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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Instability Mechanisms of Thermally-Driven Interfacial Flows in Liquid-Encapsulated Crystal Growth

During the past year, a great deal of effort was focused on the enhancement and refinement of the computational tools developed as part of our previous NASA grant. In particular, the interface mollification algorithm developed earlier was extended to incorporate the effects of surface-rheological properties in order to allow the study of thermocapillary flows in the presence of surface contamination. These tools will be used in the computational component of the proposed research in the remaining years of this grant. A detailed description of the progress made in this area is provided elsewhere. Briefly, the method developed allows for the convection and diffusion of bulk-insoluble surfactants on a moving and deforming interface. The novelty of the method is its grid independence: there is no need for front tracking, surface reconstruction, body-fitted grid generation, or metric evaluations; these are all very expensive computational tasks in three dimensions. For small local radii of curvature there is a need for local grid adaption so that the smearing thickness remains a small fraction of the radius of curvature. A special Neumann boundary condition was devised and applied so that the calculated surfactant concentration has no variations normal to the interface, and it is hence truly a surface-defined quantity. The discretized governing equations are solved subsequently using a time-split integration scheme which updates the concentration and the shape successively. Results demonstrate excellent agreement between the computed and exact solutions.

Haj-Hariri, Hossein↗
DOE OSTI2018

Atomic and Electronic Structure of 3C-SiC(111)-(2√3×2√3)-R30° Surface

The theoretical studies and ab initio calculations have been carried out for the first time for atomic and electronic structure of four variants of 3C-SiC(111)-(2√3×2√3)-R30° surface with Si- terminated surface: initial, relaxed, reconstructed, and relaxed after reconstruction. The surface was simulated in the layered superlattice approximation by a system of thin films (slabs) with a thickness of 12 atomic layers separated by vacuum gaps of ~16 Å. In order to close the dangling carbon bonds, the opposite side of the film was complemented with 12 atoms of hydrogen. Ab initio calculations were performed by means of QUANTUM ESPRESSO program based on the density functional theory. It is shown that the reconstruction makes the atomic layers split. Our previous works and experimental data show that these splits are observed at reconstructions of surface (111) in crystals with the sphalerite structure. The band structures of four alternative slabs are calculated and analyzed. Total and layer-by-layer valence electron state densities are calculated for four top layers. It is shown that the real surface has a metallic conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

The DESI Y1 RR Lyrae catalog I: Empirical modeling of the cyclic variation of spectroscopic properties and a chemodynamical analysis of the outer halo

We present the catalog of RR Lyrae stars observed in the first year of operations of the Dark Energy Spectroscopic Instrument (DESI) survey. This catalog contains 6,240 RR Lyrae stars out to $\sim100$ kpc from the Galactic center and over 12,000 individual epochs with homogeneously-derived stellar atmospheric parameters. We introduce a novel methodology to model the cyclical variation of the spectroscopic properties of RR Lyrae from single-epoch measurements. We employ this method to infer the radial velocity and effective temperature variation of fundamental mode and first-overtone RR Lyrae stars and to determine their systemic velocities and mean temperatures. For fundamental mode pulsators, we obtain radial velocity curves with amplitudes of $\sim$30--50 km s$^{-1}$ and effective temperature curves with 300--1,000 K variations, whereas for first-overtone pulsators these amplitudes are $\sim20$ km s$^{-1}$ and $\sim 600$ K, respectively. We use our sample to study the metallicity distribution of the halo and its dependence on Galactocentric distance ($R_{\rm GC}$). Using a radius-dependent mixture model, we split the data into chemodynamically distinct components and find that our inner halo sample ($R_{\rm GC}\lesssim50$ kpc) is predominantly composed of stars with [Fe/H] $\sim-1.5$ dex and largely radial orbits (with an anisotropy parameter $\beta\sim0.94$), that we associate with the Gaia-Sausage-Enceladus merger event. Stars in the outer halo field exhibit a broader and more metal-poor [Fe/H] distribution with more circular orbits ($\beta\sim0.39$). The metallicity gradient of the metal-rich and the metal-poor components is found to be $0.005$ and $0.010$ dex kpc$^{-1}$, respectively. Our catalog highlights DESI's tantalizing potential for studying the Milky Way and the pulsation properties of RR Lyrae stars in the era of large spectroscopic surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2006

Tuning of MEMS Gyroscope using Evolutionary Algorithm and "Switched Drive-Angle" Method

We propose a tuning method for Micro-Electro-Mechanical Systems (MEMS) gyroscopes based on evolutionary computation that has the capacity to efficiently increase the sensitivity of MEMS gyroscopes through tuning and, furthermore, to find the optimally tuned configuration for this state of increased sensitivity. We present the results of an experiment to determine the speed and efficiency of an evolutionary algorithm applied to electrostatic tuning of MEMS micro gyros. The MEMS gyro used in this experiment is a pyrex post resonator gyro (PRG) in a closed-loop control system. A measure of the quality of tuning is given by the difference in resonant frequencies, or frequency split, for the two orthogonal rocking axes. The current implementation of the closed-loop platform is able to measure and attain a relative stability in the sub-millihertz range, leading to a reduction of the frequency split to less than 100 mHz.

