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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Electronegative Guests in CoSb 3

Introducing guests into a host framework to form a so called inclusion compound can be used to design materials with new and fascinating functionalities. The vast majority of inclusion compounds have electropositive guests with neutral or negatively charged frameworks. Here, we show a series of electronegative guest filled skutterudites with inverse polarity. The strong covalent guest-host interactions observed for the electronegative group VIA guests, i.e., S and Se, feature a unique localized cluster vibration which significantly influences the lattice dynamics, together with the point-defect scattering caused by element substitutions, resulting in very low lattice thermal conductivity values. The findings of electronegative guests provide a new perspective for guest-filling in skutterudites, and the covalent filler/lattice interactions lead to an unusual lattice dynamics phenomenon which can be used for designing high-efficiency thermoelectric materials and novel functional inclusion compounds with open structures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Material coherence from trajectories via Burau eigenanalysis of braids

In this paper, we provide a numerical tool to study a material’s coherence from a set of 2D Lagrangian trajectories sampling a dynamical system, i.e., from the motion of passive tracers. We show that eigenvectors of the Burau representation of a topological braid derived from the trajectories have levelsets corresponding to components of the Nielsen–Thurston decomposition of the dynamical system. One can thus detect and identify clusters of space–time trajectories corresponding to coherent regions of the dynamical system by solving an eigenvalue problem. Unlike previous methods, the scalable computational complexity of our braid-based approach allows the analysis of large amounts of trajectories.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Band-mixing effects in one-dimensional charge transfer insulators

The low-energy properties of transition metal oxides (TMOs) are governed by the electrons occupying strongly correlated $d$-orbitals that are hybridized with surrounding ligand oxygen $p$ orbitals to varying degrees. Their physics is thus established by a complex interplay between the transition-metal (TM)-ligand hopping $t$, charge transfer energy $\Delta_\mathrm{CT}$, and on-site TM Hubbard repulsion $U$. Here, we study the spectral properties of a one-dimensional (1D) analog of such a $pd$ system, with alternating TM $d$ and ligand anion $p$ orbitals situated along a chain. Using the density matrix renormalization group method, we study the model's single-particle spectral function, x-ray absorption spectrum, and dynamical spin structure factor as a function of $\Delta_\mathrm{CT}$ and $U$. In particular, we present results spanning from the Mott insulating ($\Delta_\mathrm{CT} > U$) to negative charge transfer regime $\Delta_\mathrm{CT} < 0$ to gain a better understanding of the ground and momentum-resolved excited state properties of these different regimes. Our results can guide new studies on TMOs that seek to situate them within the Mott-Hubbard/charge transfer insulator classification scheme.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Doping evolution of charge and spin excitations in two-leg Hubbard ladders: Comparing DMRG and FLEX results [Doping evolution of charge and spin excitations in two-leg Hubbard ladders: Comparing DMRG and RPA+FLEX results]

Here, we study the magnetic and charge dynamical response of a Hubbard model in a two-leg ladder geometry using the density matrix renormalization group (DMRG) method and the random phase approximation within the fluctuation-exchange approximation (FLEX). Our calculations reveal that FLEX can capture the main features of the magnetic response from weak up to intermediate Hubbard repulsion for doped ladders, when compared with the numerically exact DMRG results. However, while at weak Hubbard repulsion both the spin and charge spectra can be understood in terms of weakly interacting electron-hole excitations across the Fermi surface, at intermediate coupling DMRG shows gapped spin excitations at large momentum transfer that remain gapless within the FLEX approximation. For the charge response, FLEX can only reproduce the main features of the DMRG spectra at weak coupling and high doping levels, while it shows an incoherent character away from this limit. Overall, our analysis shows that FLEX works surprisingly well for spin excitations at weak and intermediate Hubbard U values even in the difficult low-dimensional geometry such as a two-leg ladder. Finally, we discuss the implications of our results for neutron scattering and resonant inelastic x-ray scattering experiments on two-leg ladder cuprate compounds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Local quantum criticality of a one-dimensional Kondo insulator model

