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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Finite-temperature many-body perturbation theory in the canonical ensemble

Benchmark data are presented for the zeroth- through third-order many-body perturbation corrections to the electronic Helmholtz energy, internal energy, and entropy in the canonical ensemble in a wide range of temperature. They are determined as numerical λ-derivatives of the respective quantities computed by thermal full configuration interaction with a perturbation-scaled Hamiltonian, $\hat{H} = \hat{H}_0 + λ\hat{V}$. Sum-over-states analytical formulas for up to the third-order corrections to these properties are also derived as analytical λ-derivatives. These formulas, which are verified by exact numerical agreement with the benchmark data, are given in terms of the Hirschfelder–Certain degenerate perturbation energies and should be valid for both degenerate and nondegenerate reference states at any temperature down to zero. Further, the results in the canonical ensemble are compared with the same in the grand canonical ensemble.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Intrinsic correlations among characteristics of neutron-rich matter imposed by the unbound nature of pure neutron matter

The unbound nature of pure neutron matter (PNM) requires intrinsic correlations between the symmetric nuclear matter (SNM) EOS parameters (incompressibility K 0 , skewness J 0 and kurtosis I 0 ) and those (slope L, curvature K sym and skewness J sym ) characterizing the symmetry energy independent of any nuclear many-body theory. We investigate these intrinsic correlations and their applications in better constraining the poorly known high-density behavior of nuclear symmetry energy. Several novel correlations connecting the characteristics of SNM EOS with those of nuclear symmetry energy are found. In particular, at the lowest-order of approximations, the bulk parts of the slope L, curvature K sym and skewness J sym of the symmetry energy are found to be L ≈ K 0 /3, K sym ≈ LJ 0 /2K 0 and J sym ≈ I 0 L/3K 0 , respectively. High-order corrections to these simple relations can be written in terms of the small ratios of high-order EOS parameters. The resulting intrinsic correlations among some of the EOS parameters reproduce very nicely their relations predicted by various microscopic nuclear many-body theories and phenomenological models constrained by available data of terrestrial experiments and astrophysical observations in the literature. Here, the unbound nature of PNM is fundamental and the required intrinsic correlations among the EOS parameters characterizing both the SNM EOS and symmetry energy are universal. These intrinsic correlations provide a novel and model-independent tool not only for consistency checks but also for investigating the poorly known high-density properties of neutron-rich matter by using those with smaller uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

The cosmology dependence of galaxy clustering and lensing from a hybrid N -body–perturbation theory model

ABSTRACT We implement a model for the two-point statistics of biased tracers that combines dark matter dynamics from N-body simulations with an analytic Lagrangian bias expansion. Using Aemulus, a suite of N-body simulations built for emulation of cosmological observables, we emulate the cosmology dependence of these non-linear spectra from redshifts z = 0 to z = 2. We quantify the accuracy of our emulation procedure, which is sub-per cent at $k=1\, h \,{\rm Mpc}^{-1}$ for the redshifts probed by upcoming surveys and improves at higher redshifts. We demonstrate its ability to describe the statistics of complex tracer samples, including those with assembly bias and baryonic effects, reliably fitting the clustering and lensing statistics of such samples at redshift z ≃ 0.4 to scales of $k_{\rm max} \approx 0.6\, h\,\mathrm{Mpc}^{-1}$. We show that the emulator can be used for unbiased cosmological parameter inference in simulated joint clustering and galaxy–galaxy lensing analyses with data drawn from an independent N-body simulation. These results indicate that our emulator is a promising tool that can be readily applied to the analysis of current and upcoming data sets from galaxy surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Reservoir Characterization and Techno-Economic Analysis of Enhanced Geothermal and Closed-Loop Systems in the Wattenberg Field of the Denver-Julesburg Basin, Colorado

