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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Strong crystal field splitting and polarization dependence observed in the emission from Eu3+ ions doped into GaN

Eu-doped GaN is a promising material with a wide array of potential applications in optoelectronics, optogenetics, micro displays and quantum computing. While this system has been the subject of intense investigation for the last two decades, several questions still remain about certain aspects of its optical properties, such as the polarization dependence of the optical transitions, and the coupling between the 4f-electron configuration and bulk phonons, as well and the appearance of local phonon modes. Moreover, the origin of certain emission peaks remains under debate in the literature. In this proceeding, the results of a systematic series of “site-selective” photoluminescence measurements are presented, where the properties of pulsed and continuous-wave laser excitation, such as polarization and intensity, were controlled.

Copelman, S↗
DOE OSTI2021

Artificial intelligence “sees” split electrons

Chemical bonds between atoms are stabilized by the exchange-correlation (xc) energy, a quantum-mechanical effect in which “social distancing” by electrons lowers their electrostatic repulsion energy. Kohn-Sham density functional theory (DFT) states that the electron density determines this xc energy, but the density functional must be approximated. Furthermore, this is usually done by satisfying exact constraints of the exact functional (making the approximation predictive), by fitting to data (making it interpolative), or both. Two exact constraints—the ensemble-based piecewise linear variation of the total energy with respect to fractional electron number and fractional electron z-component of spin —require hard-to-control nonlocality. On page 1385 of this issue, Kirkpatrick et al. have taken a big step toward more accurate predictions for chemistry through the machine learning of molecular data plus the fractional charge and spin constraints, expressed as data that a machine can learn.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Splitting phonons: Building a platform for linear mechanical quantum computing

Linear optical quantum computing provides a desirable approach to quantum computing, with only a short list of required computational elements. The similarity between photons and phonons points to the interesting potential for linear mechanical quantum computing using phonons in place of photons. Although single-phonon sources and detectors have been demonstrated, a phononic beam splitter element remains an outstanding requirement. Here we demonstrate such an element, using two superconducting qubits to fully characterize a beam splitter with single phonons. We further use the beam splitter to demonstrate two-phonon interference, a requirement for two-qubit gates in linear computing. In conclusion, this advances a new solid-state system for implementing linear quantum computing, further providing straightforward conversion between itinerant phonons and superconducting qubits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Oxygen Generation via Water Splitting by a Novel Biogenic Metal Ion-Binding Compound

The discovery that MB will couple the oxidation of H 2 O to metal ion reduction and the release of O 2 suggests that methanotrophs expressing MB may be able to maintain their activity under hypoxic/anoxic conditions through the “self-generation” of dioxygen required for the initial oxidation of methane to methanol. Such an ability may be an important factor in enabling methanotrophs to not only colonize the oxic-anoxic interface where methane concentrations are highest but also tolerate significant temporal fluctuations of this interface.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Two-particle multiplets splitting as a guideline in nucleon pairing estimations

The ground state multiplet structure for nuclei over the wide range of mass number A was calculated in δ-approximation and different mass relations for pairing energy were analysed in this work. Correlation between the calculated multiplet structure and experimental data offers a guideline in deciding between mass relations for nucleon pairing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Static and Dynamic Contributions to the Splitting of the Eu{sup 2+} Ground State in SrMoO{sub 4}

The EPR spectrum of an Eu{sup 2+} impurity center in a SrMoO{sub 4} single crystal in the temperature range T = 1.8, 111–300 K has been studied, and the temperature changes in the spin Hamiltonian parameters describing the EPR spectrum of odd europium isotopes have been determined. It is shown that small temperature changes in the diagonal parameters of the spin Hamiltonian (for odd Eu{sup 2+} isotopes) b{sub 2}{sup 0}(T) = b{sub 2}(F) + b{sub 2}(L) and P{sub 2}{sup 0}(T) = P{sub 2}(F) + P{sub 2}(L) are explained by the compensation of spin–phonon contributions b{sub 2}(F) and P{sub 2}(F) by the contributions of the lattice thermal expansion b{sub 2}(L) and P{sub 2}(L). The quantities b{sub 2}(L) and P{sub 2}(L) that are dependent on the static lattice parameters at a given temperature, are estimated in terms of the superposition Newman model. Then, the spin–phonon b{sub 2}(F) and P{sub 2}(F) contributions determined by the lattice ion vibrations are separated. An analysis shows that b{sub 2}{sup 0}(F) and P{sub 2}{sup 0}(F) > 0, b{sub 2}(L) and P{sub 2}(L) < 0, and the temperature behavior of the spin–phonon contribution is well described by G. Pfister’s model of local vibrations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