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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Minidisk Accretion onto Spinning Black Hole Binaries: Quasi-periodicities and Outflows

We perform a full 3D general relativistic magnetohydrodynamical (GRMHD) simulation of an equal-mass, spinning, binary black hole approaching merger, surrounded by a circumbinary disk and with a minidisk around each black hole. For this purpose, we evolve the ideal GRMHD equations on top of an approximated spacetime for the binary that is valid in every position of space, including the black hole horizons, during the inspiral regime. We use relaxed initial data for the circumbinary disk from a previous long-term simulation, where the accretion is dominated by a m = 1 overdensity called the lump. We compare our new spinning simulation with a previous non-spinning run, studying how spin influences the minidisk properties. We analyze the accretion from the inner edge of the lump to the black hole, focusing on the angular momentum budget of the fluid around the minidisks. We find that minidisks in the spinning case have more mass over a cycle than the non-spinning case. However, in both cases we find that most of the mass received by the black holes is delivered by the direct plunging of material from the lump. We also analyze the morphology and variability of the electromagnetic fluxes, and we find they share the same periodicities of the accretion rate. In the spinning case, we find that the outflows are stronger than the non-spinning case. Our results will be useful to understand and produce realistic synthetic light curves and spectra, which can be used in future observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

A Two-Way Shape Memory Study on Ni-Rich NiTi Shape Memory Alloy by Combination of the All-Round Treatment and the R-Phase Transformation

Ni{sub 4}Ti{sub 3} precipitates are formed in Ni-rich NiTi shape memory alloys (SMAs) after a certain heat treatment. Such a treatment then results in the changed phase transformation behavior of the alloy switching from the one-step reversible phase change B2 ↔ B19′ to the two-step, B2 ↔ R ↔ B19′, phase change. The present study reports a two-way shape memory (TWSM) due to an all-round treatment followed by an R-phase constraint aging at room temperature. The enhanced TWSM behavior was observed upon temperature cycling between 273 K (R-phase) and 77 K (B19′ phase). The effect of various constraint strains in R-phase aging by employing different diameters of the constraint ring was studied. However, the TWSM effect due to constraining the R-phase will be eliminated after a temperature rise of specimen to the fully parent phase (373 K).

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermodynamic modeling of the U 3 O 8-x solid solution phase

It is important to accurately characterize the equilibrium behavior of U 3 O 8 during UO 2 nuclear fuel fabrication as the determination of the oxygen to uranium ratio in UO 2 powders and pellets is dependent on U 3 O 8 stoichiometry. Prior thermodynamic modeling efforts have treated U 3 O 8 as stoichiometric; however, it is experimentally known that the phase exhibits hypostoichiometric behavior at temperatures >850 K. The goal of this work was to model U 3 O 8 as a solid solution using the compound energy formalism and optimize the model to experimental data according to the CALPHAD methodology. Results of the U 3 O 8-x model assessment were visualized by recalculating the previously assessed U–O binary phase diagram replacing a stoichiometric representation of U 3 O 8 with a U 3 O 8-x solid solution model. Moreover, a recommendation is made to revise the U 3 O 8 to U conversion factor used in the ASTM C 1453 standard based on the literature and updated thermodynamic representation for U 3 O 8-x presented in this work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

High-rate and long-life lithium-ion battery performance of hierarchically hollow-structured NiCo 2 O 4 /CNT nanocomposite

