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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Time-resolved measurement of subchannel void distribution for boiling two-phase flow in 5 x 5 rod bundle at high-pressure and high-temperature

A subchannel void sensor (SCVS) was improved to acquire time-resolve boiling two-phase flow in a 5-by-5 heated rod bundle at high-pressure and high-temperature. The SCVS consists of 6-by-6 wire electrodes and 5-by-5 rod electrodes. The SCVS can acquire a time series data of local void fraction at 32 points of central subchannel region in addition to 100 points of rod surface regions between rods. The devised sensors are installed in the heated rod bundle at eight height levels to acquire two-phase flow dynamics and its development. The axial and radial power profile of the heated rod bundle are uniform, and eight pairs of sheath thermocouples are embedded on the heated rod to monitor its surface temperature distribution. The paper addresses the axial and cross-sectional distributions of void fraction at various pressure and rod bundle power conditions, which simulates an accidental condition in reactor core and in a spent fuel pool of a boiling water reactor (BWR). The experimental data are suitable to validate the computational multi-fluid dynamics (CMFD) and subchannel codes. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Mass Distribution in Galaxy Cluster Cores

Many processes within galaxy clusters, such as those believed to govern the onset of thermally unstable cooling and active galactic nucleus feedback, are dependent upon local dynamical timescales. However, accurate mapping of the mass distribution within individual clusters is challenging, particularly toward cluster centers where the total mass budget has substantial radially dependent contributions from the stellar ( M {sub *}), gas ( M {sub gas}), and dark matter ( M {sub DM}) components. In this paper we use a small sample of galaxy clusters with deep Chandra observations and good ancillary tracers of their gravitating mass at both large and small radii to develop a method for determining mass profiles that span a wide radial range and extend down into the central galaxy. We also consider potential observational pitfalls in understanding cooling in hot cluster atmospheres, and find tentative evidence for a relationship between the radial extent of cooling X-ray gas and nebular H α emission in cool-core clusters. At large radii the entropy profiles of our clusters agree with the baseline power law of K ∝ r {sup 1.1} expected from gravity alone. At smaller radii our entropy profiles become shallower but continue with a power law of the form K ∝ r {sup 0.67} down to our resolution limit. Among this small sample of cool-core clusters we therefore find no support for the existence of a central flat “entropy floor.”.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

A valine-to-lysine substitution at position 210 induces structural conversion of prion protein into a β-sheet rich oligomer

Highlights: • A V210I mutation has been associated with pathogenic conversion of PrP to PrP{sup Sc}. • A V210K mutation (but not the V210I mutation) impacts on the PrP structure. • The resulting structure adopts a β-sheet-rich oligomer with low stability. • A lysine substitution in the hydrophobic core induces the α→β conversion in vitro. Prion diseases are fatal neurodegenerative diseases associated with structural conversion of α-helical prion protein (PrP) into its β-sheet rich isoform (PrP{sup Sc}). Previous genetic analyses have indicated that several amino acid residues involved in the hydrophobic core of PrP (such as V180, F198, and V210) play a critical role in the development of prion diseases. To understand how these hydrophobic residues would contribute to the α-to-β conversion process of PrP, we substituted the V210 residue with bulkier (V210F, V210I, and V210L), smaller (V210A), and charged amino acids (V210K) and characterized its effects. Interestingly, although most of the mutations had little or no effect on the biochemical properties of PrP, the V210K mutation induced structural conversion of PrP into a β-structure. The β-inducing effect was prominent and observed even under a physiological condition (i.e., in the absence of denaturant, acidic pH, reducing agent, and high temperature) in contrast to the disease-associated mutations in the PrP gene. We also examined structural features of V210K PrP using guanidine-hydrochloride unfolding, dynamic light scattering, 8-anilino-1-naphthalene sulfonate fluorescence, and electron microscopy, and revealed that V210K PrP assembles into a non-fibrillar β-rich oligomer. Thus, the α-to-β conversion can be induced by introduction of a charged residue into the hydrophobic core, which provide novel insight into the structural dynamics of PrP.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Structure and Shape of Surface-Mediated Assembly of Surfactants