This report provides details of reservoir characterization and techno-economic analysis for enhanced geothermal systems and closed-loop geothermal systems in the Denver-Julesburg Basin Wattenberg area. The analysis contributes to the Geothermal Limitless Approach to Drilling Efficiencies (GLADE) project, a multi-institutional research initiative focused on advancing geothermal energy development by reducing drilling costs and improving the rate of penetration. The GLADE project brings together national laboratories, academic institutions, and industry partners, including the U.S. Department of Energy's Geothermal Technologies Office, Occidental Petroleum, the National Laboratory of the Rockies (NLR), Los Alamos National Laboratory, Colorado School of Mines, Louisiana State University, Texas A&M University, and several drilling technology companies. As part of this effort, NLR developed and applied slender-body theory modeling tools and the GEOPHIRES simulator to support techno-economic analysis. The slender-body theory wellbore simulator evaluated thermal performance in U-loop, Eavor-type multilateral, and enhanced geothermal system well configurations. Results indicated that an optimized single U-loop design delivers an outlet temperature of 168.8 degrees Celsius,stabilizing at a final outlet temperature of 135.3 degrees Celsius. Heat production also improved significantly, with an average thermal output of 16.9 MWth and a final thermal output of 11.0 MWth. These results provided critical baseline data for selecting optimized systems for techno-economic analysis. Building on these outputs, NLR applied the GEOPHIRES techno-economic simulator to estimate the levelized cost of electricity for both the Eavor multilateral and enhanced geothermal systems. The sensitivity analysis showed that drilling costs exert a particularly strong impact on the levelized cost of electricity of multilateral systems. Therefore, advances in drilling technology and improved drilling rates could yield significant gains in the economic performance of these systems. In this context, the GLADE project directly supports the U.S. Department of Energy's mission to reduce the cost of geothermal energy and accelerate the deployment of next-generation geothermal technologies.

15 GEOTHERMAL ENERGY↗
NASA NTRS1961

Heat-Transfer Measurements at a Mach Number of 4.95 on Two 60 deg Swept Delta Wings with Blunt Leading Edges and Dihedral Angles of 0 deg and 45 deg

An experimental investigation was conducted to evaluate the heat-transfer characteristics of two 60 deg swept delta wings with cylindrical leading edges of 0.25-inch radii and dihedral angles of 0 deg and 45 deg. The tests were conducted at a Mach number of 4.95 and a stagnation temperature of 400 F. The The test-section unit Reynolds number was varied from 1.95 x 10(exp 6) to 12.24 x 10(exp 6) per foot. The results of the investigation indicated that, in a plane normal to the leading edge, the laminar-flow heat-transfer distribution was in good agreement with two-dimensional blunt-body theory. The stagnation-line heat-transfer level could be predicted from two-dimensional blunt-body theory provided the stagnation-line heat-transfer coefficient was assumed to vary as the cosine of the effective sweep. A comparison of the heating rates to the 0 deg dihedral wing (planform sweep of 60 deg) and the 45 deg dihedral wing (planform sweep of 69.3 deg) with equal panel sweep and panel area indicated that the stagnation-line heat-transfer coefficient for the 45 deg dihedral wing could be as much as 40 percent less than the stagnation-line heat-transfer coefficient for the 0 deg dihedral wing at both equal angles of attack and equal lifts. The laminar-flow heat-transfer rate to both wings outside the vicinity of the stagnation line was essentially equal.

Stainback, P. Calvin↗
NASA NTRS1981

Radiative transfer in the surfaces of atmosphereless bodies. I - Theory. II - Interpretation of phase curves

A generalized theory of radiative transfer is presented which includes single and multiple scattering of light in particulate surfaces, and is applicable to both the surfaces of atmosphereless bodies and to laboratory samples. Single scattering is described in terms of the effects of porosity and roughness, and is formulated by means of a probabilistic method. It is shown that, for low-albedo surfaces, the effects of porosity and roughness are separable, the opposition effect is caused by the former, and the slope of the linear part of the phase curve is mainly controlled by the latter. The theory, which is applicable to all albedos and phase angles, may be used in both surface brightness and integrated brightness studies. The limiting case of roughness and volume density tending to zero yields the results of classical radiative transfer theory.

Lumme, K.↗
DOE OSTI2022

Electron–phonon interaction and ultrafast photoemission from doped monolayer MoS 2

We have examined the effect of electron–phonon coupling on photoluminescence and ultrafast response of electron doped monolayer MoS2, using a combination of density functional theory, time dependent density functional theory, and many-body theory. For small doping (~1–3%) of interest here, the electron–phonon coupling parameter is modest (~0.1–0.2) but its effect on the emissive properties and response of the system to femtosecond (fs) laser pulses is striking. We find an ultrafast (fs) relaxation of the electronic subsystem as well as a high fluence of visible light emission induced by electron phonon interaction. Together with high carrier mobility, these features of monolayer MoS2 may be relevant for optoelectronic technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Investigating effects of relativistic kinematics, dimensionality, interactions, and short-range correlations on the ratio of quartic over quadratic nuclear symmetry energies