In this paper, 3D-transition binary metal oxides have been considered as promising anode materials for lithium-ion batteries with improved reversible capacity, structural stability and electronic conductivity compared with single metal oxides. Here, carbon nanotube supported NiCo 2 O 4 nanoparticles (NiCo 2 O 4 /CNT) with 3D hierarchical hollow structure are fabricated via a simple one-pot method. The NiCo 2 O 4 nanoparticles with interconnected pores are consists of small nanocrystals. When used as anode material for the lithium-ion battery, NiCo 2 O 4 /CNT exhibits enhanced electrochemical performance than that of Co 3 O 4 /CNT and NiO/CNT. Moreover, ultra-high discharge/charge stability was obtained for 4000 cycles at a current density of 5 A g –1 . The superior battery performance of NiCo 2 O 4 nanoparticles is probably attributed to the special structural features and physical characteristics, including integrity, hollow structure with interconnected pores, which providing sufficient accommodation for the volume change during charge/discharge process. Besides, the consisting of ultra-small crystals enhanced the utility of active material, and intimate interaction with CNTs improved the electron-transfer rate.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of Calcite Impurities in Bentonite Buffer Systems on Uranium(VI) Solution Speciation and Sorption Behavior

In many nuclear waste disposal scenarios, bentonite is the proposed buffer material surrounding nuclear waste containers. Its main mineralogical component, Na-montmorillonite clay, is expected to limit radionuclide mobility to slow diffusion processes due to the clay’s low porosity and permeability, and the high sorption affinity of clay surface complexation and cation exchange sites for many radionuclides. Given its mineral structure, montmorillonite provides two types of porosities that can be accessible to radioactive contaminants: macropores between clay particles and interlayer spaces within clay particles, which become dominant at increasing degrees of bentonite compaction. Despite the fact that bentonite naturally contains a variety of mineral impurities (e.g., quartz, feldspars and calcite), most previous studies have only focused on radionuclide interactions with pure Na-montmorillonite phases. Hence, in this study, we will investigate the influence of calcite impurities on uranium(VI) (U(VI)) solution speciation and sorption behavior in bentonite systems. In the presence of water, calcite impurities are expected to lead to milli-molar concentrations of dissolved calcium over a wide range of pH conditions. Consequently, Ca 2+ could – at least partially – replace Na + on clay cation exchange sites, with further implications for exchange reactions of cationic U(VI) species. In addition, ternary U(VI)-Ca-carbonate solution species (CaUO 2 (CO 3 ) 3 2- and Ca 2 UO 2 (CO 3 ) 3 ) will largely replace U(VI)-carbonate species (UO 2 (CO 3 ) 3 4- and UO 2 (CO 3 ) 2 2- ) at alkaline pH. These larger, but lower-charged U(VI) species, may show different sorption and diffusion characteristics, e.g. if their access to negatively-charged clay interlayer spaces is different from binary U(VI)-carbonate complexes. In this presentation, we will first demonstrate the impacts of calcite impurities on U(VI) solution speciation based on PHREEQC simulations. We will then discuss first results from U(VI) sorption studies in these systems. This research is being performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Program.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

The Effect of CO 2 Pressure on Chromia Scale Microstructure at 750°C

To understand and model performance in supercritical CO 2 (sCO 2 ) for high-efficiency, concentrating solar power (CSP) and fossil energy power cycles, reaction rates are compared at 750°C in 0.1 MPa CO 2 and 30 MPa sCO 2 as well as laboratory air as a baseline on structural materials such as Ni-based alloy 625. Due to the thin reaction products formed even after 5000 h, scanning transmission electron microscopy was used to study the Cr-rich surface oxide scale. The scales formed in CO 2 and sCO 2 had a much finer grain size with more voids observed in CO 2 . However, the observations on alloy 625 were complicated by Mo and Nb-rich precipitates in the adjacent substrate and Al internal oxidation. To simplify the system, a binary Ni-22Cr alloy was exposed for 1000 h in similar environments. After exposure in sCO 2 , there was an indication of carbon segregation detected on the Cr 2 O 3 grain boundaries. After exposure in air, metallic Ni precipitates were observed in the scale that were not observed in the scale formed on alloy 625. The scale formed in air on a second Ni-22Cr model alloy with Mn and Si additions did not contain Ni precipitates, suggesting caution when drawing conclusions from model alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Identifying rhenium substitute candidate multiprincipal-element alloys from electronic structure and thermodynamic criteria

