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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Development of Parameters for the Particle Size Distribution of TATB

Laser light scattering (LLS), manual counting of scanning electron microscopy (SEM) images, and reduction of SEM images using ImageJ (open source program) to determine Feret (caliper) diameters were applied to determine particle size distribution (PSD) of four preparations of 1,3,5‐triamino‐2,4,6‐trinitrobenzene (TATB) and yttria‐stabilized zirconia (YSZ), an SEM certified standard. Mie theory was used to reduce the LLS data. The spherical nature of the YSZ made it a good candidate for LLS. Variations in n , the refractive index, and iκ, the imaginary component, produced very little change in the PSD. However, changing the carrier liquid from H 2 O to a 40% aqueous sucrose solution, thereby changing the carrier refractive index, n 0 , substantially affected the PSD. The Mie complex refractive indices for the YSZ were n = 2.200, iκ = 0.100, with a 40% aqueous sucrose solution, n 0 = 1.400. The triclinic crystal structure of TATB made refractive index determinations more difficult, so a study was conducted varying Mie parameters and comparing them to the same data reduced using the Fraunhofer theory. Changing the n and κ parameters produced PSD with a small concentration of particles less than 1 µm in size or none in this range. SEM images, Feret data, manual counting, and Fraunhofer data reduction indicate particles less than 1 µm are probably < 5% in concentration. The final selection of Mie parameters for TATB was n = 2.283, iκ = 0.1, and suspension medium, n 0 = 1.330. Finally, computations, using density functional theory produced similar parameters.

Feret diameter↗
NASA NTRS1973

Variations of the relative abundances of He, (C,N,O) and Fe-group nuclei in solar cosmic rays and their relationship to solar particle acceleration

Measurements of the flux of helium nuclei in the 24 January 1971 event and of helium and (C,N,O) nuclei in the 1 September 1971 event are combined with previous measurements to obtain the relative abundances of helium, (C,N,O), and Fe-group nuclei in these events. These data are then summarized together with previously reported results to show that, even when the same detector system using a dE/dx plus range technique is used, differences in the He/(C,N,O) value in the same energy/nucleon interval are observed in solar cosmic ray events. Further, when the He/(C,N,O) value is lower the He/(Fe-group nuclei) value is also systematically lower in these large events. When solar particle acceleration theory is analyzed, it is seen that the results suggest that, for large events, Coulomb energy loss probably does not play a major role in determining solar particle composition at higher energies (10 MeV). The variations in multicharged nuclei composition are more likely due to partial ionization during the acceleration phase.

Bertsch, D. L.↗
NASA NTRS1988

The equation of state for stellar envelopes. II - Algorithm and selected results

A free-energy-minimization method for computing the dissociation and ionization equilibrium of a multicomponent gas is discussed. The adopted free energy includes terms representing the translational free energy of atoms, ions, and molecules; the internal free energy of particles with excited states; the free energy of a partially degenerate electron gas; and the configurational free energy from shielded Coulomb interactions among charged particles. Internal partition functions are truncated using an occupation probability formalism that accounts for perturbations of bound states by both neutral and charged perturbers. The entire theory is analytical and differentiable to all orders, so it is possible to write explicit analytical formulas for all derivatives required in a Newton-Raphson iteration; these are presented to facilitate future work. Some representative results for both Saha and free-energy-minimization equilibria are presented for a hydrogen-helium plasma with N(He)/N(H) = 0.10. These illustrate nicely the phenomena of pressure dissociation and ionization, and also demonstrate vividly the importance of choosing a reliable cutoff procedure for internal partition functions.

Mihalas, Dimitri↗
NASA NTRS1977

Feature discrimination and detection probability in synthetic aperture radar imaging system

Images obtained using synthetic aperture radar (SAR) systems can only represent the intensities of resolution cells in the scene of interest probabilistically since radar receiver noise and Rayleigh scattering of the transmitted radiation are always present. Consequently, when features to be identified differ only by their contribution to the mean power of the radar return, discrimination can be treated by detection theory. In this paper, we develop a 'sufficient statistic' for discriminating between competing features and compare it with some suboptimal methods frequently used. Discrimination is measured by probability of detection error and depends on number of samples or 'looks', signal-to-noise ratio (SNR), and ratio of mean power returns from the competing features. Our results show discrimination and image quality rapidly saturate with SNR (very small improvement for SNR not less than 10 dB) but continue to improve with increasing number of looks.

