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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 1,765 records · Page 98
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DOE OSTI2017

Electron impact excitation of molecular hydrogen

Here, we report the electron impact integrated and differential cross sections for excitation to the b 3 Σ$+\atop{u}$, a 3 Σ$+\atop{g}$, c 3 Π u , B 1 Σ$+\atop{u}$, E, F 1 Σ$+\atop{g}$, C 1 Π u , e 3 Σ$+\atop{u}$, h 3 Σ $+\atop{g}$, d 3 Π u , B'' 1 Σ$+\atop{u}$ , D 1 Π u , B'' 1 Σ$+\atop{u}$, and D' 1 Π u states of molecular hydrogen in the energy range from 10 to 300 eV. Total scattering and total ionization cross sections are also presented. The calculations have been performed by using the convergent close-coupling method within the fixed-nuclei approximation. Detailed convergence studies have been performed with respect to the size of the close-coupling expansion and a set of recommended cross sections has been produced. Significant differences with previous calculations are found. Agreement with experiment is mixed, ranging from excellent to poor depending on the transition and incident energies.

08 HYDROGEN↗
DOE OSTI2020

Radiative capture rates at deep defects from electronic structure calculations

We present a methodology to calculate radiative carrier capture coefficients at deep defects in semiconductors and insulators from first principles. Electronic structure and lattice relaxations are accurately described with hybrid density functional theory. Calculations of capture coefficients provide an additional validation of the accuracy of these functionals in dealing with localized defect states. We also discuss the validity of the Condon approximation, showing that even in the event of large lattice relaxations the approximation is accurate. We test the method on GaAs:VGa-TeAs and GaN:CN, for which reliable experiments are available, and demonstrate very good agreement with measured capture coefficients.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Finite-temperature study of bosons in a two-dimensional optical lattice

We use quantum Monte Carlo (QMC) simulations to study the combined effects of harmonic confinement and temperature for bosons in a two-dimensional(2D) optical lattice. The scale-invariant, finite temperature state diagram is presented for the Bose-Hubbard model in terms of experimental parameters - the particle number, confining potential and interaction strength. To distinguish the nature of the spatially separated superfluid, Mott insulator, and normal Bose liquid phases, we examine the local density, compressibility, superfluid density, and Green's function. In the annular superfluid rings, as the width of the ring decreases, the long-range superfluid correlations start to deviate from an equivalent homogeneous 2D system. At zero temperature, the correlation decay is intermediate between one-dimension and two-dimensions, while at a finite temperature, the decay is similar to that in one-dimension at a much lower temperature. The calculations reveal shortcomings of the local density approximation in describing superfluid properties of trapped bosons. We also present the finite-temperature phase diagram for the homogeneous two dimensional Bose-Hubbard model. We compare our state diagram with the results of a recent experiment at NIST on a harmonically trapped 2D lattice [Phys. Rev. Lett. 105, 110401 (2010)], and identify a finite-temperature effect in the experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Effect of nuclear charge on laser-induced fusion enhancement in advanced fusion fuels

Here, based on the preliminary work done in a previous paper [Phys. Rev. C 105, 054001 (2022)], we investigate the effects of laser-induced fusion rate enhancements of different fusion fuels. In the aforementioned work, which considered $_{1}^{2}$H-$_{1}^{3}$H (D-T) and DHe 3 fusion, it was observed that a larger product of charge numbers of the fusion reactants leads to an increased laser-induced enhancement to the fusion cross section for static external electric fields. We investigate whether this trend persists for DT, DHe 3 , and pB 11 fusion for dynamical electric fields, using the semiclassical approaches of the Wentzel-Kramers-Brillouin method and the imaginary-time method, as well as the Kramers- Henneberger method, and the Volkoff-state approximation. We find that the fusion cross section of pB 11 indeed exhibits the largest relative enhancement for all laser parameters considered and may even surpass the cross section of DT and DHe 3 fusion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Phase structure in a chiral model of nuclear matter