While rhenium has proven to be an ideal material in fast-cycling high-temperature applications such as rocket nozzles, its prohibitive cost limits its continued use and motivates a search for viable cost-effective substitutes. We show that a simple design principle that trades off average valence electron count and cost considerations proves helpful in identifying a promising pool of candidate substitute alloys: The Mo–Ru–Ta–W quaternary system. We demonstrate how this picture can be combined with a computational thermodynamic model of phase stability, based on high-throughput ab initio calculations, to further narrow down the search and deliver alloys that maintain rhenium’s desirable hcp crystal structure. Here, this thermodynamic model is validated with comparisons to known binary phase diagram sections and corroborated by experimental synthesis and structural characterization demonstrating multiprinciple-element hcp solid-solution samples selected from a promising composition range.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Deep Chandra Survey of the Small Magellanic Cloud. II. Timing Analysis of X-Ray Pulsars

We report the timing analysis results of X-ray pulsars from a recent deep Chandra survey of the Small Magellanic Cloud (SMC). We analyzed a total exposure of 1.4 Ms from 31 observations over a 1.2 deg{sup 2} region in the SMC under a Chandra X-ray Visionary Program. Using the Lomb–Scargle and epoch-folding techniques, we detected periodic modulations from 20 pulsars and a new candidate pulsar. The survey also covered 11 other pulsars with no clear sign of periodic modulation. The 0.5–8 keV X-ray luminosity ( L {sub X} ) of the pulsars ranges from 10{sup 34} to 10{sup 37} erg s{sup −1} at 60 kpc. All of the Chandra sources with L {sub X} ≳ 4 × 10{sup 35} erg s{sup −1} exhibit X-ray pulsations. The X-ray spectra of the SMC pulsars (and high-mass X-ray binaries) are in general harder than those of the SMC field population. All but SXP 8.02 can be fitted by an absorbed power-law model with a photon index of Γ ≲ 1.5. The X-ray spectrum of the known magnetar SXP 8.02 is better fitted with a two-temperature blackbody model. Newly measured pulsation periods of SXP 51.0, SXP 214, and SXP 701, are significantly different from the previous XMM-Newton and RXTE measurements. This survey provides a rich data set for energy-dependent pulse profile modeling. Six pulsars show an almost eclipse-like dip in the pulse profile. Phase-resolved spectral analysis reveals diverse spectral variations during pulsation cycles: e.g., for an absorbed power-law model, some exhibit an (anti)-correlation between absorption and X-ray flux, while others show more intrinsic spectral variation (i.e., changes in photon indices).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Tracking the Structural and Electronic Configurations of a Cobalt Proton Reduction Catalyst in Water

Time resolved X-ray absorption spectroscopy (X-TAS) has been used to study the light induced hydrogen evolution reaction catalyzed by a highly stable cobalt complex, [Ru(bpy)3]2+ photosensitizer and an equimolar mixture of sodium ascorbate/ascorbic acid electron donor in pure water. XANES and EXAFS analysis of a binary mixture of the octahedral Co(III) pre-catalyst and [Ru(bpy)3]2+ after illumination, revealed in-situ formation of a square pyramidal Co(II) intermediate, with electron transfer kinetics of 51 ns. On the other hand, X-TAS experiments of the complete photocatalytic system in the presence of the electron donor showed the formation of a square planar Co(I) intermediate species within a few nanoseconds followed by its decay in the microsecond timescales. The Co(I) structural assignment is supported by calculations based on density functional theory (DFT). At longer reaction times, we observe the formation of the initial Co(III) species concomitant to the decay of Co(I), thus closing the catalytic cycle. The experimental X-ray absorption spectra of the molecular species formed along the catalytic cycle are modeled using a combination of molecular orbital DFT calculations (DFT-MO) and Finite Difference Method (FDM). These findings allowed us to unequivocally assign the full mechanistic pathway followed by the catalyst as well as to determine the rate limiting step of the process, which consists in the protonation of the Co(I). This study provides a complete kinetics scheme for the hydrogen evolution reaction by a cobalt catalyst, revealing unique information for the development of better catalysts for the reductive side of hydrogen fuel cells.

