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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Total integral reactive cross sections for F + H2 yielding HF + H - Comparison of converged quantum, quasiclassical trajectory and experimental results

The paper reports converged quantum total integral reactive cross sections for the reaction F + H2 yielding HF + H, for initial rotational states j sub i = 0 and 1, using a time-dependent method. The results are compared to classical results and to the experimental results of Neumark et al. (1985). Strong quantum effects are found in the threshold region for both initial states (i.e., in the dependence of the reaction on initial state for low energies). The classical results agree better with experiment than do the quantum results; this appears to be due to errors in the potential used.

Neuhauser, Daniel↗
DOE OSTI2026

Enhanced quantum efficiency from optical interference in alkali antimonide photocathodes: Modeling and experimental results

We present measurements of enhanced quantum efficiency (QE) in thin film alkali antimonide photocathodes from optical interference in the cathode-substrate multilayer. Modulations in the spectral response are observed over a range of visible wavelengths and are shown to increase the QE by more than a factor of two at specific wavelengths. We present a model describing the QE modulations based on the three step photoemission process incorporating cases of both constant density of states and density functional theory-derived density of states and show that the calculated results are in good agreement with the measurements. Model predictions demonstrate that QE can be enhanced by more than a factor of 5 by optimization of cathode and substrate layer thicknesses. Additionally, these calculations reveal that optical interference can yield higher quantum efficiencies in thin films compared to thick, optically dense films. We model the QE vs excitation wavelength of multiple alkali antimonide compounds at different thicknesses. We then discuss the advantages of this interference effect for electron accelerators.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Stability of superconducting strings

We investigate the stability of superconducting strings as bound states of strings and fermion zero modes at both the classical and quantum levels. The dynamics of these superconducting strings can result in a stable configuration, known as a vorton . We mainly focus on global strings, but the majority of the discussion can be applied to local strings. Using lattice simulations, we study the classical dynamics of superconducting strings and confirm that they relax to the vorton configuration through Nambu-Goldstone boson radiation, with no evidence of over-shooting that would destabilize the vorton. We explore the tunneling of fermion zero modes out of the strings. Both our classical analysis and quantum calculations yield consistent results: the maximum energy of the zero mode significantly exceeds the fermion mass, in contrast to previous literature. Additionally, we introduce a world-sheet formalism to evaluate the decay rate of zero modes into other particles, which constitute the dominant decay channel. We also identify additional processes that trigger zero-mode decay due to non-adiabatic changes of the string configuration. In these decay processes, the rates are suppressed by the curvature of string loops, with exponential suppression for large masses of the final states. We further study the scattering with light charged particles surrounding the string core produced by the zero-mode current and find that a wide zero-mode wavefunction can enhance vorton stability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quasimolecular 𝐽 tet = 3/2 Moments in the Cluster Mott Insulator GaTa 4 ⁢Se 8

Quasimolecular orbitals in cluster Mott insulators provide a route to tailor exchange interactions, which may yield novel quantum phases of matter. Here, we demonstrate the cluster Mott character of the lacunar spinel GaTa 4 Se 8 using resonant inelastic x-ray scattering (RIXS) at the Ta L 3 edge. Electrons are fully delocalized over Ta 4 tetrahedra, forming quasimolecular J tet = 3/2 moments. The modulation of the RIXS intensity as function of the transferred momentum q allows us to determine the cluster wave function, which depends on competing intracluster hopping terms that mix states with different character. This mixed wave function is decisive for the macroscopic properties since it affects intercluster hopping and exchange interactions and furthermore renormalizes the effective spin-orbit coupling constant. The versatile wave function, tunable via intracluster hopping, opens a new perspective on the large family of lacunar spinels and cluster Mott insulators in general.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1978

Acceleration and heating of the solar wind

Some of the competing theories of solar wind acceleration and heating are reviewed, and the observations that are required to distinguish among them are discussed. In most cases what is required is measurement of plasma velocity and temperature and magnetic field, as near the sun as possible and certainly inside 20 solar radii; another critical aspect of this question is determining whether a turbulent envelope exists in this inner region, and if so, defining its properties. Plasma and magnetic observations from the proposed Solar Probe mission would thus yield a quantum jump in our understanding of the dynamics of the solar wind.