Here, the continuous quantum phase transition and the nature of the quantum critical point (QCP) in a modified Kondo lattice model with Ising anisotropic exchange interactions are studied within the density-matrix renormalization group algorithm. We investigate the effect of quantum fluctuations on critical Kondo destruction QCP by probing static and dynamic properties of the magnetic order and the Kondo effect. In particular, we identify that local Kondo physics itself becomes critical at the magnetic phase transition point, providing unbiased evidences for local quantum criticality between two insulators without involving the Fermi surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Mass sensitivity of the three-flavor chiral phase transition

The mass sensitivity of the chiral phase transition of QCD with and without axial U A (1)-symmetry breaking at vanishing and finite quark chemical potential is investigated. To focus on the low-energy sector of QCD, a quark-meson model with three dynamical quark flavors is employed. Non-perturbative quantum fluctuations are taken into account with the functional renormalization group. The inherent ambiguities in fixing the low-energy model parameters away from the physical mass point and their consequences for spontaneous chiral symmetry breaking are discussed in detail and a heuristic parameter fixing scheme motivated by chiral perturbation theory is proposed. The influence of vacuum and thermal fluctuations of quarks and mesons on the order of the chiral phase transition is additionally assessed with a mean-field analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Local-Ising-type magnetic order and metamagnetism in the rare-earth pyrogermanate Er 2 Ge 2 O 7

The recent discoveries of proximate quantum spin-liquid compounds and their potential application in quantum computing informs the search for new candidate materials for quantum spin-ice and spin-liquid physics. While the majority of such work has centered on members of the pyrochlore family due to their inherently frustrated linked tetrahedral structure, the rare-earth pyrogermanates also show promise for possible frustrated magnetic behavior. With the familiar stoichiometry R 2 Ge 2 O 7 , these compounds generally have tetragonal symmetry with a rare-earth sublattice built of a spiral of alternating edge and corner-sharing rare-earth site triangles. Studies on Dy 2 Ge 2 O 7 and Ho 2 Ge 2 O 7 have shown tunable low temperature antiferromagnetic order, a high frustration index, and spin-ice-like dynamics. Here we use neutron diffraction to study magnetic order in Er 2 Ge 2 O 7 (space group P4 1 2 1 2) and find the lowest yet Neél temperature in the pyrogermanates of 1.15 K. Using neutron powder diffraction, we find the magnetic structure to order with k=(0,0,0) ordering vector, magnetic space group symmetry P4' 1 2 1 2', and a refined Er moment of m=8.1μ B near the expected value for the Er 3+ free ion. Provocatively, the magnetic structure exhibits similar “local Ising” behavior to that seen in the pyrocholres where the Er moment points up or down along the short Er-Er bond. Upon applying a magnetic field, we find a first-order metamagnetic transition at ~0.35T to a lower symmetry P2' 1 2' 1 2 structure. This magnetic transition involves an inversion of Er moments aligned antiparallel to the applied field describing a class I spin-flip-type transition, indicating a strong local anisotropy at the Er site—reminiscent of that seen in the spin-ice pyrochlores.

36 MATERIALS SCIENCE↗
DOE OSTI2018

On the Application of the Method of Induced Representations to the Conformal Group

The method of induced representations is applied to the conformal group. By its means, it is shown that the coset space to be used within the coset space technique for the construction of conformally-invariant theories must include the “Nambu-Goldstone” fields for special conformal transformations. They turn out to be non-dynamical fields whose dependence on the coordinates is fixed by the symmetries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Predicting peak spectral sensitivities of vertebrate cone visual pigments using atomistic molecular simulations