Moonshiram, Dooshaye↗
DOE OSTI2022

Disc tearing leads to low and high frequency quasi-periodic oscillations in a GRMHD simulation of a thin accretion disc

Black hole X-ray binaries (BHXRBs) display a wide range of variability phenomena, from long duration spectral state changes to short-term broad-band variability and quasi-periodic oscillations (QPOs). A particularly puzzling aspect is the production of QPOs, which – if properly understood – could be used as a powerful diagnostic tool of black hole accretion and evolution. In this work, we analyse a high-resolution 3D general relativistic magnetohydrodynamic simulation of a geometrically thin accretion disc, which is tilted by 65° with respect to the black hole spin axis. We find that the Lense–Thirring torque from the rapidly spinning 10 M ⊙ black hole causes several sub-discs to tear off within ~10–20 gravitational radii. Tearing occurs in cycles on time-scales of seconds. During each tearing cycle, the inner sub-disc precesses for 1–5 periods before it falls into the black hole. We find a precession frequency of ~3 Hz, consistent with observed low-frequency QPOs. In addition, we find a high frequency QPO (HFQPO) with centroid frequency of ~55 Hz in the power spectra of the mass-weighted radius of the inner disc and the radial mass flux. This signal is caused by radial epicyclic oscillations of a dense ring of gas at the tearing radius, which suggests a corresponding modulation of the X-ray light curve and may thus explain some of the observed HFQPOs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Enhanced charge separation ability and visible light photocatalytic performance of graphitic carbon nitride by binary S, B co-doping

Highlights: • S, B hertroatoms were successfully doped into g-C{sub 3}N{sub 4} by thermal treatment. • S, B heteroatoms effectively change the intrinsic electronic structure of g-C{sub 3}N{sub 4}. • The SBCN shows much higher photocatalytic activity than CN, SCN and BCN. • The SBCN has high photocatalytic stability and reusability. - Abstract: As a metal-free visible light photocatalyst, the photocatalytic performance of graphitic carbon nitride (g-C{sub 3}N{sub 4}) is limited. To improve the activity of g-C{sub 3}N{sub 4}, we herein report a binary S, B co-doped g-C{sub 3}N{sub 4} (SBCN) by thermally treating the precursor mixture of thiourea, melamine and boron oxide. Characterization results show the obtained SBCN has ultrathin sheet-like morphology and these doped heteroatoms are uniform distributed in the sample. Compared to the pristine g-C{sub 3}N{sub 4}, the SBCN has a small band gap with additional absorption in visible light region, decreased photoluminescence emission and electric resistance and enhanced photocurrent response. These advantages endue SBCN with excellent photocatalytic activity for degradation of organic dyes, and its reaction rate is 6.5 times higher than that of the g-C{sub 3}N{sub 4}. Moreover, the successive cycles demonstrate that this SBCN possesses a superior stability and reusability. Finally, we propose a possible photocatalytic mechanism based on the band structure and mainly active species.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Engineering the switching dynamics of TiO{sub x}-based RRAM with Al doping

Titanium oxide (TiO{sub x}) has attracted a lot of attention as an active material for resistive random access memory (RRAM), due to its versatility and variety of possible crystal phases. Although existing RRAM materials have demonstrated impressive characteristics, like ultra-fast switching and high cycling endurance, this technology still encounters challenges like low yields, large variability of switching characteristics, and ultimately device failure. Electroforming has been often considered responsible for introducing irreversible damage to devices, with high switching voltages contributing to device degradation. In this paper, we have employed Al doping for tuning the resistive switching characteristics of titanium oxide RRAM. The resistive switching threshold voltages of undoped and Al-doped TiO{sub x} thin films were first assessed by conductive atomic force microscopy. The thin films were then transferred in RRAM devices and tested with voltage pulse sweeping, demonstrating that the Al-doped devices could on average form at lower potentials compared to the undoped ones and could support both analog and binary switching at potentials as low as 0.9 V. This work demonstrates a potential pathway for implementing low-power RRAM systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Experimental Capability for Preparation and Purification of Molten Salts to Support Advanced Reactor Concepts, Nuclear Hybrid Energy Systems and Dynamic Grid Energy Storage Concepts

