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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Numerical and Experimental Investigation of the Effects of Acceleration Disturbances on Microgravity Experiments

Normal vibrational modes on large spacecraft are excited by crew activity, operating machinery, and other mechanical disturbances. Periodic engine burns for maintaining vehicle attitude and random impulse type disturbances also contribute to the acceleration environment of a Spacecraft. Accelerations from these vibrations (often referred to as g-jitter) are several orders of magnitude larger than the residual accelerations from atmospheric drag and gravity gradient effects. Naturally, the effects of such accelerations have been a concern to prospective experimenters wishing to take advantage of the microgravity environment offered by spacecraft operating in low Earth orbit and the topic has been studied extensively, both numerically and analytically. However, these studies have not produced a general theory that predicts the effects of multi-spectral periodic accelerations on a general class of experiments nor have they produced scaling laws that a prospective experimenter could use to assess how his/her experiment might be affected by this acceleration environment. Furthermore, there are no actual flight experimental data that correlates heat or mass transport with measurements of the periodic acceleration environment. The present investigation approaches this problem with carefully conducted terrestrial experiments and rigorous numerical modeling thereby providing comparative theoretical and experimental data. The modeling, it is hoped will provide a predictive tool that can be used for assessing experiment response to Spacecraft vibrations.

Ramachandran, Narayanan↗
NASA NTRS1984

Angular momentum transfer by gravitational torques and the evolution of binary protostars

The efficiency of angular momentum transport by gravitational torques is investigated semianalytically for two idealized models. The first model, a rotating ellipsoid embedded within another ellipsoid, is compared with numerical results for the fission instability of a radpidly-rotating polytrope. The fission instability is aborted by the rapid transfer of angular momentum outward by gravitational torques. The global rates of angular momentum transfer by gravitational torques in rotating gas clouds such as the presolar nebula are shown to be comparable to the rates assumed to be appropriate for transfer by turbulent stresses. The second model is a binary system embedded within a rotating ellipsoid. The binary orbital angular momentum decreases significantly when the phase angle with the ellipsoid is constant; the binary separation may then decrease by a factor of 100 within about an orbital period. For a variable phase angle, little secular loss of orbital angular momentum occurs. Binaries which form in the isothermal regime of the theory of hierarchical fragmentation will not undergo orbital decay, whereas very close binaries composed of nonisothermal fragments may decay and merge into single objects.

Boss, A. P.↗
DOE OSTI2024

ELECTRONIC STRUCTURE METHODS AND PROTOCOLS WITH APPLICATION TO DYNAMICS, KINETICS AND THERMOCHEMISTRY

Hydrocarbon combustion involves the reaction dynamics of a tremendous number of species beginning with many-component fuel mixtures and proceeding via a complex system of intermediates to form primary and secondary products. Combustion conditions corresponding to new advanced engines and/or alternative fuels rely increasingly on autoignition and low-temperature-combustion chemistry. In these regimes various transient radical species such as HO2, ROO·, ·QOOH, HCO, NO2, HOCO, and Criegee intermediates play important roles in determining the detailed as well as more general dynamics. A clear understanding and accurate representation of these processes is needed for effective modeling. Given the difficulties associated with making reliable experimental measurements of these systems, computation can play an important role in developing these energy technologies. Accurate calculations have their own challenges since even within the simplest dynamical approximations such as transition state theory, the rates depend exponentially on critical barrier heights and these may be sensitive to the level of quantum chemistry. Moreover, it is well-known that in many cases it is necessary to go beyond statistical theories and consider the dynamics. Quantum tunneling, resonances, radiative transitions, and non-adiabatic effects governed by spin-orbit or derivative coupling can be determining factors in those dynamics. Building upon progress made during a period of prior support through the DOE Early Career Program, this project combines developments in the areas of potential energy surface (PES) fitting and multistate multireference quantum chemistry to allow spectroscopically and dynamically/kinetically accurate investigations of key molecular systems (such as those mentioned above), many of which are radicals with strong multireference character and have the possibility of multiple electronic states contributing to the observed dynamics. An ongoing area of investigation is to develop general strategies for robustly convergent electronic structure theory for global multichannel reactive surfaces including diabatization of energy and other relevant surfaces such as dipole transition. Combining advances in ab initio methods with automated interpolative PES fitting allows the construction of high-quality PESs (incorporating thousands of high-level data) to be done rapidly through parallel processing on high-performance computing (HPC) clusters. In addition, new methods and approaches to electronic structure theory will be developed and tested through applications. This project will explore limitations in traditional multireference calculations (e.g., MRCI) such as those imposed by internal contraction, lack of high-order correlation treatment and poor scaling. Methods such as DMRG-based extended active-space CASSCF and various Quantum Monte Carlo (QMC) methods will be applied (including VMC/DMC and FCIQMC). Insight into the relative significance of different orbital spaces and the robustness of application of these approaches on leadership class computing architectures will be gained. Synergy with other components of this research program such as automated PES fitting and multireference quantum chemistry will be used to address challenges encountered by the standard approaches to computational thermochemistry (those being single-reference quantum chemistry and perturbative treatments of the anharmonic vibrational energy, which break down for some cases of electronic structure or floppy strongly coupled vibrational modes).

