e.g., Miller 1994). Investigation along these lines has been conducted for highly idealized dynamics such as the strongly nonlinear Lorenz (1963) model as well as more realistic models of the oceans (Evensen and van Leeuwen 1996) and atmosphere (Houtekamer and Mitchell 1998). A few relevant issues in this context are related to the necessary number of ensemble members to properly represent the error statistics and, the necessary modifications in the usual filter equations to allow for correct update of the ensemble members (Burgers 1998). The ensemble technique has also been applied to the problem of smoothing for which similar questions apply. Ensemble smoother examples, however, seem to quite puzzling in that results of state estimate are worse than for their filter analogue (Evensen 1997). In this study, we use concepts in probability theory to revisit the ensemble methodology for filtering and smoothing in data assimilation. We use Lorenz (1963) model to test and compare the behavior of a variety implementations of ensemble filters. We also implement ensemble smoothers that are able to perform better than their filter counterparts. A discussion of feasibility of these techniques to large data assimilation problems will be given at the time of the conference.

Zhu, Yanqiu↗