Vision is the dominant sensory modality in many organisms for foraging, predator avoidance, and social behaviors including mate selection. Vertebrate visual perception is initiated when light strikes rod and cone photoreceptors within the neural retina of the eye. Sensitivity to individual colors, i.e., peak spectral sensitivities (λ max ) of visual pigments, are a function of the type of chromophore and the amino acid sequence of the associated opsin protein in the photoreceptors. Large differences in peak spectral sensitivities can result from minor differences in amino acid sequence of cone opsins. To determine how minor sequence differences could result in large spectral shifts we selected a spectrally-diverse group of 14 teleost Rh2 cone opsins for which sequences and λ max are experimentally known. Classical molecular dynamics simulations were carried out after embedding chromophore-associated homology structures within explicit bilayers and water. These simulations revealed structural features of visual pigments, particularly within the chromophore, that contributed to diverged spectral sensitivities. Statistical tests performed on all the observed structural parameters associated with the chromophore revealed that a two-term, first-order regression model was sufficient to accurately predict λ max over a range of 452–528 nm. The approach was accurate, efficient and simple in that site-by-site molecular modifications or complex quantum mechanics models were not required to predict λ max . These studies identify structural features associated with the chromophore that may explain diverged spectral sensitivities, and provide a platform for future, functionally predictive opsin modeling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Report on DOE support for GSC13 travel award

Consortium. The 3-day conference was held at the Kingkey Palace Hotel, Shenzhen, China, on March 5-7th, 2012, and was hosted by the Beijing Genomics Institute (BGI). The meeting was entitled ‘From Genomes to Interactions to Communities to Models’ and aimed to be a scientific meeting that highlighted the role of data standards associated with genomic, metagenomic and amplicon sequence data, and the contextual information associated with the sample that data was generated from. To this end the meeting focused on genomic projects for animals, plants, fungi and viruses, metagenomic studies in host-microbe interactions, and community dynamics in microbial communities. In addition the meeting hosted a Genomic Observatories Network session, a GSC biodiversity working group session, and a Microbiology of the Built Environment session sponsored by the Alfred P. Sloan Foundation. The meeting was very well organized by the local hosts at BGI, and all attendees reported that they were very happy with the outcome, service and quality of the science presented. Highlights were keynotes by Rita Colwell, Mitch Sogin and Jim Tiedje. The 5 attendees paid for by the DOE award were Daniel Smith and Jared Wilkening (University of Chicago); Patrick Chain (Los Alamos National Laboratory), Austin Davis-Richardson (University of Florida) and Greg Caporoaso (University of Northern Arizona). Each attendee was able to either present or become involved with the attending scientists, and each reported that they had got something significant out of the meeting. Here are detailed their personal accounts of the GSC13 meeting. We thank DOE for the helping to fund this valuable outreach initiative, and for supporting the attendance of these bright young scientists at this important meeting.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

A User-Facing Metric to Quantify the Quality of Mobility (CRADA Final Report)

The leading urban mobility data analytics firm StreetLight Data, Inc. partnered with the National Renewable Energy Laboratory to explore a commercial version of the Mobility Energy Productivity (MEP) metric. The commercialization effort was aimed to expand the adoption of the metric to key stakeholders in the urban planning space. Research comprised industry analysis, stakeholder feedback and conducting transportation practitioner focus groups. StreetLight concluded that commercialization of MEP is not feasible in the current market because users need a dynamic MEP tool that enables scenario planning. It should be able to calculate a MEP score dynamically (near instantaneous) when different inputs are changed.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

The Evolution of Galaxies and Clusters at High Spatial Resolution with Advanced X-ray Imaging Satellite (AXIS)

Stellar and black hole feedback heat and disperse surrounding cold gas clouds, launching gas flows off circumnuclear and galactic disks, producing a dynamic interstellar medium. On large scales bordering the cosmic web, feedback drives enriched gas out of galaxies and groups, seeding the intergalactic medium with heavy elements. In this way, feedback shapes galaxy evolution by shutting down star formation and ultimately curtailing the growth of structure after the peak at redshift 2–3. To understand the complex interplay between gravity and feedback, we must resolve both the key physics within galaxies and map the impact of these processes over large scales, out into the cosmic web. The Advanced X-ray Imaging Satellite (AXIS) is a proposed X-ray probe mission for the 2030s with arcsecond spatial resolution, large effective area, and low background. AXIS will untangle the interactions of winds, radiation, jets, and supernovae with the surrounding interstellar medium across the wide range of mass scales and large volumes driving galaxy evolution and trace the establishment of feedback back to the main event at cosmic noon. This white paper is part of a series commissioned for the AXIS Probe mission concept; additional AXIS white papers can be found at the AXIS website.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Radiation-driven outflows from and radiative support in dusty tori of active galactic nuclei