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Extended Lagrangian Born–Oppenheimer molecular dynamics for orbital-free density-functional theory and polarizable charge equilibration models

We report extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) is formulated for orbital-free Hohenberg–Kohn density-functional theory and for charge equilibration and polarizable force-field models that can be derived from the same orbital-free framework. The purpose is to introduce the most recent features of orbital-based XL-BOMD to molecular dynamics simulations based on charge equilibration and polarizable force-field models. These features include a metric tensor generalization of the extended harmonic potential, preconditioners, and the ability to use only a single Coulomb summation to determine the fully equilibrated charges and the interatomic forces in each time step for the shadow Born–Oppenheimer potential energy surface. The orbital-free formulation has a charge-dependent, short-range energy term that is separate from long-range Coulomb interactions. This enables local parameterizations of the short-range energy term, while the long-range electrostatic interactions can be treated separately. The theory is illustrated for molecular dynamics simulations of an atomistic system described by a charge equilibration model with periodic boundary conditions. The system of linear equations that determines the equilibrated charges and the forces is diagonal, and only a single Ewald summation is needed in each time step. The simulations exhibit the same features in accuracy, convergence, and stability as are expected from orbital-based XL-BOMD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Tests of Gravitational Symmetries with Pulsar Binary J1713+0747

Symmetries play a fundamental role in modern theories of gravity. The strong equivalence principle (SEP) constitutes a collection of gravitational symmetries which are all implemented by general relativity. Alternative theories, however, are generally expected to violate some aspects of SEP. We test three aspects of SEP using observed change rates in the orbital period and eccentricity of binary pulsar J1713+0747: (1) the gravitational constant’s constancy as part of locational invariance of gravitation; (2) the universality of free fall (UFF) for strongly self-gravitating bodies; (3) the post-Newtonian parameter ˆα3 in gravitational Lorentz invariance. Based on the pulsar timing result of the combined data set from the North American Nanohertz Gravitational Observatory and the European Pulsar Timing Array, we find G˙ /G = (−0.1 ± 0.9) × 10−12 yr−1, which is weaker than Solar system limits, but applies for strongly self-gravitating objects. Furthermore, we obtain an improved test for a UFF violation by a strongly self-gravitating mass falling in the gravitational field of our Galaxy, with a limit of |Delta| < 0.002 (95 per cent C.L.). Finally, we derive an improved limit on the self-acceleration of a gravitationally bound rotating body, to a preferred reference frame in the Universe, with −3 × 10−20 < ˆα3 < 4 × 10−20 (95 per cent C.L.). These results are based on direct UFF and ˆα3 tests using pulsar binaries, and they overcome various limitations of previous tests of this kind.

W W Zhu↗
NASA NTRS1981

Tidal evolution of the Galilean satellites - A linearized theory

The Laplace resonance among the Galilean satellites Io, Europa, and Ganymede is traditionally reduced to a pendulum-like dynamical problem by neglecting short-period variations of several orbital elements. However, some of these variations that can now be neglected may once have had longer periods, comparable to the 'pendulum' period, if the system was formerly in deep resonance (pairs of periods even closer to the ratio 2:1 than they are now). In that case, the dynamical system cannot be reduced to fewer than nine dimensions. The nine-dimensional system is linearized here in order to study small variations about equilibrium. When tidal effects are included, the resulting evolution is substantially the same as was indicated by the pendulum approach, except that evolution out of deep resonance is found to be somewhat slower than suggested by extrapolation of the pendulum results. This slower rate helps support the hypothesis that the system may have evolved from deep resonance.

Greenberg, R.↗
DOE OSTI2022

Relativistic Density Functional NMR Tensors Analyzed with Spin–free Localized Molecular Orbitals

The implementation of fast relativistic methods based on density functional theory, in conjunction with localized molecular orbital (LMO) based analysis, allows straightforward interpretations of NMR parameters in terms of contributions from core shells, lone pairs, and bonds, for compounds containing elements from across the periodic table. We present a conceptual review of a frequently used LMO analysis of NMR parameters calculated in the presence of spin-orbit interactions and other relativistic effects. An accompanying example focuses on the 15 N shielding in a heavy metal complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Nearly Periodic Maps and Geometric Integration of Noncanonical Hamiltonian Systems

