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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 19 records

Including Radiative Heating for the Design of the Orion Backshell for Artemis-1: A Narrative

The backshell radiative heating for Earth entry was ignored primarily because of the negligible Fire and Apollo 4 backshell radiometer measurements and negligible radiative heating resulting from the assumed upper-limit Boltzmann assumption of atomic electronic levels. These assumptions are shown to be erroneous in the recombining expanding flow characteristic of the wake, where the slow finite-rate recombination of electrons and ions leads to the Saha-Boltzmann distribution being larger than the Boltzmann distribution.

aftbody radiation↗

Oxygen and nitrogen vibration in the thermosphere

Analysis of the departure of oxygen and nitrogen molecules from the Boltzmann distribution in the thermosphere. It is concluded that the daytime production rates are too low to cause departures from the Boltzmann distribution at altitudes below about 300 km for vibrational levels containing a significant fraction of total population. It is also pointed out that diffusion cannot perturb significantly the Boltzmann distribution at altitudes below about 370 km.

Walker, J. C. G.↗

Application of Simulated Annealing and Related Algorithms to TWTA Design

Simulated Annealing (SA) is a stochastic optimization algorithm used to search for global minima in complex design surfaces where exhaustive searches are not computationally feasible. The algorithm is derived by simulating the annealing process, whereby a solid is heated to a liquid state and then cooled slowly to reach thermodynamic equilibrium at each temperature. The idea is that atoms in the solid continually bond and re-bond at various quantum energy levels, and with sufficient cooling time they will rearrange at the minimum energy state to form a perfect crystal. The distribution of energy levels is given by the Boltzmann distribution: as temperature drops, the probability of the presence of high-energy bonds decreases. In searching for an optimal design, local minima and discontinuities are often present in a design surface. SA presents a distinct advantage over other optimization algorithms in its ability to escape from these local minima. Just as high-energy atomic configurations are visited in the actual annealing process in order to eventually reach the minimum energy state, in SA highly non-optimal configurations are visited in order to find otherwise inaccessible global minima. The SA algorithm produces a Markov chain of points in the design space at each temperature, with a monotonically decreasing temperature. A random point is started upon, and the objective function is evaluated at that point. A stochastic perturbation is then made to the parameters of the point to arrive at a proposed new point in the design space, at which the objection function is evaluated as well. If the change in objective function values (Delta)E is negative, the proposed new point is accepted. If (Delta)E is positive, the proposed new point is accepted according to the Metropolis criterion: rho((Delta)f) = exp((-Delta)E/T), where T is the temperature for the current Markov chain. The process then repeats for the remainder of the Markov chain, after which the temperature is decremented and the process repeats. Eventually (and hopefully), a near-globally optimal solution is attained as T approaches zero. Several exciting variants of SA have recently emerged, including Discrete-State Simulated Annealing (DSSA) and Simulated Tempering (ST). The DSSA algorithm takes the thermodynamic analogy one step further by categorizing objective function evaluations into discrete states. In doing so, many of the case-specific problems associated with fine-tuning the SA algorithm can be avoided; for example, theoretical approximations for the initial and final temperature can be derived independently of the case. In this manner, DSSA provides a scheme that is more robust with respect to widely differing design surfaces. ST differs from SA in that the temperature T becomes an additional random variable in the optimization. The system is also kept in equilibrium as the temperature changes, as opposed to the system being driven out of equilibrium as temperature changes in SA. ST is designed to overcome obstacles in design surfaces where numerous local minima are separated by high barriers. These algorithms are incorporated into the optimal design of the traveling-wave tube amplifier (TWTA). The area under scrutiny is the collector, in which it would be ideal to use negative potential to decelerate the spent electron beam to zero kinetic energy just as it reaches the collector surface. In reality this is not plausible due to a number of physical limitations, including repulsion and differing levels of kinetic energy among individual electrons. Instead, the collector is designed with multiple stages depressed below ground potential. The design of this multiple-stage collector is the optimization problem of interest. One remaining problem in SA and DSSA is the difficulty in determining when equilibrium has been reached so that the current Markov chain can be terminated. It has been suggested in recent literature that simulating the thermodynamic properties opecific heat, entropy, and internal energy from the Boltzmann distribution can provide good indicators of having reached equilibrium at a certain temperature. These properties are tested for their efficacy and implemented in SA and DSSA code with respect to TWTA collector optimization.