Substantial evidence points to dusty, geometrically thick tori obscuring the central engines of active galactic nuclei (AGNs), but so far no mechanism satisfactorily explains why cool dust in the torus remains in a puffy geometry. Near-Eddington infrared (IR) and ultraviolet (UV) luminosities coupled with high dust opacities at these frequencies suggest that radiation pressure on dust can play a significant role in shaping the torus. To explore the possible effects of radiation pressure, we perform three-dimensional radiative hydrodynamics simulations of an initially smooth torus. Our code solves the hydrodynamics equations, the time-dependent multi–angle group IR radiative transfer (RT) equation, and the time-independent UV RT equation. We find a highly dynamic situation. IR radiation is anisotropic, leaving primarily through the central hole. The torus inner surface exhibits a break in axisymmetry under the influence of radiation and differential rotation; clumping follows. In addition, UV radiation pressure on dust launches a strong wind along the inner surface; when scaled to realistic AGN parameters, this outflow travels at ∼5000 (M/10{sup 7}M{sub ⊙}){sup 1/4} [L{sub UV}/(0.1L{sub E})]{sup 1/4} km s{sup −1} and carries ∼0.1 (M/10{sup 7}M{sub ⊙}){sup 3/4} [L{sub UV}/(0.1L{sub E})]{sup 3/4} M {sub ⊙} yr{sup −1}, where M, L{sub UV}, and L{sub E} are the mass, UV luminosity, and Eddington luminosity of the central object respectively.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1978

Ion composition experiment

An investigation using a novel ion mass spectrometer for measuring the ionic composition of the solar wind from the ISEE-C spacecraft is described. The resolution and dynamic range of the instrument are sufficient to be able to resolve up to twelve individual ions or groups of ions. This will permit the solution of a number of fundamental problems related to solar abundances and the formation of the solar wind. The spectrometer is composed of a stigmatic Wien filter and hemispherical electrostatic energy analyzer. The use of curved electric field plates in the filter results in a substantial saving of weight with respect to a conventional filter of the same resolution and angular acceptance. The spectrometer is controlled by a microprocessor based on a special purpose computer which has three modes of operations: full and partial survey modes and a search mode. In the search mode, the instrument locks on to the solar wind. This allows four times the time resolution of the full survey mode and yields a full mass spectrum every 12.6 min.

Coplan, M. A.↗
NASA NTRS1986

Conceptual definition of a technology development mission for advanced solar dynamic power systems

An initial conceptual definition of a technology development mission for advanced solar dynamic power systems is provided, utilizing a space station to provide a dedicated test facility. The advanced power systems considered included Brayton, Stirling, and liquid metal Rankine systems operating in the temperature range of 1040 to 1400 K. The critical technologies for advanced systems were identified by reviewing the current state of the art of solar dynamic power systems. The experimental requirements were determined by planning a system test of a 20 kWe solar dynamic power system on the space station test facility. These requirements were documented via the Mission Requirements Working Group (MRWG) and Technology Development Advocacy Group (TDAG) forms. Various concepts or considerations of advanced concepts are discussed. A preliminary evolutionary plan for this technology development mission was prepared.