Lipes, R. G.↗
NASA NTRS1974

Vibration-translation energy transfer in anharmonic diatomic molecules. 1: A critical evaluation of the semiclassical approximation

The semiclassical approximation is applied to anharmonic diatomic oscillators in excited initial states. Multistate numerical solutions giving the vibrational transition probabilities for collinear collisions with an inert atom are compared with equivalent, exact quantum-mechanical calculations. Several symmetrization methods are shown to correlate accurately the predictions of both theories for all initial states, transitions, and molecular types tested, but only if coupling of the oscillator motion and the classical trajectory of the incident particle is considered. In anharmonic heteronuclear molecules, the customary semiclassical method of computing the classical trajectory independently leads to transition probabilities with anomalous low-energy resonances. Proper accounting of the effects of oscillator compression and recoil on the incident particle trajectory removes the anomalies and restores the applicability of the semiclassical approximation.

Mckenzie, R. L.↗
NASA NTRS1975

Vibration-translation energy transfer in anharmonic diatomic molecules. I - A comparative evaluation of the semiclassical approximation

The semiclassical approximation (quantum oscillator, classical path) is applied to anharmonic diatomic oscillators in excited initial states. Multistate numerical solutions giving the vibrational transition probabilities for collinear collisions with an inert atom are compared with equivalent, exact quantum-mechanical calculations. Several symmetrization methods are shown to correlate accurately the predictions of both theories for all initial states, transitions, and molecular types tested, but only if coupling of the oscillator motion and the classical trajectory of the incident particle is considered. In anharmonic heteronuclear molecules, the customary semiclassical method of computing the classical trajectory independently leads to transition probabilities with anomalous low-energy resonances. Proper accounting of the effects of oscillator compression and recoil on the incident particle trajectory removes the anomalies and restores the applicability of the semiclassical approximation.

Mckenzie, R. L.↗
DOE OSTI2025

Nonperturbative quantum gravity in a closed Lorentzian universe

We study how meaningful physical predictions can arise in nonperturbative quantum gravity in a closed Lorentzian universe. In such settings, recent developments suggest that the quantum gravitational Hilbert space is one-dimensional and real for each α-sector, as induced by spacetime wormholes. This appears to obstruct the conventional quantum-mechanical prescription of assigning probabilities via projection onto a basis of states. While previous approaches have introduced external observers or augmented the theory to resolve this issue, we argue that quantum gravity itself contains all the necessary ingredients to make physical predictions. We demonstrate that the emergence of classical observables and probabilistic outcomes can be understood as a consequence of partial observability: physical observers access only a subsystem of the universe. Tracing out the inaccessible degrees of freedom yields reduced density matrices that encode classical information, with uncertainties exponentially suppressed by the environment’s entropy. We develop this perspective using both the Lorentzian path integral and operator formalisms and support it with a simple microscopic model. Our results show that quantum gravity in a closed universe naturally gives rise to meaningful, robust predictions without recourse to external constructs.

AdS-CFT Correspondence↗
NASA NTRS1975

Harmonic generation at high field strengths - Frequency shifts and saturation phenomena

Optical harmonic generation and mixing in the gas phase has been proposed as a technique for the generation of coherent radiation in the vacuum ultraviolet and soft X-ray spectral region. At the high field strengths required by these processes the interaction between atoms and the electromagnetic field shows intensity-dependent resonances. In this paper we modify harmonic generation theory to include the effect of these frequency shifts. Closed-form expressions for generated dipole moment, absorption probability, and coherence length are presented. The most important consequences of frequency shifts on resonantly enhanced processes are that the pump laser must be tuned away from the small-field resonance frequency, that the conversion efficiency may saturate, and that the dispersion of the medium may change sign. As an example, the generation of 198-A radiation by a five-photon mixing process in Li(+) is considered.