Achieving controls on the self-assembly of cationic and block copolymer micelles has significant implications for advancing novel material systems for energy, environmental, and biological applications and for tuning fluid flow behavior in subsurface geologic environments. While it is known that the aggregation of micelles is influenced by the composition of the surrounding fluid, the influence of a solid interface has been less explored. In this study, we probe the organization of cetyltrimethylammonium bromide (CTAB) micelles in the absence and presence of the Pluronic P123 block copolymer and quartz substrate using transmission and grazing-incidence small-angle X-ray scattering measurements and classical molecular dynamics (MD) simulations. In the absence of the quartz interface, CTAB with and without P123 molecules assemble as ellipsoid core–shell micelles. Densification of the core on adding P123 is noted from the decrease in the core radius from 15.9 to 14.6 Å. Here, the presence of a quartz substrate causes the micelles to elongate, which is noted by the emergence of a power-law slope in the low q region (<0.02 Å –1 ). Moreover, in the presence of both P123 and the quartz substrate, the micelle shape changes from ellipsoid core–shell to cylindrical core–shell, and a significantly higher number of aggregates are formed. The higher number of aggregates, and faster aggregation kinetics are linked to the organization of the solvent structures as noted from the MD simulations. These findings demonstrate the effects of adding a block copolymer and including a quartz substrate on the self-assembly of cationic (CTAB) micelles, which can be used to inform the design of functional material systems that harness surfactant chemistries.

42 ENGINEERING↗
NASA NTRSDate not supplied

Wake Vortex Effects Between Urban Air Mobility Aircraft

This study models the wake-induced downwash of an Urban Air Mobility (UAM) aircraft and the wake’s effects on a trailing aircraft’s dynamic stability when intersecting the wake trail. The Proctor wake vortex model is used to compute the wake-induced downwash over a 0.8 × 0.8 nautical mile flight area. The model is complemented by core radius growth, Proctor single phase wake decay, wake propagation, and Lamb wake aging. The wake data is then stored and loaded to the trailing aircraft as an atmospheric condition to affect the dynamics. Preliminary simulations include modeling the downwash from multiple UAM aircraft over the flight area and determining the normalized wake reduction at the ICAO 5 nautical mile separation criteria for a LIGHT aircraft trailing a MEDIUM aircraft.

Wake Vortex↗
NASA NTRS2003

Nonlinear Gulf Stream Interaction with the Deep Western Boundary Current System: Observations and a Numerical Simulation

Gulf Stream (GS) separation near its observed Cape Hatteras (CH) separation location, and its ensuing path and dynamics, is a challenging ocean modeling problem. If a model GS separates much farther north than CH, then northward GS meanders, which pinch off warm core eddies (rings), are not possible or are strongly constrained by the Grand Banks shelfbreak. Cold core rings pinch off the southward GS meanders. The rings are often re-absorbed by the GS. The important warm core rings enhance heat exchange and, especially, affect the northern GS branch after GS bifurcation near the New England Seamount Chain. This northern branch gains heat by contact with the southern branch water upstream of bifurcation, and warms the Arctic Ocean and northern seas, thus playing a major role in ice dynamics, thermohaline circulation and possible global climate warming. These rings transport heat northward between the separated GS and shelf slope/Deep Western Boundary Current system (DWBC). This region has nearly level time mean isopycnals. The eddy heat transport convergence/divergence enhances the shelfbreak and GS front intensities and thus also increases watermass transformation. The fronts are maintained by warm advection by the Florida Current and cool advection by the DWBC. Thus, the GS interaction with the DWBC through the intermediate eddy field is climatologically important.

Dietrich, David E.↗
DOE OSTI2019

Global Optimization of Adsorbate Covered Supported Cluster Catalysts: The Case of Pt 7 H 10 CH 3 on α-Al 2 O 3

Determining structures of supported sub-nanometer catalytic clusters is important for finding binding sites, active sites, and reaction mechanisms. In realistic conditions, the cluster may be covered with adsorbed reactants and intermediates, which strongly affect the structure of the cluster compared to the low coverage regime. The global optimization of supported adsorbate-covered clusters is not possible with existing methods. In this paper, we present a customized Basin Hopping (BH) approach, with a core (metal cluster) – shell (adsorbates) separation scheme, and perform first applications to the search of low-energy isomers of Pt 7 /α-Al 2 O 3 at high hydrogen coverage (10H). The presence of adsorbates significantly alters the low-energy isomers compared to bare Pt 7 /α-Al 2 O 3 . Molecular dynamics simulations additionally show the different time-scales associated with the mobility of H and Pt atoms. The revised BH method with core-shell separation presents key advantages for the structural exploration of adsorbate-covered supported catalysts, relevant to realistic catalytic conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Atomic Structure and Dynamics of Unusual and Wide-Gap Phase-Change Chalcogenides: A GeTe 2 Case

