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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Local wave-number model for inhomogeneous two-fluid mixing

We analyze the local wave-number (LWN) model, a two-point spectral closure model for turbulence, as applied to the Rayleigh-Taylor (RT) instability, the flow induced by the relaxation of a statically-unstable density stratification. Model outcomes are validated against data from 3D simulations of the RT instability. In the first part of the study we consider the minimal model terms required to capture inhomogeneous mixing and show that this version, with suitable model coefficients, is sufficient to capture the evolution of important mean global quantities including mix-width, turbulent mass flux velocity, and Reynolds stress, if the start time is chosen such that the earliest transitions are avoided. However, this simple model does not permit the expected finite asymptote of the density-specific-volume covariance b. In the second part of the study, we investigate two forms for a source term for the evolution of the spectrum of density-specific-volume covariance for the LWN model. The first includes an empirically motivated calibration of the source to achieve the final asymptotic state of constant b. Here, the second form does not require calibration but, in conjunction with enhanced diffusion and drag captures the full evolution of all the dynamical quantities, namely, the mix-layer growth, turbulent mass-flux velocity, Reynolds stress, as well as the desired behavior of b.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Two-point spectral model for variable-density homogeneous turbulence

We present a study of buoyancy-driven variable-density homogeneous turbulence, using a two-point spectral closure model. We compute the time-evolution of the spectral distribution in wave number $k$ of the correlation of density and specific volume $b$($k$), the velocity associated with the turbulent mass flux $a$($k$) , and the turbulent kinetic energy $E$($k$) , using a set of coupled equations. Under the modeling assumptions, each dynamical variable has two coefficients governing spectral transfer among modes. In addition, the velocity $a$($k$) has two coefficients governing the drag between the two fluids. Using a prescribed initial condition for $b$($k$) and starting from a quiescent flow, we first evaluate the relative importance of the different coefficients used to model this system and their impact on the statistical quantities. We next assess the accuracy of the model, relative to direct numerical simulation of the complete hydrodynamical equations, using $b$, $a$, and $E$ as metrics. We show that the model is able to capture the spectral distribution and global means of all three statistical quantities at both low and high Atwood number for a set of optimized coefficients. The optimization procedure also permits us to discern a minimal set of four coefficients which are sufficient to yield reasonable results while pointing to the mechanisms that dominate the mixing process in this problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Observation of the Decay B s 0 → K 0 K ¯ 0

We measure the decay B$^{0}_{s}$ → K 0 K¯ 0 using data collected at the Υ(5S) resonance with the Belle detector at the KEKB e + e – collider. The data sample used corresponds to an integrated luminosity of 121.4 fb–1. We measure a branching fraction B(B$^{0}_{s}$ → K 0 K¯ 0 ) = [19.6$^{+5.8}_{–5.1}$(stat.) ± 1.0(sys.)±2.0(N B$^{0}_{s}$B¯$^{0}_{s}$ )]×10 –6 with a significance of 5.1 standard deviations. Here, this measurement constitutes the first observation of this decay.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Observation of D 0 → ρ 0 γ and Search for C P Violation in Radiative Charm Decays

Here, we discuss the first observation of the radiative charm decay D 0 → ρ 0 γ and the first search for C P violation in decays D 0 → ρ 0 γ , φ γ , and K ¯ * 0 ( 892 ) γ , using a data sample of 943 fb - 1 collected with the Belle detector at the KEKB asymmetric-energy e + e - collider. The branching fraction is measured to be B ( D 0 → ρ 0 γ ) = ( 1.77 ± 0.30 ± 0.07 ) × 10 - 5 , where the first uncertainty is statistical and the second is systematic. The obtained C P asymmetries A C P ( D 0 → ρ 0 γ ) = + 0.056 ± 0.152 ± 0.006 , A C P ( D 0 → φ γ ) = - 0.094 ± 0.066 ± 0.001 , and A C P ( D 0 → K ¯ * 0 γ ) = - 0.003 ± 0.020 ± 0.000 are consistent with no C P violation. Furthermore, we present an improved measurement of the branching fractions B ( D 0 → φ γ ) = ( 2.76 ± 0.19 ± 0.10 ) × 10 - 5 and B ( D 0 → K ¯ * 0 γ ) = ( 4.66 ± 0.21 ± 0.21 ) × 10 - 4 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)

The reconstruction and modification of metal surfaces upon O 2 adsorption plays an important role in oxidation processes and in gauging their catalytic activity. Here, we show by employing scanning tunneling microscopy and the ab initio density functional theory that Ag atoms are extracted from pristine (110) terraces upon O 2 dissociation, resulting in vacancies and in Ag-O complexes. The substrate roughening generates undercoordinated atoms and opens pathways to the Ag subsurface layer. With increasing O coverage, multiple vacancies give rise to remarkable structures. The mechanism is expected to be very general depending on the delicate interplay of energy and entropy, so that it may be active for other materials at different temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Preferential Sampling of Elastic Chains in Turbulent Flows