Barnes, A.↗
NASA NTRS1993

Stable vacuum UV CCD detectors designed for space flight experiments

Thinned, backside-illuminated, p-channel CCD images are under development which can exploit the surface potential in VUV applications, yielding enhanced quantum efficiency to wavelengths as short as 1100 A. The current goal is production of large-format, 5-micron pixel imagers for spectrographic and imaging VUV spaceflight experiments. Model predictions of the effect of device design on quantum efficiency, well capacity, and crosstalk are presented for such 5-micron-approaching pixel sizes.

Socker, Dennis G.↗
NASA NTRS2002

Limits on the UV Photodecomposition of Carbonates on Mars

The effect of UV (ultraviolet) light on the stability of calcium carbonate in a simulated martian atmosphere was experimentally investigated. Sample cells containing C-13 labeled calcite were irradiated with a Xe arc lamp in 10 mbar of simulated martian atmosphere and a quadrupole mass spectrometer was used to monitor the headspace gases for the production of (13)CO2. We found no experimental evidence of the UV photodecomposition of calcium carbonate in a simulated martian atmosphere. Extrapolating the lower limit of detection of our experimental system to an upper limit of carbonate decomposition on Mars yields a quantum efficiency of 3.5 x 10(exp -8) molecules/photon over the wavelength interval of 190-390 nm and a maximum UV photodecomposition rate of 1.2 x 10(exp -13) kg m(exp -2) s(exp -1) from a calcite surface. The maximum loss of bulk calcite due to this process would be 2.5 nm yr(exp -1). However, calcite is expected to be thermodynamically stable on the surface of Mars and potential UV photodecomposition reaction mechanisms indicate that while calcium carbonate may decompose under vacuum, it would be stable in a CO2 atmosphere. Given the expected stability of carbonate on Mars and our inability to detect carbonate decomposition, we conclude that it is unlikely that the apparent absence of carbonate on the martian surface is due to UV photo decomposition of calcite in the current environment.

Quinn, Richard↗
NASA NTRS2005

The Vision of Human Spaceflight

First, we live in a world where change is the norm, not the exception. The scientific revolution springing from quantum mechanics yielded new understanding of solid state physics leading to stunning advances in computation, communication, and transportation. Two World Wars and one Cold War introduced massive governmental investment in research and development. The unusual pragmatic and classless entrepreneurship of U.S. society promoted commercialization and innovative marketing of new technology. As a result, the 20th Century experienced a constantly accelerating culture of change. Those societies that accepted and embraced the new capabilities dominated commercially and militarily; those that did not fell behind. I remember when there was no color television, when there were no personal computers, when there was no email, when there was no World Wide Web, when there were no cell phones. Now many of us cannot live without these things. Change has become the measure of success. Our children anticipate the future and do not expect it to look like the past. Secondly, our elementary school students are fascinated by dinosaurs, ghosts, and space. Astronauts create excitement. None question that humans will be in space in their future. They see it every week, even every day, in stories on television. To be an astronaut is considered a legitimate ambition. They see space travel to be an adventure just as our grandparents saw exploring Africa or the polar regions to be an adventure into the unknown. Third, we live in a time when our understanding of the space environment makes us realize that the existence of our species is one large impact away from extinction. We understand that our population explosion is changing our home planet in fundamental ways and that wars over terrestrial resources may be less than two generations away. We feel more connected to our space neighborhood than ever before. Many nations of the world are looking outward toward our Moon in an unprecedented way. A lunar space mission will be launched from somewhere every year for the next decade, at least.

Mendell, Wendell↗
DOE OSTI2024

Phonon-mediated quantum efficiency measurement in semiconductors

Accurate quantum efficiency measurement not only provides crucial information for the photovoltaic cell industry but also supports experiments aimed at directly detecting dark matter and elastic neutrino interactions. The dark matter direct searches paradigm has recently expanded to include particles with masses below 1,MeV/c2, where the expected signal in an electron–recoil interaction is approximately in the eV range, just above the energy gap for silicon and germanium. A robust calibration method for ionization signals in this lower energy region is essential. This paper presents a method for measuring quantum efficiency and yield (q/E) in semiconductors using phonon-mediated calorimetry. The Neganov–Trofimov–Luke phonon amplification method in low-temperature semiconductor crystals has been employed to indirectly measure ionization down to single-electron accuracy. Specifically, at zero bias, the phonon readout directly quantifies the total energy deposited within the detector, independent of the ionization yield. This eliminates a significant source of systematic uncertainty in quantum efficiency estimates associated with total energy uncertainty. The paper includes results from an updated ionization efficiency measurement in a germanium detector.