Micro-Electro-Mechanical Systems (MEMS)↗
DOE OSTI2024

Transition-Metal-Related Quantum Emitters in Wurtzite AlN and GaN

Transition-metal centers exhibit a paramagnetic ground state in wide-bandgap semiconductors and are promising for nanophotonics and quantum information processing. Specifically, there is a growing interest in discovering prominent paramagnetic spin defects that can be manipulated using optical methods. Here, we investigate the electronic structure and magneto-optical properties of Cr and Mn substitutional centers in wurtzite AlN and GaN. We use state-of-the-art hybrid density functional theory calculations to determine level structure, stability, optical signatures, and magnetic properties of these centers. The excitation energies are calculated using the constrained occupation approach and rigorously verified with the complete active space configuration interaction approach. Our simulations of the photoluminescence spectra indicate that $Cr$$^{1+}_{Al}$ in AlN and $Cr$$^{1+}_{Ga}$ in GaN are responsible for the observed narrow quantum emission near 1.2 eV. We compute the zero-field splitting (ZFS) parameters and outline an optical spin polarization protocol for $Cr$$^{1+}_{Al}$ and $Cr$$^{1+}_{Ga}$. Our results demonstrate that these centers are promising candidates for spin qubits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

An interactive graphics program for manipulation and display of panel method geometry

Modern aerodynamic panel methods that handle large, complex geometries have made evident the need to interactively manipulate, modify, and view such configurations. With this purpose in mind, the GEOM program was developed. It is a menu driven, interactive program that uses the Tektronix PLOT 10 graphics software to display geometry configurations which are characterized by an abutting set of networks. These networks are composed of quadrilateral panels which are described by the coordinates of their corners. GEOM is divided into fourteen executive controlled functions. These functions are used to build configurations, scale and rotate networks, transpose networks defining M and N lines, graphically display selected networks, join and split networks, create wake networks, produce symmetric images of networks, repanel and rename networks, display configuration cross sections, and output network geometry in two formats. A data base management system is used to facilitate data transfers in this program. A sample session illustrating various capabilities of the code is included as a guide to program operation.

Hall, J. F.↗
DOE OSTI2019

Method for removal of a foulant from a carrier gas in a single vessel using recycled cold solids

A method for removal of a foulant from a carrier gas is disclosed. A solids conveyance device that spans a vessel and a solids coolant system are provided. A cold solid foulant is provided to the solid inlet of the vessel. The carrier gas containing the foulant is provided to the carrier gas inlet of the vessel. The foulant condenses or desublimates onto the recycled solid foulant, forming a foulant-depleted carrier gas and a solid foulant product. The solids conveyance device passes the solid foulant product out of the vessel. The foulant-depleted carrier gas leaves the vessel. The solid foulant product is split into a final solid foulant product and a recycled solid foulant. The recycled solid foulant is cooled through the coolant system to produce the cold solid foulant. In this manner, the foulant is removed from the carrier gas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Few-mode and anisotropic quantum transport in InSb nanoribbons using an all-van der Waals material-based gate

High-quality electrostatic gating is a fundamental ingredient for successful semiconducting device physics, and a key element of realizing clean quantum transport. Inspired by the widespread improvement of transport quality when two-dimensional van der Waals (vdW) materials are gated exclusively by other vdW materials, we have developed a method for gating non-vdW materials with an all-vdW gate stack, consisting of a hexagonal boron nitride dielectric layer and a few-layer graphite gate electrode. We demonstrate this gating approach on MOVPE-grown InSb nanoribbons (NRs), a novel variant of the InSb nanowire, with a flattened cross-section. In our all-vdW gated NR devices we observe conductance features that are reproducible and have low- to near-zero gate hysteresis. We also report quantized conductance, which persists to lower magnetic fields and longer channel lengths than typical InSb nanowire devices reported to date. Additionally, we observe level splitting that is highly anisotropic in an applied magnetic field, which we attribute to the ribbon cross-section. The performance of our devices is consistent with the reduced disorder expected from the all-vdW gating scheme, and marks the first report of ballistic, few-modes quantum transport in a non-vdW material with an all-vdW gate. Our results establish all-vdW gating as a promising approach for high-quality gating of non-vdW materials for quantum transport, which is in principle applicable generically, beyond InSb systems. In addition, the work showcases the specific potential of all-vdW gate/InSb NR devices for enabling clean quantum devices that may be relevant for spintronics and topological superconductivity studies.