Brain-inspired computing, reconfigurable optical metamaterials, photonic tensor cores, and many other advanced applications require next-generation phase-change materials (PCMs) with better energy efficiency and a wider thermal and spectral range for reliable operations. Germanium ditelluride (GeTe 2 ), with higher thermal stability and a larger bandgap compared to current benchmark PCMs, appears promising for THz metasurfaces and the controlled crystallization of atomically thin 2D materials. Using high-energy X-Ray diffraction supported by first-principles simulation, the atomic structure in semiconducting pulsed laser deposition films and metallic high-temperature liquids is investigated. The results suggest that the structural and chemical metastability of GeTe 2 , leading to disproportionation into GeTe and Te, is related to high internal pressure during a semiconductor–metal transition, presumably occurring in the supercooled melt. Similar phenomena are expected for canonical GeS 2 and GeSe 2 under high temperatures and pressures.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Symmetrized Drude Oscillator Force Fields Improve Numerical Performance of Polarizable Molecular Dynamics

Drude oscillator potentials are a popular and computationally efficient class of polarizable models that represent each polarizable atom as a positively charged Drude core harmonically bound to a negatively charged Drude shell. Here we show that existing force fields that place all non-Coulomb forces on the Drude core and none on the shell inadvertently couple the dipole to non-Coulombic forces. This introduces errors where interactions with neutral particles can erroneously induce atomic polarization, leading to spurious polarizations in the absence of an electric field, exacerbating violations of equipartition in the employed Carr–Parinello scheme. A suitable symmetrization of the interaction potential that correctly splits the force between the Drude core and shell can correct this shortcoming, improving the stability and numerical performance of Drude oscillator-based simulations. The symmetrization procedure is straightforward and only requires the rescaling of a few force field parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

The GUINEVERE experiment: First PNS measurements in a lead moderated sub-critical fast core

The GUINEVERE (Generation of Uninterrupted Intense Neutrons at the lead Venus Reactor) experimental program is dedicated to the study of Accelerator Driven System reactivity monitoring. It was partly carried out within the EUROTRANS integrated project (EURATOM FP6). GUINEVERE consists in coupling the fast core of the VENUS-F reactor (SCK-CEN, Mol (Belgium)), composed of enriched uranium and solid lead, with a T(d,n) neutron source provided by the GENEPI-3C deuteron accelerator. This neutron source can be operated in several modes: pulsed mode, continuous mode and also continuous mode with short beam interruptions (the so called 'beam trips'). In the past, the key questions of the reactivity control and monitoring in a subcritical system were studied in the MUSE experiments (1998-2004). These experiments highlighted the difficulty to determine precisely the reactivity with a single technique. This led to investigate a new strategy which is based on the combination of the relative reactivity monitoring via the core power to beam current relationship with absolute reactivity cross-checks during programmed beam interruptions. Consequently, to determine the reactivity, several dynamical techniques of reactivity determination have to be compared. In addition, their accuracy for absolute reactivity determination must be evaluated using a reference reactivity determination technique (from a critical state: rod drop and MSM measurements). The first sub-critical configuration which was studied was around k{sub eff} = 0.96 (SCI). Pulsed Neutron Source experiments (PNS) were carried out. The neutron population decrease was measured using fission chambers in different locations inside the core and the reflector. Neutron population time decrease was analyzed using fitting techniques and the Area Method Results obtained for the SCI reactivity will be shown, discussed and compared to the reference value given by the MSM method. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

CHANDRA and XMM-NEWTON observations of the bimodal PLANCK SZ -detected clustered CKG345.40-39.34 (A3716) with high and low entropy subcluster cores