Stappaerts, E. A.↗
NASA NTRS1985

A theory of satellite sweeping

A theory of energetic charged particle absorption by insulating moons is presented that includes gyrophase dependence of the absorption probability when the gyroradius is not small compared to the satellite radius. This effect increases the average lifetime against absorption by factors of approximately 2 to 6 above previous estimates at Saturn. The sweeping lifetime then becomes significantly greater than the strong diffusion lifetime. A rigorous expression for the average lifetime against absorption, appropriate for a drift phase averaged radial diffusion equation, is derived assuming (1) a uniform distribution of gyrocenter equatorial plane crossing points in the sweeping corridor and (2) randomization of gyrophase. The pitch angle and energy dependences of the sweeping lifetime are found to be significantly different from the predictions of previous analytical estimates.

Paonessa, M.↗
NASA NTRS1993

Application of probabilistic analysis/design methods in space programs - The approaches, the status, and the needs

The prospective improvement of probabilistic methods for space program analysis/design entails the further development of theories, codes, and tools which match specific areas of application, the drawing of lessons from previous uses of probability and statistics data bases, the enlargement of data bases (especially in the field of structural failures), and the education of engineers and managers on the advantages of these methods. An evaluation is presently made of the current limitations of probabilistic engineering methods. Recommendations are made for specific applications.

Ryan, Robert S.↗
NASA NTRS2019

Bell Inequality Experiment for a High Brightness Time-Energy Entangled Source

A periodically poled MgO doped LiNbO3 (MgO:LN) non-degenerate photon pair source is utilized for spontaneous parametric down-conversion of 532 nm photons into time-energy entangled pairs of 800 and 1600 nm photons. The entangled photons are separated using previously detailed sorting optics, such that each wavelength is independently directed through one of two modified Mach-Zehnder interferometers also known as a Franson interferometer after which they are fiber-optically guided to high-efficiency photon detectors. Output from the detectors is sent to a high resolution time tagger, where coincidences between the entangled photons are recorded. By varying the length of the long path in one Mach-Zehnder interferometer, it is possible to observe high visibility sinusoidal fringes in the measured coincidence rates (while no variation is seen in single photon detection rates). These fringes due to interference between the photon probability amplitudes are indicative of a violation of the Bell inequality, and confirm inconsistencies with local hidden variable theory for the correlations of the time-energy entangled photon pairs.

time-energy entanglement↗
NASA NTRS2019

Bell Inequality Experiment for a High Brightness Time-Energy Entangled Source

A periodically poled MgO - doped LiNbO3 (MgO:LN) non-degenerate photon pair source is utilized for spontaneous parametric down-conversion of 532-nanometer photons into time-energy entangled pairs of 800- and 1600-nanometer photons. The entangled photons are separated using previously detailed sorting optics, such that each wavelength is independently directed through one of two modified Mach-Zehnder interferometers - also known as a Franson interferometer - after which they are fiber-optically guided to high-efficiency photon detectors. Output from the detectors is sent to a high resolution time tagger, where coincidences between the entangled photons are recorded. By varying the length of the long path in one Mach-Zehnder interferometer, it is possible to observe high visibility sinusoidal fringes in the measured coincidence rates (while no variation is seen in single photon detection rates). These fringes - due to interference between the photon probability amplitudes - are indicative of a violation of the Bell inequality, and confirm inconsistencies with local hidden variable theory for the correlations of the time-energy entangled photon pairs.

Time-Energy Entanglement↗
NASA NTRS1972

Manual control theory applied to air traffic controller-pilot cooperation

Reduced runway separation standards are among the means which have been proposed for increasing airport capacity. The probability of a blunder will dominate the calculation of safe separation standards. Then the determinant of safe system performance will be the system reaction time comprised of the air traffic controller's detection, decision and communication delays, and the response times of the pilot and aircraft in executing a collision avoidance manuever. Estimates of these times, based on existing data, show that the delays ascribable to the human portions of the man-machine system are comparatively unimportant. New developments in radar, computers, and data links will be required to provide any substantial improvement of the existing system, and the goal of 2500 ft of separation may not be achievable.