InSb↗
NASA NTRS2005

Diffraction-based optical correlator

Method and system for wavelength-based processing of a light beam. A light beam, produced at a chemical or physical reaction site and having at least first and second wavelengths, ?1 and ?2, is received and diffracted at a first diffraction grating to provide first and second diffracted beams, which are received and analyzed in terms of wavelength and/or time at two spaced apart light detectors. In a second embodiment, light from first and second sources is diffracted and compared in terms of wavelength and/or time to determine if the two beams arise from the same source. In a third embodiment, a light beam is split and diffracted and passed through first and second environments to study differential effects. In a fourth embodiment, diffracted light beam components, having first and second wavelengths, are received sequentially at a reaction site to determine whether a specified reaction is promoted, based on order of receipt of the beams. In a fifth embodiment, a cylindrically shaped diffraction grating (uniform or chirped) is rotated and translated to provide a sequence of diffracted beams with different wavelengths. In a sixth embodiment, incident light, representing one or more symbols, is successively diffracted from first and second diffraction gratings and is received at different light detectors, depending upon the wavelengths present in the incident light.

Spremo, Stevan M.↗
DOE OSTI2025

A dynamic likelihood approach to filtering transport processes: advection-diffusion dynamics

A Bayesian data assimilation scheme is formulated for advection-dominated advective and diffusive evolutionary problems, based upon the Dynamic Likelihood (DLF) approach to filtering. The DLF was developed specifically for hyperbolic problems –waves–, and in this paper, it is extended via a split step formulation, to handle advection-diffusion problems. In the dynamic likelihood approach, observations and their statistics are used to propagate probabilities along characteristics, evolving the likelihood in time. The estimate posterior thus inherits phase information. For advection-diffusion the advective part of the time evolution is handled on the basis of observations alone, while the diffusive part is informed through the model as well as observations. We expect, and indeed show here, that in advection-dominated problems, the DLF approach produces better estimates than other assimilation approaches, particularly when the observations are sparse and have low uncertainty. The added computational expense of the method is cubic in the total number of observations over time, which is on the same order of magnitude as a standard Kalman filter and can be mitigated by bounding the number of forward propagated observations, discarding the least informative data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Chapter 3. Understanding the Effects of Composition and Structure on the Oxygen Evolution Reaction (OER) Occurring on NiFeOx Catalysts. IN: Energy and Environment Series No. 22, Integrated Solar Fuel Generators

© The Royal Society of Chemistry 2019. Hydrogen produced by wind- or solar energy-driven electrochemical splitting of water could be used to store renewable electrical energy or to reduce biomass or CO2 to carbon-containing fuels. The potential required for the splitting of water is larger than the thermodynamic potential due to the insufficient activity of the catalysts required for the two half reactions involved in water splitting - the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER). The OER and HER occur at the anode and cathode, respectively, of the electrochemical cell. Since the overpotential for the OER can be nearly an order of magnitude larger than that for the HER, considerable attention has been devoted to finding and developing highly active OER catalysts, and in particular those based on earth-abundant elements. To date this goal has been best met with catalysts based on oxides and oxyhydroxides of Ni and Fe for alkaline electrolysis. This chapter reviews the current understanding of such catalysts and examines the role of catalyst synthesis method and percentage of Fe content on catalyst performance. Particular attention is given to the role of Fe3+ cations exchanged into the lattice of NiOOH in enhancing the OER activity of the host material. This issue is discussed from both experimental and theoretical perspectives with the aim of identifying how and why the additions of Fe3+ cations enhance catalyst performance. The chapter ends with a brief overview of recent efforts aimed at identifying elements other than Fe that can be added to Ni oxide to enhance its OER activity and elements that can be added to NiFe oxyhydroxides to further enhance their OER activity.

Bell, Alexis T↗
DOE OSTI2024

Attosecond-pump attosecond-probe x-ray spectroscopy of liquid water

Attosecond-pump/attosecond-probe experiments have long been sought as the most straightforward method for observing electron dynamics in real time. Although there has been much success with overlapped near-infrared femtosecond and extreme ultraviolet attosecond pulses combined with theory, true attosecond-pump/attosecond-probe experiments have been limited. Here we used a synchronized attosecond x-ray pulse pair from an x-ray free-electron laser to study the electronic response to valence ionization in liquid water through all x-ray attosecond transient absorption spectroscopy (AX-ATAS). Our analysis showed that the AX-ATAS response is confined to the subfemtosecond timescale, eliminating any hydrogen atom motion and demonstrating experimentally that the 1b 1 splitting in the x-ray emission spectrum is related to dynamics and is not evidence of two structural motifs in ambient liquid water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