High-temperature multi-fluid, multi-loop test facility to support thermal hydraulic, materials, and thermal energy storage research for nuclear and nuclear-hybrid applications is being developed at Idaho National Laboratory (INL). In its initial configuration, the facility will include a high-temperature helium loop, a liquid salt loop, and a hot water/steam loop. The three loops will be thermally coupled through an intermediate heat exchanger (IHX) and a secondary heat exchanger (SHX). Based on its relevance to advanced reactor systems, the new facility has been named the Advanced Reactor Technology Integral System Test (ARTIST) facility. The main objectives to be addressed with this facility include the characterization and performance evaluation of candidate compact heat exchangers at prototypical operating conditions, flow, and heat transfer issues related to core thermal hydraulics in advanced helium-cooled and salt-cooled reactors, and evaluation of corrosion behavior of new cladding materials and accident-tolerant fuels for light water reactors at prototypical conditions. Fluoride salt coolants are eutectic binary or tertiary mixtures of fluoride salts with melting points in the range of 320 to 500 deg. C. Fluoride high temperature reactors have reactor outlet temperatures of 600 deg. C or higher for high-efficiency power generation or process heat applications. To address research needs related to salt coolants experimental capability has been added to study thermodynamic properties such as melting point temperature, heat capacity, and thermal conductivity.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Improved detection of low-frequency within-host variants from deep sequencing: A case study with human papillomavirus

Abstract High-coverage sequencing allows the study of variants occurring at low frequencies within samples, but is susceptible to false-positives caused by sequencing error. Ion Torrent has a very low single nucleotide variant (SNV) error rate and has been employed for the majority of human papillomavirus (HPV) whole genome sequences. However, benchmarking of intrahost SNVs (iSNVs) has been challenging, partly due to limitations imposed by the HPV life cycle. We address this problem by deep sequencing three replicates for each of 31 samples of HPV type 18 (HPV18). Errors, defined as iSNVs observed in only one of three replicates, are dominated by C→T (G→A) changes, independently of trinucleotide context. True iSNVs, defined as those observed in all three replicates, instead show a more diverse SNV type distribution, with particularly elevated C→T rates in CCG context (CCG→CTG; CGG→CAG) and C→A rates in ACG context (ACG→AAG; CGT→CTT). Characterization of true iSNVs allowed us to develop two methods for detecting true variants: (1) VCFgenie, a dynamic binomial filtering tool which uses each variant’s allele count and coverage instead of fixed frequency cut-offs; and (2) a machine learning binary classifier which trains eXtreme Gradient Boosting models on variant features such as quality and trinucleotide context. Each approach outperforms fixed-cut-off filtering of iSNVs, and performance is enhanced when both are used together. Our results provide improved methods for identifying true iSNVs in within-host applications across sequencing platforms, specifically using HPV18 as a case study.

Virology↗
DOE OSTI2020

Discovery of a Candidate Binary Supermassive Black Hole in a Periodic Quasar from Circumbinary Accretion Variability