Migra, R. P.↗
NASA NTRS1993

CO2 lidar backscatter experiment

The Aerosol/Lidar Science Group of the Remote Sensing Branch engages in experimental and theoretical studies of atmospheric aerosol scattering and atmospheric dynamics, emphasizing Doppler lidar as a primary tool. Activities include field and laboratory measurement and analysis efforts by in-house personnel, coordinated with similar efforts by university and government institutional researchers. The primary focus of activities related to understanding aerosol scattering is the GLObal Backscatter Experiment (GLOBE) program. GLOBE was initiated by NASA in 1986 to support the engineering design, performance simulation, and science planning for the prospective NASA Laser Atmospheric Wind Sounder (LAWS). The most important GLOBE scientific result has been identified of a background aerosol mode with a surprisingly uniform backscatter mixing ratio (backscatter normalized by air density) throughout a deep tropospheric layer. The backscatter magnitude of the background mode evident from the MSFC CW lidar measurements is remarkably similar to that evident from ground-based backscatter profile climatologies obtained by JPL in Pasadena CA, NOAA/WPL in Boulder CO, and by the Royal Signals and Radar Establishment in the United Kingdom. Similar values for the background mode have been inferred from the conversion of in situ aerosol microphysical measurements to backscatter using Mie theory. Little seasonal or hemispheric variation is evident in the survey mission data, as opposed to large variation for clouds, aerosol plums, and the marine boundary layer. Additional features include: localized aerosol residues from dissipated clouds, occasional regions having mass concentrations of nanograms per cubic meter and very low backscatter, and aerosol plumes extending thousands of kilometers and several kilometers deep. Preliminary comparison with meteorological observations thus far indicate correlation between backscatter and water vapor under high humidity conditions. Limited intercomparisons with the Stratospheric Aerosol and Gas Experiment (SAGE) limb extinction sounder shows differences in the troposphere, however, it should be noted that in general SAGE measurements have not yet been validated in the troposphere.

Jarzembski, Maurice A.↗
NASA NTRS2008

High throughput reconfigurable data analysis system

The present invention relates to a system and method for performing rapid and programmable analysis of data. The present invention relates to a reconfigurable detector comprising at least one array of a plurality of pixels, where each of the plurality of pixels can be selected to receive and read-out an input. The pixel array is divided into at least one pixel group for conducting a common predefined analysis. Each of the pixels has a programmable circuitry programmed with a dynamically configurable user-defined function to modify the input. The present detector also comprises a summing circuit designed to sum the modified input.

Bearman, Greg↗
NASA NTRS2015

3-D CFD Simulation and Validation of Oxygen-Rich Hydrocarbon Combustion in a Gas-Centered Swirl Coaxial Injector using a Flamelet-Based Approach

Injector design is a critical part of the development of a rocket Thrust Chamber Assembly (TCA). Proper detailed injector design can maximize propulsion efficiency while minimizing the potential for failures in the combustion chamber. Traditional design and analysis methods for hydrocarbon-fuel injector elements are based heavily on empirical data and models developed from heritage hardware tests. Using this limited set of data produces challenges when trying to design a new propulsion system where the operating conditions may greatly differ from heritage applications. Time-accurate, Three-Dimensional (3-D) Computational Fluid Dynamics (CFD) modeling of combusting flows inside of injectors has long been a goal of the fluid analysis group at Marshall Space Flight Center (MSFC) and the larger CFD modeling community. CFD simulation can provide insight into the design and function of an injector that cannot be obtained easily through testing or empirical comparisons to existing hardware. However, the traditional finite-rate chemistry modeling approach utilized to simulate combusting flows for complex fuels, such as Rocket Propellant-2 (RP-2), is prohibitively expensive and time consuming even with a large amount of computational resources. MSFC has been working, in partnership with Streamline Numerics, Inc., to develop a computationally efficient, flamelet-based approach for modeling complex combusting flow applications. In this work, a flamelet modeling approach is used to simulate time-accurate, 3-D, combusting flow inside a single Gas Centered Swirl Coaxial (GCSC) injector using the flow solver, Loci-STREAM. CFD simulations were performed for several different injector geometries. Results of the CFD analysis helped guide the design of the injector from an initial concept to a tested prototype. The results of the CFD analysis are compared to data gathered from several hot-fire, single element injector tests performed in the Air Force Research Lab EC-1 test facility located at Edwards Air Force Base.

Richardson, Brian↗