Radke, Eric M.↗

Simulations of a molecular plasma in collisional-radiative nonequilibrium

A code for the simulation of nonequilibrium plasmas is being developed, with the capability to couple the plasma fluid-dynamics for a single fluid with a collisional-radiative model, where electronic states are treated as separate species. The model allows for non-Boltzmann distribution of the electronic states. Deviations from the Boltzmann distributions are expected to occur in the rapidly ionizing regime behind a strong shock or in the recombining regime during a fast expansion. This additional step in modeling complexity is expected to yield more accurate predictions of the nonequilibrium state and the radiation spectrum and intensity. An attempt at extending the code to molecular plasma flows is presented. The numerical techniques used, the thermochemical model, and the results of some numerical tests are described.

Cambier, Jean-Luc↗

The Power of Pausing: Advancing Understanding of Thermalization in Experimental Quantum Annealers

We investigate alternative annealing schedules on the current generation of quantum annealing hardware (the D-Wave 2000Q), which includes the use of forward and reverse annealing with an- intermediate pause. This work provides new insights into the inner workings of these devices (and quantum devices in general), particular into how thermal effects govern the system dynamics. We show that a pause mid-way through the anneal can cause a dramatic change in the output distribution, and we provide evidence suggesting thermalization is indeed occurring during such a pause. We demonstrate that upon pausing the system in a narrow region shortly after the minimum gap, the probability of successfully finding the ground state of the problem Hamiltonian can be increased by several orders of magnitude. We relate this effect to relaxation (i.e. thermalization) after diabatic and thermal excitations that occur in the region near to the minimum gap. For a set of large-scale problems of up to 500 qubits, we demonstrate that the distribution returned from the annealer very closely matches a (classical) Boltzmann distribution of the problem Hamiltonian, albeit one with a temperature at least 1.5 times higher than the (effective) temperature of the device. Moreover, we show that larger problems are more likely to thermalize to a classical Boltzmann distribution.

Marshall, Jeffrey↗

Effects of soft electron precipitation on the distribution of vibrational energy of N2

The paper investigates the direct effect of soft electron precipitation on the nitrogen vibrational distribution and on the rate coefficient for the ion-atom interchange reaction between O(+) and N2, using a spectrum of the precipitating electrons characteristic of the dayside cusp region. Substantial increases in the nitrogen vibrational temperature and in the rate of the O(+) destruction reaction do not occur unless the flux of incident electrons is as large as 1 trillion per sq cm/sec. For such large fluxes, departures of the vibrational distribution from a Boltzmann distribution have a significant effect on the rate coefficient. Incident fluxes less than 100 billion per sq cm/sec, such as are usually observed, have little direct effect on nitrogen vibration, although the indirect effect resulting from enhanced electron temperatures might be important.

Newton, G. P.↗

Theoretical N2 vibrational distribution in an aurora.

The N2 vibrational distribution in an aurora is investigated. During the auroral bombardment, the vibrational distribution is non-Boltzmann. The deviation from the Boltzmann distribution increases with increasing altitude. Above 200 km, the loss rate of O(+) due to the reaction O(+) + N2 leading to NO(+) + N is increased by a factor of 1.5 when allowance is made for the non-Boltzmann character of the N2 distribution. This increased loss rate persists for 1000-2000 sec after auroral bombardment commences.

Schunk, R. W.↗

A Detailed Level Kinetics Model of NO Vibrational Energy Distributions

Several contemporary problems have pointed to the desirability of a detailed level kinetics approach to modeling the distribution of vibrational energy in NO. Such a model is necessary when vibrational redistribution reactions are insufficient to maintain a Boltzmann distribution over the vibrational energy states. Recent calculations of the rate constant for the first reaction of the Zeldovich mechanism (N2 + O (goes to) NO + N) have suggested that the product NO is formed in high vibrational states. In shock layer flowfields, the product NO molecules may experience an insufficient number of collisions to establish a Boltzmann distribution over vibrational states, thus necessitating a level kinetics model. In other flows, such as expansions of high temperature air, fast, near-resonance vibrational energy exchanges with N2 and O2 may also require a level specific model for NO because of the relative rates of vibrational exchange and redistribution. The proposed report will integrate computational and experimental components to construct such a model for the NO molecule.