Binary supermassive black holes (BSBHs) are expected to be a generic byproduct from hierarchical galaxy formation. The final coalescence of BSBHs is thought to be the loudest gravitational wave (GW) siren, yet no confirmed BSBH is known in the GW-dominated regime. While periodic quasars have been proposed as BSBH candidates, the physical origin of the periodicity has been largely uncertain. Here we report discovery of a periodicity (P=1607±7 days) at 99.95% significance (with a global p-value of ~10 –3 accounting for the look elsewhere effect) in the optical light curves of a redshift 1.53 quasar, SDSS J025214.67–002813.7. Combining archival Sloan Digital Sky Survey data with new, sensitive imaging from the Dark Energy Survey, the total ~20-yr time baseline spans ~4.6 cycles of the observed 4.4-yr (restframe 1.7-yr) periodicity. The light curves are best fit by a bursty model predicted by hydrodynamic simulations of circumbinary accretion disks. The periodicity is likely caused by accretion rate modulation by a milli-parsec BSBH emitting GWs, dynamically coupled to the circumbinary accretion disk. A bursty hydrodynamic variability model is statistically preferred over a smooth, sinusoidal model expected from relativistic Doppler boost, a kinematic effect proposed for PG1302–102. Furthermore, the frequency dependence of the variability amplitudes disfavors Doppler boost, lending independent support to the circumbinary accretion variability hypothesis. Given our detection rate of one BSBH candidate from circumbinary accretion variability out of 625 quasars, it suggests that future large, sensitive synoptic surveys such as the Vera C. Rubin Observatory Legacy Survey of Space and Time may be able to detect hundreds to thousands of candidate BSBHs from circumbinary accretion with direct implications for Laser Interferometer Space Antenna.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

THE EFFECT OF TRANSIENT ACCRETION ON THE SPIN-UP OF MILLISECOND PULSARS

A millisecond pulsar is a neutron star that has been substantially spun up by accretion from a binary companion. A previously unrecognized factor governing the spin evolution of such pulsars is the crucial effect of nonsteady or transient accretion. We numerically compute the evolution of accreting neutron stars through a series of outburst and quiescent phases, considering the drastic variation of the accretion rate and the standard disk–magnetosphere interaction. We find that, for the same long-term average accretion rate, X-ray transients can spin up pulsars to rates several times higher than can persistent accretors, even when the spin-down due to electromagnetic radiation during quiescence is included. We also compute an analytical expression for the equilibrium spin frequency in transients, by taking spin equilibrium to mean that no net angular momentum is transferred to the neutron star in each outburst cycle. We find that the equilibrium spin rate for transients, which depends on the peak accretion rate during outbursts, can be much higher than that for persistent sources. This explains our numerical finding. This finding implies that any meaningful study of neutron star spin and magnetic field distributions requires the inclusion of the transient accretion effect, since most accreting neutron star sources are transients. Our finding also implies the existence of a submillisecond pulsar population, which is not observed. This may point to the need for a competing spin-down mechanism for the fastest-rotating accreting pulsars, such as gravitational radiation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

ORIGAMI Automator Primer. Automated ORIGEN Source Terms and Spent Fuel Storage Pool Analysis

Source terms and spent nuclear fuel (SNF) storage pool decay heat load analyses for operating nuclear power plants require a large number of Oak Ridge Isotope Generation and Depletion (ORIGEN) calculations. SNF source term calculations also require a significant amount of bookkeeping to track quantities such as core and assembly operating histories, spent fuel pool (SFP) residence times, heavy metal masses, and enrichments. The ORIGEN Assembly Isotopics (ORIGAMI) module in the SCALE code system provides a simple scheme for entering these data. However, given the large scope of the analysis, extensive scripting is necessary to convert formats and process data to create thousands of ORIGAMI input files (one per assembly) and to process the results into formats readily usable by follow-on analysis tools. This primer describes a project within the SCALE Fulcrum graphical user interface (GUI) called ORIGAMI Automator that was developed to automate the scripting and bookkeeping in large-scale source term analyses. The ORIGAMI Automator enables the analyst to (1) easily create, view, and edit the reactor site and assembly information, (2) automatically create and run ORIGAMI inputs, and (3) analyze the results from ORIGAMI. ORIGAMI Automator uses the standard ORIGEN binary concentrations files produced by ORIGAMI, with concentrations available at all time points in each assembly’s life. The GUI plots results such as mass, concentration, activity, and decay heat using a powerful new ORIGEN Post-Processing Utility for SCALE (OPUS) GUI component. This document includes a description and user guide for the GUI, a step-by-step tutorial for a simplified scenario, and appendices that document the file structures used.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