Abstract M. Kruskal showed that each continuous-time nearly periodic dynamical system admits a formal U (1)-symmetry, generated by the so-called roto-rate. When the nearly periodic system is also Hamiltonian, Noether’s theorem implies the existence of a corresponding adiabatic invariant. We develop a discrete-time analog of Kruskal’s theory. Nearly periodic maps are defined as parameter-dependent diffeomorphisms that limit to rotations along a U (1)-action. When the limiting rotation is non-resonant, these maps admit formal U (1)-symmetries to all orders in perturbation theory. For Hamiltonian nearly periodic maps on exact presymplectic manifolds, we prove that the formal U (1)-symmetry gives rise to a discrete-time adiabatic invariant using a discrete-time extension of Noether’s theorem. When the unperturbed U (1)-orbits are contractible, we also find a discrete-time adiabatic invariant for mappings that are merely presymplectic, rather than Hamiltonian. As an application of the theory, we use it to develop a novel technique for geometric integration of non-canonical Hamiltonian systems on exact symplectic manifolds.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2002

Initialization of Formation Flying Using Primer Vector Theory

In this paper, we extend primer vector analysis to formation flying. Optimization of the classical rendezvous or free-time transfer problem between two orbits using primer vector theory has been extensively studied for one spacecraft. However, an increasing number of missions are now considering flying a set of spacecraft in close formation. Missions such as the Magnetospheric MultiScale (MMS) and Leonardo-BRDF (Bidirectional Reflectance Distribution Function) need to determine strategies to transfer each spacecraft from the common launch orbit to their respective operational orbit. In addition, all the spacecraft must synchronize their states so that they achieve the same desired formation geometry over each orbit. This periodicity requirement imposes constraints on the boundary conditions that can be used for the primer vector algorithm. In this work we explore the impact of the periodicity requirement in optimizing each spacecraft transfer trajectory using primer vector theory. We first present our adaptation of primer vector theory to formation flying. Using this method, we then compute the AV budget for each spacecraft subject to different formation endpoint constraints.

Mailhe, Laurie↗
NASA NTRS1973

Observations of collisionless drift waves.

Velocity distribution functions of both the electron and the proton component of the magnetospheric plasma are measured in 62 logarithmically spaced steps from 50 eV to 50 keV by an instrument carried upon the ATS-5 spacecraft in circular synchronous orbit (6.6 earth radii). Oscillations which appear to be collisionless drift waves having periods of several minutes or longer are found in this data. Linearized wave theory can be used to predict the theoretical perturbation distribution function in terms of the perturbing fields and the equilibrium distribution function. The functional dependence of the theoretical perturbation distribution function upon particle energy can then be compared with that of the measured perturbation.

Laquey, R. E.↗
NASA NTRS2002

Experiments and Modeling of G-Jitter Fluid Mechanics

While there is a general understanding of the acceleration environment onboard an orbiting spacecraft, past research efforts in the modeling and analysis area have still not produced a general theory that predicts the effects of multi-spectral periodic accelerations on a general class of experiments nor have they produced scaling laws that a prospective experimenter can use to assess how an experiment might be affected by this acceleration environment. Furthermore, there are no actual flight experimental data that correlates heat or mass transport with measurements of the periodic acceleration environment. The present investigation approaches this problem with carefully conducted terrestrial experiments and rigorous numerical modeling for better understanding the effect of residual gravity and gentler on experiments. The approach is to use magnetic fluids that respond to an imposed magnetic field gradient in much the same way as fluid density responds to a gravitational field. By utilizing a programmable power source in conjunction with an electromagnet, both static and dynamic body forces can be simulated in lab experiments. The paper provides an overview of the technique and includes recent results from the experiments.

Leslie, F. W.↗
DOE OSTI2025

Bounce-averaged theory in arbitrary multi-well plasmas: solution domains and the graph structure of their connections

Bounce-averaged theories provide a framework for simulating relatively slow processes, such as collisional transport and quasilinear diffusion, by averaging these processes over the fast periodic motions of a particle on a closed orbit. This procedure dramatically increases the characteristic time scale and reduces the dimensionality of the modelled system. The natural coordinates for such calculations are the constants of motion (COM) of the fast particle motion, which by definition do not change during an orbit. However, for sufficiently complicated fields – particularly in the presence of local maxima of the electric potential and magnetic field – the COM are not sufficient to specify the particle trajectory. In such cases, multiple domains in COM space must be used to solve the problem, with boundary conditions enforced between the domains to ensure continuity and particle conservation. Previously, these domains have been imposed by hand, or by recognising local maxima in the fields, limiting the flexibility of bounce-averaged simulations. Here, we present a general set of conditions for identifying consistent domains and the boundary condition connections between the domains, allowing the application of bounce-averaged theories in arbitrarily complicated and dynamically evolving electromagnetic field geometries. We also show how the connections between the domains can be represented by a directed graph, which can help to succinctly represent the trajectory bifurcation structure.

fusion plasma↗
NASA NTRS1979

Diagrammatic theory of transition of pendulum like systems

Orbit-orbit and spin-orbit gravitational resonances are analyzed using the model of a rigid pendulum subject to both a time-dependent periodic torque and a constant applied torque. First, a descriptive model of passage through resonance is developed from an examination of the polynomial equation that determines the extremes of the momentum variable. From this study, a probability estimate for capture into libration is derived. Second, a lowest order solution is constructed and compared with the solution obtained from numerical integration. The steps necessary to systematically improve this solution are also discussed. Finally, the effect of a dissipative term in the pendulum equation is analyzed.

