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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Mechanical properties and the electronic structure of transition of metal alloys

This interdiscipline research program was undertaken in an effort to investigate the relationship between the mechanical strength of Mo based alloys with their electronic structure. Electronic properties of these alloys were examined through optical studies, and the classical solid solution strengthening mechanisms were considered, based on size and molecular differences to determine if these mechanisms could explain the hardness data.

Arsenault, R. J.↗
NASA NTRS2000

Assessment of The Compatibility of Composite Materials With High-Test Hydrogen Peroxide

The compatibility of composite materials with high-test hydrogen peroxide (HTP) was assessed using various chemical and mechanical techniques. Methods included classical schemes combining concentration assay with accelerated aging by means of a heated water bath. Exothermic reactivity was observed using Isothermal Microcalorimetry. Mechanical Properties testing determined degradation of the composite material. Photoacoustic Infrared Spectroscopy was used to monitor chemical alteration of the resin matrix. Other materials were examined including some polymers and metals.

Gostowski, Rudy↗
NASA NTRS1992

Computed unsteady flows of airfoils at high incidence

The flow over an airfoil at an angle of attack above the static stall angle would ordinarily be massively separated. Under dynamic conditions, the onset of stall can be delayed to an angle, depending on the type of unsteadiness, much higher than that for static stall. The stall onset mechanisms under dynamic conditions are unclear. Due to extreme difficulties involved, experimental investigations, so far, have provided insufficient information about the flow field for the identification of the onset mechanisms. A course of classical boundary layer analysis augmented with numerical experiments and measured data is chosen here instead, with the hope that the identification of onset mechanisms can be more systematic and quantitative.

Fung, K.-Y.↗
DOE OSTI2021

Mechanical quantum sensing in the search for dark matter

Numerous astrophysical and cosmological observations are best explained by the existence of dark matter, a mass density which interacts only very weakly with visible, baryonic matter. Here, searching for the extremely weak signals produced by this dark matter strongly motivate the development of new, ultra-sensitive detector technologies. Paradigmatic advances in the control and readout of massive mechanical systems, in both the classical and quantum regimes, have enabled unprecedented levels of sensitivity. In this white paper, we outline recent ideas in the potential use of a range of solid-state mechanical sensing technologies to aid in the search for dark matter in a number of energy scales and with a variety of coupling mechanisms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Quantum mechanical out-of-time-ordered-correlators for the anharmonic (quartic) oscillator

Out-of-time-ordered correlators (OTOCs) have been suggested as a means to study quantum chaotic behavior in various systems. In this work, I calculate OTOCs for the quantum mechanical anharmonic oscillator with quartic potential, which is classically integrable and has a Poisson-like energy-level distribution. For low temperature, OTOCs are periodic in time, similar to results for the harmonic oscillator and the particle in a box. For high temperature, OTOCs exhibit a rapid (but power-like) rise at early times, followed by saturation consistent with 2 < x 2 >T < p 2 > T at late times. At high temperature, the spectral form factor decreases at early times, bounces back and then reaches a plateau with strong fluctuations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Full Counting Statistics of Charge in Chaotic Many-Body Quantum Systems

We investigate the full counting statistics of charge transport in U(1)-symmetric random unitary circuits. We consider an initial mixed state prepared with a chemical potential imbalance between the left and right halves of the system and study the fluctuations of the charge transferred across the central bond in typical circuits. Using an effective replica statistical mechanics model and a mapping onto an emergent classical stochastic process valid at large on-site Hilbert space dimension, we show that charge transfer fluctuations approach those of the symmetric exclusion process at long times, with subleading t –1/2 quantum corrections. Here, we discuss our results in the context of fluctuating hydrodynamics and macroscopic fluctuation theory of classical nonequilibrium systems and check our predictions against direct matrix-product state calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2016

Laser-Induced Fluorescence Measurements of Energetic Ions in a 100-A LaB6 Hollow Cathode

Increasingly long-duration space missions require a better understanding of the failure mechanisms of hollow cathodes to enable prediction of lifetime. Energetic ions have been measured in the plume of hollow cathodes but the energies are higher than can be explained classically. One of the mechanisms that appears to be contributing to the ion heating is ion acoustic turbulence (IAT), which has been investigated with plasma probes recently at JPL. In this work the ion velocity distribution has been measured using laser-induced fluorescence (LIF) at several high-current operating conditions on the centerline of a 100 A class hollow cathode at JPL. A retarding potential analyzer was (RPA) was used to measure the ion energy profile in the far plume and a Langmuir probe was used to measure electron temperature and plasma potential fluctuations. RPA energies are shown to correlate with the values measured by LIF. The ion temperature is shown to increase with distance downstream of the cathode. A parametric study of the ion heating as a function of discharge current and cathode flow rate was performed. It was found that for increasing current the ion temperature evolution did not vary even though the wave IAT wave energy increased. The effect of flow rate was more pronounced, with higher values reducing both ion temperature and wave energy linearly. These results indicate that IAT is at least partially responsible for energetic ion production in the hollow cathode plume.

Dodson, Christopher A.↗
NASA NTRS1972

Classical laser.