While ample evidence for the so-called empirical parabolic law of the Equation of State (EOS) of isospin asymmetric nuclear matter (ANM) has been obtained in many studies within both non-relativistic and relativistic nuclear many-body theories using various interactions, it has been unclear if there is any fundamental physics reason for the small quartic symmetry energy compared to the quadratic one even as the ANM approaches pure neutron matter. Within both relativistic and non-relativistic Free Fermi Gas (FFG) models in coordinate spaces of arbitrary dimension d with and without considering Short-Range Correlations (SRC) as well as non-linear Relativistic Mean Field (RMF) models, we study effects of relativistic kinematics, dimensionality, interactions and SRC on the ratio Ψ(ρ) of quartic over quadratic symmetry energies in ANM EOSs. We found that the ratio Ψ(ρ) in the FFG model depends strongly on the dimension d. While it is very small already in the normal 3D space, it could be even smaller in spaces with reduced dimensions for sub-systems of particles in heavy-ion reactions and/or whole neutron stars due to constraints, collectivities and/or symmetries. Here, we also found that the ratio Ψ(ρ) could theoretically become very large only at the ultra-relativistic limit far above the density reachable in neutron stars. On the other hand, nuclear interaction directly and/or indirectly through SRC-induced high-momentum nucleons affect significantly the density dependence of Ψ(ρ) compared to the relativistic FFG model prediction. The SRC affects significantly not only the kinetic energy of symmetric nuclear matter but also the ratio Ψ(ρ) while the relativistic corrections are found negligible. The results may help better understand the EOS of dense neutron-rich matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations

Here, we present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method is easy to implement without altering the GW code, converges rapidly with stochastic parameters, and treats systems of various dimensionality and screening response. Our calculations on a 5.75° twisted MoS 2 bilayer show how large-scale GW methods include geometry relaxations and electronic correlations on an equal basis in structurally nontrivial materials.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Unsteady Newton-Busemann flow theory. Part 2: Bodies of revolution

Newtonian flow theory for unsteady flow past oscillating bodies of revolution at very high Mach numbers is completed by adding a centrifugal force correction to the impact pressures. Exact formulas for the unsteady pressure and the stability derivatives are obtained in closed form and are applicable to bodies of revolution that have arbitrary shapes, arbitrary thicknesses, and either sharp or blunt noses. The centrifugal force correction arising from the curved trajectories followed by the fluid particles in unsteady flow cannot be neglected even for the case of a circular cone. With this correction, the present theory is in excellent agreement with experimental results for sharp cones and for cones with small nose bluntness; gives poor agreement with the results of experiments in air for bodies with moderate or large nose bluntness. The pitching motions of slender power-law bodies of revulution are shown to be always dynamically stable according to Newton-Busemann theory.

Hui, W. H.↗
DOE OSTI2022

Hot and dense matter equation of state probability distributions for astrophysical simulations

We add an ensemble of nuclei to the equation of state for homogeneous nucleonic matter to generate a new set of models suitable for astrophysical simulations of core-collapse supernovae and neutron star mergers. We implement empirical constraints from (i) nuclear mass measurements, (ii) proton-proton scattering phase shifts, and (iii) neutron star observations. Our model is also guided by microscopic many-body theory calculations based on realistic nuclear forces, including the zero-temperature neutron matter equation of state from quantum Monte Carlo simulations and thermal contributions to the free energy from finite-temperature many-body perturbation theory. We ensure that the parameters of our model can be varied while preserving thermodynamic consistency and the connection to experimental or observational data, thus providing a probability distribution of the astrophysical hot and dense matter equation of state. Furthermore, we compare our results with those obtained from other available equations of state. While our probability distributions indeed represent a large number of possible equations of state, we cannot yet claim to have fully explored all of the uncertainties, especially with regard to the structure of nuclei in the hot and dense medium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory

We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM uses the Gutzwiller wave function but does not use the commonly adopted Gutzwiller approximation (GA), which is a major source of inaccuracy. Instead, the theory uses an approximation that is based on the occupation probability of the on-site configurations, rather than approximations that decouple the site-site correlations as used in the GA. We test the theory in the one-dimensional and two-dimensional Hubbard models at various electron densities and find that GCGM reproduces energies and double occupancies in reasonable agreement with benchmark data at a very small computational cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