Yoder, C. F.↗
NASA NTRS1989

Transport dynamics calculated under the full Mie scattering theory for micron and submicron lunar ejecta in selenocentric, cislunar, and geocentric space

In 1967, Lunar Explorer 35 was launched from the earth and placed into a stable orbit around the moon. The data from the dust particle experiment on this spacecraft were essentially continuous over a 5-yr period from the time of insertion in lunar orbit. Analysis of this data has been interpreted to show that micron-sized lunar ejecta leave the moon and traverse through selenocentric and cislunar space and obtain either interplanetary/heliocentric orbits or intercept the earth's magnetosphere and move into geocentric orbits. Extensive studies of the orbital trajectories of lunar particles in this size range have now been conducted that include a calculation of the solar radiation force using the full Mie scattering theory. A significant flux of particles with radii less than 0.1 micron are found to intercept the earth's magnetopause surface. This flux is shown to be strongly dependent upon both the particle's density and its index of refraction.

Hyde, T. W.↗
NASA NTRS2002

Dynamical Models of the Solar System Formation and Evolution

Mark Lewis has extended his them is work by completing a series of N-body simulations of a narrow ring that: is in the location of Saturn's F-ring and is perturbed by a single satellite comparable to Prometheus, but on a circular orbit. We had previously shown how the satellite perturbations can cause a broadly distributed sparse population of ring particles to become concentrated into narrow rings that can be maintained outside of any resonance location. For low optical depths, the collisions between ring particles are highly localized in the peaks of the satellite wakes. The inelastic collisions therefore occur at a particular orbital phase angle so as to damp the azimuthal component of the relative velocities. Since particle positions are not changed by collisions, the semimajor axes of the particles are shifted toward the actual particle positions where the collisions occur. Thus, negative radial diffusion can occur while conserving orbital angular momentum so long as the forced eccentricity is continually re-excited by the satellite. We speculated that the separation between the final ringlets was largely determined by the magnitude of the forced eccentricities induced by the satellite at closest approach. We carried out a series of simulations with a variety of different satellite masses in order to vary the magnitude of the forced eccentricity. We found that indeed the final spacing of the ringlets does increase with the magnitude of the forced eccentricity (Lewis and Stewart 2002). This occurs because neighboring eccentric ringlets drift out of phase with one another due to Keplerian shear and eventually collide with one another, leading to a smaller number of more widely spaced ringlets, The time scale required to form narrow ringlets in these simulations is much shorter than one would expect from standard theories based upon the orbit-averaged torque produced by multiple passes by the satellite. We find that the initial ringlets form in less than two synodic periods and the final state is typically reached in 10 to 20 synodic periods. These studies move us closer to understanding the significantly more complex system of Saturn's F ring, where the perturbation magnitude varies over short temporal and spatial time scales due to the orbital eccentricities of the perturbing satellite. We are currently extending the simulation to allow for an eccentric orbit of the satellite.

Stewart, Glen R.↗
NASA NTRS1977

An Analytical State Transition Matrix for Orbits Perturbed by an Oblate Spheroid

An analytical state transition matrix and its inverse, which include the short period and secular effects of the second zonal harmonic, were developed from the nonsingular PS satellite theory. The fact that the independent variable in the PS theory is not time is in no respect disadvantageous, since any explicit analytical solution must be expressed in the true or eccentric anomaly. This is shown to be the case for the simple conic matrix. The PS theory allows for a concise, accurate, and algorithmically simple state transition matrix. The improvement over the conic matrix ranges from 2 to 4 digits accuracy.

Mueller, A. C.↗
NASA NTRS1978

Development and evaluation of a hybrid averaged orbit generator

A rapid orbit generator based on a first-order application of the Generalized Method of Averaging has been developed for the Research and Development (R&D) version of the Goddard Trajectory Determination System (GTDS). The evaluation of the averaged equations of motion can use both numerically averaged and recursively evaluated, analytically averaged perturbation models. These equations are numerically integrated to obtain the secular and long-period motion. Factors affecting efficient orbit prediction are discussed and guidelines are presented for treatment of each major perturbation. Guidelines for obtaining initial mean elements compatible with the theory are presented. An overview of the orbit generator is presented and comparisons with high precision methods are given.

Mcclain, W. D.↗