Physics↗
DOE OSTI2024

Cadmium-Free QD Building Blocks for Human Centric Lighting

This project developed Cd-free quantum dot (QD) downconverters for efficacious human-centric lighting (HCL) light emitting diode (LED) devices. Solid state HCL devices address the lack of light in the cyan wavelength region (460-490 nm) in white LEDs by enhancing the melanopic daylight efficacy ratio (MDER) value. MDER is a metric that indicates the degree to which artificial lighting stimulates nonvisual biological processes in the retina responsible for regulating circadian rhythms compared with natural lighting. The peak sensitivity of melanopsin in the retina is at 479 nm, therefore artificial lighting which can fill the well-known “cyan gap” may improve human health. Due to the Restriction of Hazardous Substances (RoHS) regulations, cadmium-free core/shell/shell QDs are the primary targets for low toxicity, tunable downconverters. Cyan- and red-emitting core/shell/shell QDs were implemented in LED devices toward achieving a brightness of 210 lm/W at 4000 K, CRI 90, and MDER > 0.7. Synthetic development of Cd-free materials yielded cyan InP/ZnS QDs with a photoluminescence quantum yield (PLQY) of ~60% between 480-490 nm, and red InP/ZnSe/(ZnSeS)/ZnS QDs reaching ~80% PLQY at 620-630 nm. We successfully demonstrated that the inclusion of cyan QDs increased the MDER value to ≥0.7, but the brightness of the HCL LED devices was hindered due to low PLQY values. However, upon substitution of the Cd-free cyan QD with a low-Cd QD with >90% PLQY, brightness improved by 25% over the Cd-free device to 179 lm/W. Despite the technical obstacles remaining toward improving emission characteristics and stability of QDs under high flux, we have confirmed the promise of narrow, tunable QD emitters in SSL packages toward the goal of healthy, human-centric lighting.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

From Quantum Time to Manifestly Covariant QFT: On the Need for a Quantum-Action-Based Quantization

In quantum time (QT) schemes, time is promoted to a degree of freedom, allowing Lorentz covariance to be made explicit for single particles. We ask whether this can be lifted to QFT so that Lorentz covariance becomes manifest at the Hilbert-space level, rather than being hidden as in the standard canonical formulation. We address this question by proposing a second-quantized approach in which the elementary particle is the QT particle itself, leading naturally to the notion of spacetime field algebras and of quantum action. We show, however, that a naive many-body construction runs into inconsistencies. To pinpoint their origin we introduce a classical counterpart of the second-quantized formalism, spacetime classical mechanics (SCM), and prove a no-go theorem: Dirac quantization of SCM collapses back to standard QFT and therefore hides covariance. We circumvent this problem by presenting a quantum-action-based quantization that yields a spacetime version of quantum mechanics (SQM), making covariance manifest for (interacting) QFTs. Finally, we show that this resolution is tied to a genuine spacetime generalization of the notion of a quantum state, required by causality and closely connected to recent “states over time” proposals and, in dS/CFT–motivated settings, to microscopic notions of timelike entanglement and emergent time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2001

Quantum Mechanical Study of Nanoscale MOSFET

The steady state characteristics of MOSFETS that are of practical Interest are the drive current, off-current, dope of drain current versus drain voltage, and threshold voltage. In this section, we show that quantum mechanical simulations yield significantly different results from drift-diffusion based methods. These differences arise because of the following quantum mechanical features: (I) polysilicon gate depletion in a manner opposite to the classical case (II) dependence of the resonant levels in the channel on the gate voltage, (III) tunneling of charge across the gate oxide and from source to drain, (IV) quasi-ballistic flow of electrons. Conclusions dI/dV versus V does not increase in a manner commensurate with the increase in number of subbands. - The increase in dI/dV with bias is much smaller then the increase in the number of subbands - a consequence of bragg reflection. Our calculations show an increase in transmission with length of contact, as seen in experiments. It is desirable for molecular electronics applications to have a small contact area, yet large coupling. In this case, the circumferential dependence of the nanotube wave function dictates: - Transmission in armchair tubes saturates around unity - Transmission in zigzag tubes saturates at two.