In this paper a completely classical model for laser action is discussed. An active medium consisting of classical anharmonic oscillators interacts with a classical electromagnetic field in a resonant cavity. Comparison with the case of a medium consisting of harmonic oscillators shows the significance of nonlinearities for producing self-sustained oscillations in the radiation field. The results for the classical model are found to be similar to those for a semiclassical model of the ammonia-beam maser. The conclusion is that laser action is not intrinsically a quantum-mechanical effect. The classical-laser theory as given in this paper can also be applied to the case of the electron-cyclotron maser.

Borenstein, M.↗
DOE OSTI2023

Unconventional skyrmions in an interfacial frustrated triangular lattice

Magnetic skyrmions are spin topological textures of potential interest in spintronics-related data storage and processing devices. Here, in this work, we show the emergence of unconventional skyrmions in a geometrically frustrated triangular lattice on an inversion-symmetry-breaking two-dimensional electron gas substrate. Starting with a classical double-exchange mechanism, this generic interface induces exotic skyrmionic and unique noncoplanar magnetic states not observed in the equivalent square lattice interface. We study the model by deriving an effective spin Hamiltonian. Large scale classical Monte Carlo simulations provide a quantitative evidence for the emergence of these exotic magnetic states. We found that these chiral magnetic states exhibit a substantial and nonzero topological Hall conductivity. As potential material candidates, we propose Cr/MoS 2 , Fe/MoS 2 , and Fe/WSe 2 interfaces because they have the requisite underlying triangular lattice structures and large spin-orbit coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Request for Information: Access to Quantum Systems

Quantum science and technology is a focal point of research at Lawrence Livermore National Laboratory (LLNL). Quantum-coherent devices offer the potential for unprecedented precision in sensing and the ability to directly simulate complex quantum phenomena that have no known efficient classical algorithms. Thus, development and implementation of quantum technologies is expected to have a significant impact on our ability to address some of the most complex national security problems. LLNL maintains projects involving a broad spectrum of Quantum Information Science (QIS) research activities including investigating sources of decoherence, the 3DQ microscope, studies into quantum interconnects, 3-D printed ion traps, fusion energy and nuclear physics simulations, modeling for data-starved environments, and quantum sensing, including accelerometry and timing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1974

Semiclassical S-matrix theory of vibrationally inelastic collisions between two diatomic molecules

We derive a semiclassical S matrix for vibrationally inelastic collisions between two diatomic molecules, assuming a collinear geometry. Our theory incorporates a quantum mechanical superposition principle with classical dynamics and, as such, is an extension of the atom-diatomic molecule theory of Miller. The several approximations to the S matrix differ in the complexity with which the interference between various classical trajectories is treated. We report numerical calculations for H2-D2 and D2-D2 collisions based on two different interaction potentials. The cruder approximations yield transition probabilities which agree with exact quantum mechanical results to within a factor of 2. More sophisticated approximations to the S matrix yield excellent quantitative agreement with the quantum calculations.

Cohen, S. C.↗
DOE OSTI2022

On the effect of mixing-driven vaporization in a homogeneous relaxation modeling framework

The homogeneous relaxation model (HRM) is one of the most widely used models to describe the liquid–gas phase transition in multiphase flows due to the occurrence of cavitation. However, in its original formulation, the HRM does not account for the presence of ambient gas species, which generally limits its applicability to the injector's internal flow where ambient gases are negligible. In this work, a mixing-driven vaporization (MDV) model was developed to extend the capability of the HRM in handling the mixing effect in the regions external to the nozzle, where vapor–liquid equilibrium for multi-species mixtures of fuel and ambient gas is considered. Herein, to assess the model performance, simulations of the Engine Combustion Network's Spray G injector were performed with the HRM and the MDV model under both flash-boiling and evaporating conditions. It was found that the MDV model led to a better match against x-ray measurements of fuel density in the near-nozzle region. In contrast to the HRM, the MDV model was able to reproduce the vaporization process in the mixing zone at the edge of the fuel jet, which aligns with the expected physics. This resulted in substantial differences in the prediction of other flow characteristics such as mixture temperature and pressure. Furthermore, this work demonstrates that evaporation timescales have a considerable effect on the MDV model's predictions, as shown by a parametric study in which a time factor was introduced to mimic the effect of different timescales due to different phase change mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2016

Comparison of Quantum Mechanical and Empirical Potential Energy Surfaces and Computed Rate Coefficients for N2 Dissociation

Physics-based modeling of hypersonic flows is predicated on the availability of chemical reaction rate coefficients and cross sections for the collisional processes. This approach has been built around the use of quantum mechanical calculations to describe the interaction between the colliding particles. In this approach a potential energy surface (PES) is computed by solving the electronic Schrödinger equation and collision cross sections are determined for that PES using classical, semiclassical or quantum mechanical scattering methods. The rate coefficients are computed by integrating the thermally weighted cross sections. State-to-state rate coefficients are determined by only integrating over a thermal distribution of collisional energies. Finally, thermal rate coefficients are determined by summation of the state-to-state rate coefficients for reactions of molecules in all relevant ro-vibrational energy levels. If the flow is in thermal non-equilibrium, the translational, vibrational and rotational energy modes can be represented in different ways: three unique temperatures can be used to describe the distributions, the populations of individual ro-vibrational energy levels can be determined by solving the Master Equation, or through the use of direct simulation in particle-based Monte Carlo sampling. The PES-to-rate coefficient approach had been proposed and attempted in the early days of digital computing, but it is only in the last 15 years that computer hardware and software have been up to the task of calculating accurate interatomic and intermolecular potentials.