Here, we present results from Chandra, XMM-Newton, and ROSAT observations of the Planck SZ-detected cluster A3716 (PLCKG345.40-39.34-G345). We show that G345 is, in fact, two subclusters separated on the sky by 400 kpc. We measure the subclusters' gas temperatures (~2–3 keV), total (~1–2 × 10 14 ${{M}_{\odot }}$) and gas (~1–2 × 10 13 ${{M}_{\odot }}$) masses, gas mass fraction within r500, entropy profiles, and X-ray luminosities (~10 43 erg s -1 ). Using the gas density and temperature profiles for both subclusters, we show that there is good (0.8σ) agreement between the expected Sunyaev–Zel'dovich signal predicted from the X-ray data and that measured from the Planck mission, and better agreement within 0.6σ when we re-computed the Planck value assuming a two component cluster model, with relative amplitudes fixed based on the X-ray data. Dynamical analysis shows that the two galaxy subclusters are very likely ($\gt 97\%$ probability) gravitationally bound, and in the most likely scenario, the subclusters will undergo core passage in 500 ± 200 Myr. The northern subcluster is centrally peaked and has a low entropy core, while the southern subcluster has a high central entropy. Finally, the high central entropy in the southern subcluster can be explained either by the mergers of several groups, as suggested by the presence of five giant ellipticals or by active galactic nucleus energy injection, as suggested by the presence of a strong radio source in one of its massive elliptical galaxies, or by a combination of both processes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

The Beam Dynamics Updates of the Fermilab PIP-II 800 MeV Superconducting LINAC

The Proton Improvement Plan (PIP) -II is a high inten-sity proton facility being developed to support a neutrino program over the next two decades at Fermilab. At its core is the design and construction of a Continuous Wave (CW) compatible superconducting radio frequency (SRF) linear accelerator that would accelerate an average beam current of 2 mA up to 800 MeV. This paper presents recent updates in the beam dynamics leading to a reliable and robust linac design and simplifying the cryomodule assembly.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

X-ray FEL linear accelerator design via start-to-end global optimization

An X-ray Free Electron Laser (FEL) prefers using an electron beam with low emittance, small energy spread, and a high core current to generate coherent radiation through an undulator. In order to attain such a high brightness beam, the linear accelerator beam dynamics design generally involves separate photoinjector optimization and linac optimization. In this paper, we propose a new beam dynamics design strategy based on global optimization with fast start-to-end simulations from the photocathode to the end of the accelerator. The new start-to-end model significantly reduces the simulation time and makes the global optimization practical. The global optimization method avoids the need to choose a single solution based on bunch length at the injector exit for the linac optimization and helps find the solution with unfavorable bunch length at the injector exit but better phase space distribution that can result in better final electron beam phase space distribution at the entrance of the undulator. Here, using the start-to-end global optimization, we showed in an application example, with a 100 pC beam that good transverse emittance and over kilo-Ampere final core current can be attained using a photoinjector that consists of a VHF gun and boosting RF cavities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Near–Band–Edge Enhancement in Perovskite Solar Cells via Tunable Surface Plasmons

Plasmonic perovskite solar cells (PSCs) using core-shell type plasmonic particles are designed, which possess the plasmon resonance in the near-infrared range. This can selectively strengthen the interaction of the perovskite layer with low-energy photons. The mesoporous PSCs employing the plasmonic particles have delivered a 10%-15% enhancement of external quantum efficiency in the plasmonic resonance range. This surface-plasmonic effect has been analyzed using complementary techniques, including selective wavelength excitation and time-dependent photoluminescence. Here it is shown that the metal-based core-shell-type plasmonic structures in PSCs optimize the scattering and absorption of incident light and the dynamics of photogenerated carriers. Furthermore, both optical and electronic effects increase the power conversion efficiency of PSCs from 17.49% to 19.88%, paving a way toward controlling the thickness of the photoactive layer for advanced devices such as tandem solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhancing Composite Toughness Through Hierarchical Interphase Formation

High strength and ductility are highly desired in fiber-reinforced composites, yet achieving both simultaneously remains elusive. A hierarchical architecture is developed utilizing high aspect ratio chemically transformable thermoplastic nanofibers that form covalent bonding with the matrix to toughen the fiber-matrix interphase. The nanoscale fibers are electrospun on the micrometer-scale reinforcing carbon fiber, creating a physically intertwined, randomly oriented scaffold. Unlike conventional covalent bonding of matrix molecules with reinforcing fibers, here, the nanofiber scaffold is utilized - interacting non-covalently with core fiber but bridging covalently with polymer matrix - to create a high volume fraction of immobilized matrix or interphase around core reinforcing elements. This mechanism enables efficient fiber-matrix stress transfer and enhances composite toughness. Molecular dynamics simulation reveals enhancement of the fiber-matrix adhesion facilitated by nanofiber-aided hierarchical bonding with the matrix. The elastic modulus contours of interphase regions obtained from atomic force microscopy clearly indicate the formation of stiffer interphase. These nanoengineered composites exhibit a ≈60% and ≈100% improved in-plane shear strength and toughness, respectively. This approach opens a new avenue for manufacturing toughened high-performance composites.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multi-scale and multi-technic microstructure analysis of a linear friction weld of the metastable-β titanium alloy Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti17) towards a new Post-Weld Heat Treatment