Svizhenko, Alexei↗
NASA NTRS1976

Adequacy of classical inverse bremsstrahlung theory for low-temperature plasmas

The authors examine those plasma heating conditions under which a theory more accurate than the classical inverse bremsstrahlung theory should be used to predict absorption coefficients when laser energy is injected into the plasma. A correlation plot for measured absorption coefficients at three laser wavelengths versus those calculated by quantum mechanical theory yields a correlation coefficient for the least-squares fit of 0.994. A plot of the ratio of the quantum-mechanically corrected electron ion inverse bremsstrahlung absorption coefficient to that calculated by classical methods versus plasma temperature shows that at around 20 eV and above the differences between classical and quantum predictions are negligible, but significant errors could arise from application of classical theories to lower-temperature plasmas. Some recent experiments in the literature are shown to be worthy of reinterpretation in this light.

Billman, K. W.↗
NASA NTRS2002

A Time-Dependent Quantum Dynamics Study of the H2 + CH3 yields H + CH4 Reaction

We present a time-dependent wave-packet propagation calculation for the H2 + CH3 yields H + CH4 reaction in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probability for different initial rotational-vibrational states are presented in this study. The cumulative reaction probability (CRP) is obtained by summing over initial-state-selected reaction probability. The energy-shift approximation to account for the contribution of degrees of freedom missing in the 6D calculation is employed to obtain an approximate full-dimensional CRP. Thermal rate constant is compared with different experiment results.

Wang, Dunyou↗
NASA NTRS1992

Photon number squeezed states in semiconductor lasers

Electromagnetic fields, with the noise on one quadrature component reduced to below the quantum mechanical zero-point fluctuation level and the noise on the other quadrature component enhanced to above it, are currently of great interest in quantum optics because of their potential applications to various precision measurements. Such squeezed states of light are usually produced by imposing nonlinear unitary evolution on coherent (or vacuum) states. On the other hand, squeezed states with reduced photon number noise and enhanced phase noise are generated directly by a constant current-driven semiconductor laser. This is the simplest scheme for the generation of nonclassical light, and so far it has yielded the largest quantum noise reduction. The mutual coupling between a lasing junction and an external electrical circuit provides opportunities for exploring the macroscopic and microscopic quantum effects in open systems.

Yamamoto, Yoshihisa↗
DOE OSTI2026

Scattering Processes from Quantum Simulation Algorithms for Scalar Field Theories

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve these improvements through two optimizations. First, we consider a finite volume approach for estimating the elements of the S-matrix. This approach is appropriate in general for 1+1D and for certain low-energy elastic collisions in higher dimensions. Second, we implement our approach using a series of different fault-tolerant simulation algorithms for Hamiltonians formulated both in the field occupation basis and field amplitude basis. Our algorithms are based on either second-order Trotterization or qubitization. The cost of Trotterization in occupation basis scales as O ( λ N 7 | Ω | 3 / ( M 5 / 2 ϵ 3 / 2 ) ) where λ is the coupling strength, N is the occupation cutoff, | Ω | is the volume of the spatial lattice, M is the mass of the particles and ϵ is the uncertainty in the energy calculation used for the S -matrix determination. Qubitization in the field basis scales as O ( | Ω | 2 ( k 2 Λ + k M 2 ) / ϵ ) , where k is the cutoff in the field and Λ is a scaled coupling constant. We find in both cases that the bounds suggest physically meaningful simulations can be performed using on the order of 4 × 10 6 physical qubits and 10 12 T -gates which corresponds to roughly one day on a superconducting quantum computer with surface code and a cycle time of 100 ns. This places the simulation of scalar field theory within striking distance of the gate counts for the best available chemistry simulation results.

Hardy, Andrew [Toronto U.] (ORCID:0000000235817382↗
NASA NTRS1971

The application of signal detection theory to optics

The restoration of images focused on a photosensitive surface is treated from the standpoint of maximum likelihood estimation, taking into account the Poisson distributions of the observed data, which are the numbers of photoelectrons from various elements of the surface. A detector of an image focused on such a surface utilizes a certain linear combination of those numbers as the optimum detection statistic. Methods for calculating the false alarm and detection probabilities are proposed. It is shown that measuring noncommuting observables in an ideal quantum receiver cannot yield a lower Bayes cost than that attainable by a system measuring only commuting observables.

Helstrom, C. W.↗