A string of tracers interacting elastically in a turbulent flow is shown to have a dramatically different behavior when compared to the noninteracting case. In particular, such an elastic chain shows strong preferential sampling of the turbulent flow unlike the usual tracer limit: An elastic chain is trapped in the vortical regions. The degree of preferential sampling and its dependence on the elasticity of the chain is quantified via the Okubo-Weiss parameter. The effect of modifying the deformability of the chain via the number of links that form it is also examined.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline Tl 3 VSe 4

We explore the microscopic mechanisms of ultralow lattice thermal conductivity ($\kappa_{l}$) in Tl$_{3}$VSe$_{4}$~by combining a first-principles density-functional theory (DFT) based framework of anharmonic lattice dynamics with the Peierls-Boltzmann transport equation (PBTE) for phonons. We include contributions of the three- and four-phonon scattering processes to the phonon lifetimes as well as the temperature-dependent anharmonic renormalization of phonon energies arising from an unusually strong quartic anharmonicity in Tl$_{3}$VSe$_{4}$. In contrast to a recent report by Mukhopadhyay~\etal [\textcolor{blue}{Science 360, 1455 (2018)}] which suggested that a significant contribution to $\kappa_{l}$ arises from random walks among uncorrelated oscillators, we show that particle-like propagation of phonon excitations can successfully explain the experimentally observed ultralow $\kappa_{l}$. Our results are also supported by explicit calculations of the off-diagonal terms of the heat-current operator, which are found to be small and indicate that wave-like tunneling of heat-carrying vibrations is of minor importance. Our results (i) resolve the discrepancy between the theoretical and experimental $\kappa_{l}$, (ii) offer new insights into the minimum $\kappa_{l}$ achievable in \TlVSe, and (iii) highlight the importance of high-order anharmonicity in low-$\kappa_{l}$ systems. The methodology demonstrated here may be used to resolve the discrepancies between the experimentally measured and the theoretically calculated $\kappa_{l}$ in skutterides and perovskites, as well as to understand the glasslike $\kappa_{l}$ in complex crystals with strong anharmonicity, leading towards the goal of rational design of new materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Synthesis and electronic properties of Ruddlesden-Popper strontium iridate epitaxial thin films stabilized by control of growth kinetics

We report on the selective fabrication of high-quality Sr 2 IrO 4 and SrIrO 3 epitaxial thin films from a single polycrystalline Sr2IrO4 target by pulsed laser deposition. Using a combination of x-ray diffraction and photoemission spectroscopy characterizations, we discover that within a relatively narrow range of substrate temperature, the oxygen partial pressure plays a critical role in the cation stoichiometric ratio of the films, and triggers the stabilization of different Ruddlesden-Popper (RP) phases. Resonant x-ray absorption spectroscopy measurements taken at the Ir L edge and the O K edge demonstrate the presence of strong spin-orbit coupling, and reveal the electronic and orbital structures of both compounds. These results suggest that in addition to the conventional thermodynamics consideration, higher members of the Sr n+1 Ir n O 3n+1 series can possibly be achieved by kinetic control away from the thermodynamic limit. These findings offer an approach to the synthesis of ultrathin films of the RP series of iridates and can be extended to other complex oxides with layered structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

High thermoelectric performance in BaAgYTe 3 via low lattice thermal conductivity induced by bonding heterogeneity

Solid-state technology based on thermoelectric (TE) materials enables the conversion of heat into electricity offering an environmentally friendly solution to energy conservation. Here, we use density functional theory calculations to show that BaAgYTe 3 , a layered semiconductor, exhibits low lattice thermal conductivity (κ l ) and a high thermoelectric figure of merit. Our calculations reveal that the presence of bonding inhomogeneity, resulting from the coexisting rigid and fluctuating sublattices, favorably helps in both the electronic and phonon transports. We show that low κ l in this compound mainly originates from (a) the small group velocities of the acoustic modes, (b) quasilocalized low-frequency optical phonons that give rise to multiple scattering channels, and (c) strong lattice anharmonicity. While the calculations of the atomic displacement parameters and bonding analysis reveal relatively weaker bonding of Ag atoms and establish the heterogeneity in the chemical bonding, the strong anharmonicity is manifested in the large mode Gruneisen parameters. Thus, our work provides a theoretical prediction that warrants experimental verification and should encourage further exploration of potential TE materials in the same crystal family.

36 MATERIALS SCIENCE↗