A Cryogenic Waveguide Mount for Microstrip Circuit and Material Characterization

A waveguide split-block fixture used in the characterization of thin-film superconducting planar circuitry at millimeter wavelengths is described in detail. The test fixture is realized from a pair of mode converters, which transition from rectangular-waveguide to on-chip microstrip-line signal propagation via a stepped ridge-guide impedance transformer. The observed performance of the W-band package at 4.2K has a maximum in-band transmission ripple of 2dB between 1.53 and 1.89 times the waveguide cutoff frequency. This metrology approach enables the characterization of superconducting microstrip test structures as a function temperature and frequency. The limitations of the method are discussed and representative data for superconducting Nb and NbTiN thin film microstrip resonators on single-crystal Si dielectric substrates are presented.

U-yen, Kongpop↗
NASA NTRS2016

A Cryogenic Waveguide Mount for Microstrip Circuit and Material Characterization

A waveguide split-block fixture used in the characterization of thin-film superconducting planar circuitry at millimeter wavelengths is described in detail. The test fixture is realized from a pair of mode converters, which transition from rectangular-waveguide to on-chip microstrip-line signal propagation via a stepped ridge-guide impedance transformer. The observed performance of the W-band package at 4.2K has a maximum in-band transmission ripple of 2dB between 1.53 and 1.89 times the waveguide cutoff frequency. This metrology approach enables the characterization of superconducting microstrip test structures as a function temperature and frequency. The limitations of the method are discussed and representative data for superconducting Nb and NbTiN thin film microstrip resonators on single-crystal Si dielectric substrates are presented.

U-yen, Kongpop↗
DOE OSTI2020

SPLIT: Stable Protein Coacervation Using a Light Induced Transition

Protein coacervates serve as hubs to concentrate and sequester proteins and nucleotides and thus function as membraneless organelles to manipulate cell physiology. We have engineered a coacervating protein to create tunable, synthetic membraneless organelles that assemble in response to a single pulse of light. Coacervation is driven by the intrinsically disordered RGG domain from the protein LAF-1, and opto-responsiveness is coded by the protein PhoCl, which cleaves in response to 405 nm light. We developed a fusion protein containing a solubilizing maltose-binding protein domain, PhoCl, and two copies of the RGG domain. Several seconds of illumination at 405 nm is sufficient to cleave PhoCl, removing the solubilization domain and enabling RGG-driven coacervation within minutes in cellularsized water-in-oil emulsions. An optimized version of this system displayed light-induced coacervation in Saccharomyces cerevisiae. Finally, the methods described here provide novel strategies for inducing protein phase separation using light.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Methods and stability tests associated with the sterile neutrino search using improved high-energy ν μ event reconstruction in IceCube

We provide supporting details for the search for a 3 + 1 sterile neutrino using data collected over 10.7 years at the IceCube Neutrino Observatory. The analysis uses atmospheric muon-flavored neutrinos from 0.5 to 100 TeV that traverse Earth to reach the IceCube detector and finds a best-fit point at sin 2 ( 2 θ 24 ) = 0.16 and Δ m 41 2 = 3.5 eV 2 with a goodness-of-fit p value of 12% and consistency with the null hypothesis of no oscillations to sterile neutrinos with a p value of 3.1%. Several improvements were made over past analyses, which are reviewed in this article, including upgrades to the reconstruction and the study of sources of systematic uncertainty. We provide details of the fit quality and discuss stability tests that split the data for separate samples, comparing results. We find that the fits are consistent between split datasets. Published by the American Physical Society 2024

Abbasi, R.↗
NASA NTRS1977

Spectral line similarity in the geomagnetic dipole field variations and length of day fluctuations

Power spectral density analysis using Burg's maximum entropy method (MEM) was applied to the geomagnetic dipole field and its rate of change for the years 1901-1969. Both spectra indicate relative maxima at 0.015 cycle/yr and its harmonics. These maxima correspond approximately to 66-, 33-, 22-, 17-, 13-, 11-, and 9-year spectral lines. The application of the same analysis techniques to the length of day (l.o.d.) fluctuations for the period 1865-1961 reveals similar spectral characteristics. The existence of the common spectral peaks with periods of 66 and 33 years in the l.o.d. fluctuations and the geomagnetic dipole field is clearly established. The existence of the higher harmonics is somewhat uncertain because of the line-splitting problem in the MEM spectral analysis. It is suggested that the spectral line similarity in the l.o.d. fluctuations and the dipole field variations is related to the motion within the earth's fluid core during the past 100 years.

Jin, R.-S.↗