Sharma, Surendra P.↗

Vibrationally excited nitrogen in stable auroral red arcs and its effect on ionospheric recombination

The time-dependent continuity equations, including diffusion, were solved for the first six energy levels of molecular nitrogen for conditions in the thermosphere corresponding to stable auroral red (SAR) arcs. The results show that molecular nitrogen is excited vibrationally to the degree that the rate constant for the ionospheric loss process, O(+) + N2 yields NO(+) + N, is increased by as much as a factor of 7.6 at F2 region altitudes. It was found that deviations from the energetically equivalent Boltzmann distribution were large, causing the rate constant to be as much as 1.6 times the rate constant calculated for the Boltzmann distribution. These results indicate that SAR arc intensities as small as 58 R can produce noticeable increases in the ionosphere ion-atom interchange reaction rate and hence in the rate of loss of ionospheric electrons. It is suggested that the observed decrease of electron density in the F2 region in SAR arcs can probably be explained by enhanced reaction rates for ion-atom interchange between O(+) and N2 caused by vibrational excitation of molecular nitrogen by electron impact.

Newton, G. P.↗

Processes in relativistic plasmas

The establishment and maintenance of a Boltzmann distribution in particle kinetic energies is investigated for a plasma with theta = KTe/mc-squared much greater than unity, where m is the electron mass. It is shown that thermalization of the electron gas by binary collisions is not sufficiently effective to maintain the equilibrium distribution when other processes that perturb the equilibrium are taken into account. Electron-positron pair production in electron-electron and electron-ion collisions, and perturbations of a Boltzmann distribution by nonthermal processes are evaluated. Thermalization by means of other mechanisms, such as interaction with plasma waves is discussed, and the opacity of a relativistic plasma is computed for Compton scattering, pair production in the fields of electrons and ions, inverse bremsstrahlung, and synchrotron self-absorption.

Gould, R. J.↗

Thermodynamics and statistical mechanics

The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

Source record↗

Lower-hybrid-drift instability and its associated anomalous resistivity in the neutral sheet of earth's magnetotail

A one-dimensional non-Maxwellian model for the steady neutral sheet at the center of the earth's plasma sheet is constructed, and its instability properties are examined with respect to the lower-hybrid-drift wave. It is shown that in the limit of a thin neutral sheet, the distribution of modified Alper and Boltzmann distributions is a more powerful source of free energy than the usual drifting Maxwellian. It is also shown that most regions within the neutral sheet are unstable, and the frequency spectrum of the unstable waves is nearly the same as in the drifting Maxwellian case. The growth rate is found to be enhanced, and the saturation level of the fluctuating field and the anomalous resistivity calculated in the entire sheet are found to be 3 to 4 times larger than those in a Maxwellian sheet.

Pu, Z.-Y.↗

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Liechty, Derek S.↗

A Quantum-Assisted Algorithm for Sampling Applications in Machine Learning

An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact in deep learning and other machine learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggests it will do so with an instance-dependent effective temperature, different from the physical temperature of the device. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this talk, we present a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a kind of restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep learning architectures. We also provide a comparison to k-step contrastive divergence (CD-k) with k up to 100. Although assuming a suitable fixed effective temperature also allows to outperform one step contrastive divergence (CD-1), only when using an instance-dependent effective temperature we find a performance close to that of CD-100 for the case studied here. We discuss generalizations of the algorithm to other more expressive generative models, beyond restricted Boltzmann machines.

Perdomo-Ortiz, Alejandro↗

Laser-induced gas breakdown - Electron cascade.

Development of a theory of electron cascade which takes explicitly into account the electron energy distribution. For the particular case of a Boltzmann distribution, it is shown that the monoenergetic approximation is valid, except for low flux densities (less than 20 MW per sq cm) of the laser beam. It is emphasized that the equilibrium temperature can be calculated easily. When electron-ion inverse bremsstrahlung comes into play, this approximation becomes invalid; there is a pressure below which the cascade cannot develop. Numerical results are presented for model calculations of helium and argon.

De Montgolfier, P.↗

Vertical distribution of vibrational energy of molecular nitrogen in a stable auroral red arc and its effect on ionospheric electron densities

Previous solutions of the problem of the distribution of vibrationally excited molecular nitrogen in the thermosphere have either assumed a Boltzmann distribution and considered diffusion as one of the loss processes or solved for the energy level populations and neglected diffusion. Both of the previous approaches are combined by solving the time dependent continuity equations, including the diffusion process, for the first six energy levels of molecular nitrogen for conditions in the thermosphere corresponding to a stable auroral red arc. The primary source of molecular nitrogen excitation was subexcitation, and inelastic collisions between thermal electrons and molecular nitrogen. The reaction rates for this process were calculated from published cross section calculations. The loss processes for vibrational energy were electron and atomic oxygen quenching and vibrational energy exchange. The coupled sets of nonlinear, partial differential equations were solved numerically by employing finite difference equations.

Newton, G. P.↗