The phase structure of symmetric nuclear matter in the extended Nambu-Jona-Lasinio (ENJL) model is studied by means of the effective potential in the one-loop approximation. It is found that chiral symmetry gets restored at high nuclear density and a typical first-order phase transition of the liquid-gas transition occurs at zero temperature, T=0, which weakens as T grows and eventually ends up with a second-order critical point at T=20 MeV. This phase transition scenario is confirmed by investigating the evolution of the effective potential versus the effective nucleon mass and the equation of state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Relaxation time ansatz and shear and bulk viscosities of gluon matter

Shear and bulk viscosity-to-entropy density ratios are calculated for pure gluon matter in a nonequilibrium mean-field quasiparticle approach within the relaxation time approximation. We study how different approximations used in the literature affect the results for the shear and bulk viscosities. Though the results for the shear viscosity turned out to be quite robust, all evaluations of the shear and bulk viscosities obtained in the framework of the relaxation time approximation can be considered only as rough estimations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Maximum mass of hyperon stars with the Nijmegen ESC08 model

We perform Brueckner-Hartree-Fock calculations of hypernuclear matter employing the recent Nijmegen ESC08 hyperon-nucleon potentials, provide useful parametrizations of the numerical results, and compute the structure of hyperon (neutron) stars within this approach. Very low maximum masses below 1.4 solar masses are found.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Microscopic description of proton scattering at 295 MeV from Pb isotopes

Microscopic analysis of the recently reported 295-MeV-proton scattering data from Pb isotopes and {sup 58}Ni is presented within the framework of the Brueckner-Hartree-Fock theory. The effective interaction (g matrix) has been calculated using three Hamiltonians with Urbana v-14, Argonne v-18, and Ried93 internucleon potentials. The microscopic optical potential is calculated by folding the effective interactions over nucleon density distributions obtained in the relativistic mean field framework. The Argonne v-18 and Ried93 interactions have been used for the first time to calculate the nucleon-nucleus optical potential. The calculations reproduce the experiment well thus revalidating the use of microscopic optical potential in such analyses.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Examining the effect of nonlocality in ( d , n ) transfer reactions

In the last year we have been exploring the effect of the explicit inclusion of nonlocality in (d,p) reactions. The goal of this work is to extend previous studies to (d,n) reactions, which, although similar to (d,p), have specific properties that merit inspection. We apply our methods (both the distorted wave Born approximation and the adiabatic wave approximation) to (d; n) reactions on 16 O, 40 Ca, 48 Ca, 126 Sn, 132 Sn, and 208 Pb at 20 and 50 MeV. As a result, we look separately at the modifications introduced by nonlocality in the final bound and scattering states, as well as the consequences reflected on the differential angular distributions. The cross sections obtained when using nonlocality explicitly are significantly different than those using the local approximation, just as in (d,p). Due to the particular role of Coulomb in the bound state, often we found the effects of nonlocality to be larger in (d,n) than in (d,p). In conclusion, our results con rm the importance of including nonlocality explicitly in deuteron-induced reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Deep-inelastic and quasielastic electron scattering from A = 3 nuclei

We perform a combined analysis of inclusive electron scattering data from $A=3$ nuclei in the deep-inelastic and quasielastic scattering regions, using Monte Carlo analysis methods and the nuclear weak binding approximation to establish the range over which the data can be described within the same theoretical framework. Comparison with quasielastic $^3$He cross sections from SLAC and Jefferson Lab suggests that most features of the $x \gtrsim 1$ data can be reasonably well described in the impulse approximation with finite-$Q^2$ nuclear smearing functions for momentum transfers $Q^2 \gtrsim 1$~GeV$^2$. For the DIS region, we analyze the recent $^3$He to deuterium cross section ratio from the Jefferson Lab E03-103 experiment to explore the possible isospin dependence of the nuclear effects. We discuss the implications of this for the MARATHON experiment, and outline how a Bayesian analysis of $^3$He, $^3$H and deuterium data can robustly determine the free neutron structure function.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