Highlights: • Soft joint showing sharp macro-zones and marked by asymmetrical process effects • Gradient of thermomechanical loads identified through progressive stages of transformation • Highly textured recrystallized β grains at the joint core with distorted β lattice • Lattices, phase fractions, microstructures and hardness homogenized after heat treatment - Abstract: Linear Friction Welding (LFW) is a solid-state joining process producing narrow joints mainly developed for the aircraft industry. The Thermo-Mechanical Processing (TMP) loads imposed on the material cause complex microstructure transformations. This study aimed at characterizing the local microstructures and crystallographic configurations to identify the mechanisms impacting the stability and the mechanical properties of a Ti17 LFW joint with the objective of establishing an innovative homogenizing Post-Weld Heat Treatment (PWHT). The process caused a narrow zone of ±2 mm from the friction interface to reach the isothermal α → β transformation temperature under a heating rate of 500 K/s followed by quenching (−100 K/s). The TMP resulted in the formation a ±3 mm wide soft Process Affected Zone (PAZ) delimited by three characteristic zones: the Welding Line (WL width ≈ 400 μm), The Thermo-Mechanically Affected Zone (TMAZ width ≈ 1 mm) and the Heat Affected Zone (HAZ). β TMP resulted in the total dissolution of the α phase in the joint core (WL + TMAZ) and formed strongly textured {110}<111> β recrystallized grains in the WL by continuous dynamic recrystallization of squeezed prior-β grains in the TMAZ. α + β TMP led to a gradual loss of hardness in the HAZ whose microstructure is similar to the one of the base material (BM) but is subject to gradual α laths dissolution due to the local temperatures experienced during LFW. A PWHT consisting in a β annealing followed by an α + β ageing resulted in a uniformly hardened weld with a homogenized Widmanstätten microstructure in the whole assembly.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hetero-site Double Core Ionization Energies with Sub-electronvolt Accuracy from Delta-Coupled-Cluster Calculations

Benchmark scalar-relativistic delta-coupled-cluster calculations of hetero-site double core ionization energies of small molecules containing second-row elements are reported. The present study has focused on the high-spin triplet components of two-site double core-ionized states, which are single reference in character and consistent with the use of standard coupledcluster methods. Contributions to computed double core ionization energies from electron-correlation and basis-set effects as well as corrections to the core-valence separation approximation have been analyzed. Furthermore, on the basis of systematic convergence of computational results with respect to these effects, delta-coupled-cluster calculations have been shown to be capable of providing accurate double core ionization energies with remaining errors estimated to be below 0.3 eV, and thus they are recommended for use to facilitate experimental studies of two-site double core-ionized states that are involved in X-ray pump/X-ray probe studies of electronic and molecular dynamics following inner shell ionization or excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Effects of intermediate mass black holes on nuclear star clusters

Nuclear star clusters (NSCs) are dense stellar clusters observed in galactic nuclei, typically hosting a central massive black hole. Here we study the possible formation and evolution of NSCs through the inspiral of multiple star clusters hosting intermediate mass black holes (IMBHs). Using an N-body code, we examine the dynamics of the IMBHs and their effects on the NSC. We find that IMBHs inspiral to the core of the newly formed NSC and segregate there. Although the IMBHs scatter each other and the stars, none of them is ejected from the NSC. The IMBHs are excited to high eccentricities and their radial density profile develops a steep power-law cusp. The stars also develop a power-law cusp (instead of the central core that forms in their absence), but with a shallower slope. The relaxation rate of the NSC is accelerated due to the presence of IMBHs, which act as massive perturbers. This in turn fills the loss cone and boosts the tidal disruption rate of stars both by the MBH and the IMBHs to a value excluded by rate estimates based on current observations. Rate estimates of tidal disruptions can therefore provide a cumulative constraint on the existence of IMBHs in NSCs.

79 ASTRONOMY AND ASTROPHYSICS↗