Graham, D.↗
NASA NTRS1975

Detection of digital FSK using a phase-locked loop

A theory is presented for the design of a digital FSK receiver which employs a phase-locked loop to set up the desired matched filter as the arriving signal frequency switches. The developed mathematical model makes it possible to establish the error probability performance of systems which employ a class of digital FM modulations. The noise mechanism which accounts for decision errors is modeled on the basis of the Meyr distribution and renewal Markov process theory.

Lindsey, W. C.↗
NASA NTRS2004

Product Distribution Theory for Control of Multi-Agent Systems

Product Distribution (PD) theory is a new framework for controlling Multi-Agent Systems (MAS's). First we review one motivation of PD theory, as the information-theoretic extension of conventional full-rationality game theory to the case of bounded rational agents. In this extension the equilibrium of the game is the optimizer of a Lagrangian of the (probability distribution of) the joint stare of the agents. Accordingly we can consider a team game in which the shared utility is a performance measure of the behavior of the MAS. For such a scenario the game is at equilibrium - the Lagrangian is optimized - when the joint distribution of the agents optimizes the system's expected performance. One common way to find that equilibrium is to have each agent run a reinforcement learning algorithm. Here we investigate the alternative of exploiting PD theory to run gradient descent on the Lagrangian. We present computer experiments validating some of the predictions of PD theory for how best to do that gradient descent. We also demonstrate how PD theory can improve performance even when we are not allowed to rerun the MAS from different initial conditions, a requirement implicit in some previous work.

Lee, Chia Fan↗
DOE OSTI2025

Computing Reaction Kinetics with MC-PDFT–OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling

Accurate rate constants are crucial for understanding and optimizing catalytic reactions mediated by enzymes, metalloproteins, and heterogeneous catalysts. These systems frequently present a dual computational challenge. Multiconfigurational reaction sites require multireference techniques for the accurate treatment of the electronic structure, and high activation barriers prevent efficient sampling of unbiased reactive transitions. In this work, we combine multiconfiguration pair-density functional theory (MC-PDFT) as an accurate and efficient multireference electronic structure method with on-the-fly probability-enhanced sampling flooding (OPESf) as an enhanced sampling method capable of accelerating reactive transitions. We demonstrate the approach on the Diels–Alder [4+2] cycloaddition between cis-butadiene and ethene as a reaction characterized by a large activation barrier and multireference character. MC-PDFT–OPESf provides reaction rates in agreement with experiments at a fraction of the computational cost required by conventional unbiased ab initio calculations. Here, we propose MC-PDFT–OPESf as an efficient approach for computing kinetics in strongly correlated molecular systems.

Chemical calculations↗
DOE OSTI2025

Control-Affine Schrödinger Bridge and Generalized Bohm Potential

From a stochastic control perspective, the Schrödinger bridge is a density-valued continuous curve parameterized by time that connects a given pair of initial and terminal probability densities via minimum effort controlled Brownian motion. The control-affine Schrödinger bridge extends this idea to a generic control-affine Itô diffusion, possibly with an additive state cost. Here, in this letter, we recast the necessary conditions of optimality for the control-affine Schrödinger bridge problem as a two point boundary value problem for a quantum mechanical Schrödinger PDE with complex potential. This complex-valued potential is a generalization of the real-valued Bohm potential in quantum mechanics. Our derived potential is akin to the optical potential in nuclear physics where the real part of the potential encodes elastic scattering (transmission of wave function), and the imaginary part encodes inelastic scattering (absorption of wave function). The key takeaway is that the process noise that drives the evolution of probability densities induces an absorbing medium in the evolution of wave function. These results make new connections between control theory and non-equilibrium statistical mechanics through the lens of quantum mechanics.

Markov processes↗
NASA NTRS1971

Bias and spread in EVT performance tests.

Performance tests (error probability measurements) of communications systems characterized by low bit rates and high reliability requirements frequently utilize classical extreme value theory (EVT) to avoid the excessive test times encountered with bit error rate (BER) tests. If the underlying noise is Gaussian or perturbed Gaussian, the EVT error estimates have either excessive bias or excessive variance if an insufficient number of test samples is used. EVT is examined to explain the cause of this bias and spread. Experimental verification is made by testing a known Gaussian source, and procedures that minimize these effects are described. It seems apparent that even under the best of conditions the EVT test results are not particularly better than those of BER tests.

Smith, J. G.↗