BBGKY kinetic approach for an e{sup -}e{sup +}{gamma} plasma created from the vacuum in a strong laser-generated electric field: The one-photon annihilation channel

In the present work a closed system of kinetic equations is obtained from the truncation of the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy for the description of the vacuum creation of an electron-positron plasma and secondary photons due to a strong laser field. This truncation is performed in the Markovian approximation for the one-photon annihilation channel which is accessible due to the presence of the strong external field. Estimates of the photon production rate are obtained for different domains of laser field parameters (frequency {nu} and field strength E). A huge quantity of optical photons of the quasiclassical laser field is necessary to satisfy the conservation laws of the energy and momentum of the constituents (e{sup -}, e{sup +} and {gamma}) in this channel. Since the number of these optical photons corresponds to the order of perturbation theory, a vanishingly small photon production rate results for the optical region and strongly subcritical fields E<<E{sub c}. In the {gamma}-ray region {nu} < or approx. m the required number of laser photons is small and the production rate of photons from the one-photon annihilation process becomes accessible to observations for subcritical fields E < or approx. E{sub c}. In the infrared region the photon distribution has a 1/k spectrum typical for flicker noise.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Higgs potential in the type II seesaw model

The standard model Higgs sector, extended by one weak gauge triplet of scalar fields with a very small vacuum expectation value, is a very promising setting to account for neutrino masses through the so-called type II seesaw mechanism. In this paper we consider the general renormalizable doublet/triplet Higgs potential of this model. We perform a detailed study of its main dynamical features that depend on five dimensionless couplings and two mass parameters after spontaneous symmetry breaking, and highlight the implications for the Higgs phenomenology. In particular, we determine (i) the complete set of tree-level unitarity constraints on the couplings of the potential and (ii) the exact tree-level boundedness from below constraints on these couplings, valid for all directions. When combined, these constraints delineate precisely the theoretically allowed parameter space domain within our perturbative approximation. Among the seven physical Higgs states of this model, the mass of the lighter (heavier) CP{sub even} state h{sup 0} (H{sup 0}) will always satisfy a theoretical upper (lower) bound that is reached for a critical value {mu}{sub c} of {mu} (the mass parameter controlling triple couplings among the doublet/triplet Higgses). Saturating the unitarity bounds, we find an upper bound m{sub h}{sup 0}<O(0.7-1 TeV), while the upper bound for the remaining Higgses lies in the range of several tens of TeV. However, the actual masses can be much lighter. We identify two regimes corresponding to {mu} > or approx. {mu}{sub c} and {mu} < or approx. {mu}{sub c}. In the first regime the Higgs sector is typically very heavy, and only h{sup 0} that becomes SM-like could be accessible to the LHC. In contrast, in the second regime, somewhat overlooked in the literature, most of the Higgs sector is light. In particular, the heaviest state H{sup 0} becomes SM-like, the lighter states being the CP{sub odd} Higgs, the (doubly) charged Higgses, and a decoupled h{sup 0}, possibly leading to a distinctive phenomenology at the colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Hidden Mn magnetic-moment disorder and its influence on the physical properties of medium-entropy NiCoMn solid solution alloys