Jaffe, Richard L.↗
DOE OSTI2021

Unitary representation of the Poincaré group for classical relativistic dynamics

We give a unitary irreducible representation of the proper Poincaré group that leads to an operational version of the classical relativistic dynamics of a massive spinless particle. Unlike quantum mechanics, in this operational theory there is no uncertainty principle between position and momentum. It will be shown that the theory contains the Koopman–von Neumann formalism as a particular case, and an explicit connection with relativistic Hamiltonian mechanics will be given.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Photon pumping in a weakly-driven quantum cavity–spin system

Highlights: • We study photon frequency conversion in a driven spin coupled to a cavity mode. • Quantized frequency conversion is excpected in the strong-drive adiabatic limit. • A new photon pumping effect is established in the accessible weak drive regime. • Pumping is linked to the delocalization of the corresponding Floquet states. • Quantum coherence is preserved in both the strong and ultraweak-drive limits. We investigate the photon pumping effect in a topological model consisting of a periodically driven spin-1/2 coupled to a quantum cavity mode out of the adiabatic limit. In the strong-drive adiabatic limit, a quantized frequency conversion of photons is expected as the temporal analog of the Hall current. We numerically establish a novel photon pumping phenomenon in the experimentally accessible nonadiabatic driving regime for a broad region of the parameter space. The photon frequency conversion efficiency exhibits strong fluctuations and high efficiency that can reach up 80% of the quantized value for commensurate frequency combinations. We link the pumping properties to the delocalization of the corresponding Floquet states which display multifractal behavior as the result of hybridization between localized and delocalized sectors. Finally we demonstrate that the quantum coherence properties of the initial state are preserved during the frequency conversion process in both the strong and ultra-weak-drive limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Statistical mechanical model for crack growth

Analytic relations that describe crack growth are vital for modeling experiments and building a theoretical understanding of fracture. Upon constructing an idealized model system for the crack and applying the principles of statistical thermodynamics, it is possible to formulate the rate of thermally activated crack growth as a function of load, but the result is analytically intractable. In this report an asymptotically correct theory is used to obtain analytic approximations of the crack growth rate from the fundamental theoretical formulation. These crack growth rate relations are compared to those that exist in the literature and are validated with respect to Monte Carlo calculations and experiments. The success of this approach is encouraging for future modeling endeavors that might consider more complicated fracture mechanisms, such as inhomogeneity or a reactive environment.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fracture mechanisms of sodium silicate glasses

Reactive classical molecular dynamics simulations of sodium silicate glasses, xNa 2 O–(100 – x)SiO 2 (x = 10–30), under quasi-static loading, were performed for the analysis of molecular scale fracture mechanisms. Mechanical properties of the sodium silicate glasses were consistent with experimentally reported values, and the amount of crack propagation varied with reported fracture toughness values. The most crack propagation occurred in NS20 systems (20-mol% Na 2 O) compared with the other simulated compositions. Dissipation via two mechanisms, the first through sodium migration as a lower activation energy process and the second through structural rearrangement as a higher activation energy process, was calculated and accounted for the energy that was not stored elastically or associated with the formation of new fracture surfaces. Here, a correlation between crack propagation and energy dissipation was identified, with systems with higher crack propagation exhibiting less energy dissipation. Sodium silicate glass compositions with lower energy dissipation also exhibited the most sodium movement and structural rearrangement within 10 Å of the crack tip during loading. Therefore, high sodium mobility near the crack tip may enable energy dissipation without requiring formation of structural defects. Therefore, the varying mobilities of the network modifiers near crack tips influence the brittleness and the crack growth rate of modified amorphous oxide systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An analytic approach to quasinormal modes for coupled linear systems

Quasinormal modes describe the ringdown of compact objects deformed by small perturbations. In generic theories of gravity that extend General Relativity, the linearized dynamics of these perturbations is described by a system of coupled linear differential equations of second order. We first show, under general assumptions, that such a system can be brought to a Schrödinger-like form. We then devise an analytic approximation scheme to compute the spectrum of quasinormal modes. We validate our approach using a toy model with a controllable mixing parameter ε and showing that the analytic approximation for the fundamental mode agrees with the numerical computation when the approximation is justified. The accuracy of the analytic approximation is at the (sub-) percent level for the real part and at the level of a few percent for the imaginary part, even when ε is of order one. Our approximation scheme can be seen as an extension of the approach of Schutz and Will [1] to the case of coupled systems of equations, although our approach is not phrased in terms of a WKB analysis, and offers a new viewpoint even in the case of a single equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