In this work, the ab initio Korringa-Kohn-Rostoker method combined with the coherent potential approximation (CPA) was employed to investigate the electronic, magnetic, and transport properties of medium-entropy face-centered-cubic (fcc) NiCoMn solid solution alloys. By comparing the CPA electronic structure with that from supercell calculations, we uncovered an unconventional CPA ground state, which correctly distinguishes two equally populated Mn CPA components—with large spin moments but opposite orientations. Using the spin spiral calculations, we further demonstrated that this ground state is most energetically favorable in the presence of spin noncollinearity, and no significant longitudinal spin fluctuation is observed, justifying the applicability of the Heisenberg model. The finite-temperature magnetism was further studied using different approximations based on the Heisenberg model, and we found the Mn moments to be fully disordered at low temperature due to a small net effective Weiss field on Mn. In addition, the magnetic effect on the electron scattering at finite temperatures was evaluated and compared with other scattering mechanisms. Since the magnetization-induced electron scattering is almost saturated in the ground state, (full) spin disorder only yields a small addition to the resistivity, whereas the thermal displacements increase it modestly. Finally, we elucidate the role of hydrostatic pressure on the magnetic and transport properties. In conclusion, these findings reflect the importance of the magnetic signatures on the physical properties of alloys, and they provide a window into magnetism-controlled electronic structure and energy dissipation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Comparing Power Flow Approximations for Electricity Infrastructure Capacity Expansion Models with High Spatial Resolution

Future electricity system portfolios will require strategic transmission expansions for economically integrating regionally dependent, high-quality renewable resources. In this context, accurate representation of transmission flows in large-scale electricity infrastructure capacity expansion planning problems is important. This paper describes an approximate linearized power flow transmission modeling method for such expansion problems and demonstrates the impact on planning solutions using the National Renewable Energy Laboratory's Regional Energy Deployment System (ReEDS) model. Results are compared against a pipe flow transmission representation, which is used in a number of large-scale planning models. We show that national-scale generation and transmission expansion is not substantially influenced by the power flow methodology but that the pipe flow representation does underestimate required transmission capacity and total system costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Radiative Lifetimes of the Energy Levels of Palladium-like Ions Pr XIV and Nd XV

Radiative lifetimes for the 4d{sup 9}4f, 4d{sup 9}5p, 4d{sup 9}5d, and 4d{sup 9}6s levels in the spectra of palladium-like ions Pr XIV and Nd XV are calculated in the electric-dipole approximation by the intermediate coupling semiempirical method with the use of experimental energy levels available in the literature. The radial integrals of transitions necessary for calculating absolute values of transition probabilities are obtained in the length form with Hartree–Fock functions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Crystal structures and luminescence properties of novel compounds K{sub 4}M{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] (M = Ce, Gd)

Two novel potassium rare earth silicates, obtained by hydrothermal synthesis, have been investigated by X-ray diffraction and described by the general formula K{sub 4}M{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] (M = Ce, Gd). The parameters of the monoclinic K{sub 4}Ce{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] and K{sub 4}Gd{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] cells are, respectively, as follows: a = 26.867(1), 26.6520(2) A; b = 7.4150(2), 7.2854(1) A; c = 14.910(1), 14.8182(1) A; {beta} = 123.52(1) Degree-Sign , 123.46(1) Degree-Sign ; and sp. gr. P2{sub 1}/n. The structures are solved by the charge flipping method and refined in the anisotropic approximation of thermal vibrations for atoms to R = 5.2 and 2.5%, respectively. The compounds under study are crystallized into a new structural type, which is based on two-level [Al{sub 2}Si{sub 8}O{sub 24}] layers, combined into a three-dimensional framework by columns of edge-sharing seven-vertex REE polyhedra. Potassium atoms are located in the framework channels. The spectral luminescence characteristics are determined. The luminescence bands are typical of Gd{sup 3+} and Ce{sup 3+} ions. Upon excitation by light with {lambda}{sub exc} = 246 nm, a band due to the {sup 2}D {yields} {sup 8}F{sub 5/2} transition with {lambda}{sub max} = 430 nm is observed in the spectrum of K{sub 4}Ce{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] and a band related to the {sup 6}P{sub 7/2} {yields} {sup 8}S{sub 7/2} transition with {lambda}{sub max} = 311 nm is observed in the spectrum of K{sub 4}Gd{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}].

36 MATERIALS SCIENCE↗