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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 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Photofragmentation of Tetranitromethane: Spin-Unrestricted Time-Dependent Excited-State Molecular Dynamics

In this study, the photofragmentation dynamics of tetranitromethane (TNM) is explored by a spin-unrestricted time-dependent excited-state molecular dynamics (u-TDESMD) algorithm based on Rabi oscillations and principles similar to trajectory surface hopping, with a midintensity field approximation. The leading order process is represented by the molecule undergoing cyclic excitations and de-excitations. During excitation cycles, the nuclear kinetic energy is accumulated to overcome the dissociation barriers in the reactant and a sequence of intermediates. The dissociation pathway includes the ejection of NO 2 groups followed by the formation of NO and CO. The simulated mass spectra at the ab initio level, based on the bond length in possible fragments, are extracted from simulation trajectories. Finally, the recently developed methodology has the potential to model and monitor photoreactions with open-shell intermediates and radicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Low irradiance multiphoton imaging with alloyed lanthanide nanocrystals

Abstract Multiphoton imaging techniques that convert low-energy excitation to higher energy emission are widely used to improve signal over background, reduce scatter, and limit photodamage. Lanthanide-doped upconverting nanoparticles (UCNPs) are among the most efficient multiphoton probes, but even UCNPs with optimized lanthanide dopant levels require laser intensities that may be problematic. Here, we develop protein-sized, alloyed UCNPs (aUCNPs) that can be imaged individually at laser intensities >300-fold lower than needed for comparably sized doped UCNPs. Using single UCNP characterization and kinetic modeling, we find that addition of inert shells changes optimal lanthanide content from Yb 3+ , Er 3+ -doped NaYF 4 nanocrystals to fully alloyed compositions. At high levels, emitter Er 3+ ions can adopt a second role to enhance aUCNP absorption cross-section by desaturating sensitizer Yb 3+ or by absorbing photons directly. Core/shell aUCNPs 12 nm in total diameter can be imaged through deep tissue in live mice using a laser intensity of 0.1 W cm −2 .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Multi-frequency observations of a superbubble in the LMC: The case of LHA 120-N 70

We present a detailed study of new Australia Telescope Compact Array and XMM-Newton observations of LHA 120-N 70 (hereafter N 70), a spherically shaped object in the Large Magellanic Cloud, classified as a superbubble. Both archival and new observations were used to produce high quality radio continuum, X-ray, and optical images. The radio spectral index of N 70 is estimated to be α = –0.12 ± 0.06, indicating that while a supernova (SN) or supernovae have occurred in the region at some time in the distant past, N 70 is not the remnant of a single specific SN. N 70 exhibits limited polarization with a maximum fractional polarization of 9% in a small area of the northwest limb. We estimate the size of N 70 to have a diameter of 104 pc (±1 pc). The morphology of N 70 in X-rays closely follows that in radio and optical, with most X-ray emission confined within the bright shell seen at longer wavelengths. Purely thermal models adequately fit the soft X-ray spectrum which lacks harder emission (above 1 keV). We also examine the pressure output of N 70 where the values for the hot (P {sub X}) and warm (P{sub H} {sub II}) phases are consistent with other studied H II regions. However, the dust-processed radiation pressure (P {sub IR}) is significantly smaller than in any other object studied in Lopez et al. N 70 is a very complex region that is likely to have had multiple factors contributing to both the origin and evolution of the entire region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

GeV EMISSION DURING X-RAY FLARES FROM LATE INTERNAL SHOCKS: APPLICATION TO GRB 100728A

Recently, the GeV radiation during the X-ray flare activity in GRB 100728A was detected by Fermi/LAT. Here, we study the dynamics and emission properties of a collision between two homogeneous shells based on the late internal shock model. The GeV photons can be produced from X-ray flare photons being upscattered by relativistic electrons that are accelerated by forward-reverse shocks, where the involved radiative processes include synchrotron self-Compton and crossing inverse-Compton scattering. Using analytical and numerical calculations, the observed spectral properties in GRB 100728A can be well explained.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Simulation of metal nanoparticles growth in methane atmosphere of arc discharge: comparison to experiment

A direct current arc discharge in a methane atmosphere is a scalable and sustainable method to produce metal-carbon core–shell nanoparticles and single-walled carbon nanotubes, where a metal catalyst can be continuously supplied through evaporation of an anode made from the catalyst material. The size of catalyst particles is of critical importance as it can affect the synthesis yield and properties of nanotubes and core–shell nanoparticles. This study presents a numerical model describing the formation and growth of metal particles for the conditions representative of the arc discharge with an evaporating iron anode at near-atmospheric pressure of a methane-rich atmosphere. The model incorporates carbon adsorption to the metal surface and explains the limiting effect of carbon coverage on the size of metal nanoparticles. The predicted particle sizes are compared with experimental observations. The model also predicts higher concentrations of metal particles with the increasing partial pressure of methane.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Failure Assessments for MQXF Magnet Support Structure with a Graded Approach

The High-Luminosity Large Hadron Collider (HLLHC) upgrade requires new quadrupoles, MQXF, to replace the present LHC inner triplets. The MQXFA magnet is the first prototype that has a 150 mm aperture and uses Nb 3 Sn superconducting technology in a 4.2 m magnetic length structure. The support structure design of the MQXFA magnet is based on the bladder-and-key technology, where a relatively low pre-stress at room temperature is increased to the final preload targets during the cool-down by the differential thermal contraction of the various components. The magnet support structure components experience different load levels from pre-load to cool-down and excitation. Consequently, a few parts experience high stresses that may cause localized plastic deformations or internal fracture development. The concept presented in this paper for the failure assessment of support structures integrates nonlinear finite element analysis with detailed sub-models and fracture mechanics into an advanced engineering tool. The nonlinear FE solutions enable estimations of the structural response to the given loads, and the advanced fracture analysis with failure assessment diagram (FAD) assesses the structure safety index of results obtained from the FE model. The study describes how the MQXFA shell end segments are being optimized based on the failure analyses.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Critical points of metal vapors

A new method is proposed for calculating the parameters of critical points and binodals for the vapor–liquid (insulator–metal) phase transition in vapors of metals with multielectron valence shells. The method is based on a model developed earlier for the vapors of alkali metals, atomic hydrogen, and exciton gas, proceeding from the assumption that the cohesion determining the basic characteristics of metals under normal conditions is also responsible for their properties in the vicinity of the critical point. It is proposed to calculate the cohesion of multielectron atoms using well-known scaling relations for the binding energy, which are constructed for most metals in the periodic table by processing the results of many numerical calculations. The adopted model allows the parameters of critical points and binodals for the vapor–liquid phase transition in metal vapors to be calculated using published data on the properties of metals under normal conditions. The parameters of critical points have been calculated for a large number of metals and show satisfactory agreement with experimental data for alkali metals and with available estimates for all other metals. Binodals of metals have been calculated for the first time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Vadose Zone Model for B Complex for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3. Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The scope of this ECF is to document the development and results of the B Complex vadose zone model. The B Complex model encompasses the region around single-shell tank farms 241-B, 241-BX, and 241-BY, and adjacent cribs, trenches, and burial grounds in the northwestern part of the 200 East Area. Sources of waste to this area were primarily from B Plant (221-B) and U Plant (221-U).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

The hot companion and circumbinary disk of the be star HR 2142

We present a spectroscopic investigation of the Be+sdO binary system HR 2142 that is based upon large sets of ultraviolet observations from the International Ultraviolet Explorer (IUE) and ground-based Hα observations. We measured radial velocities for the Be star component from these spectra and computed a revised orbit. In order to search for the spectral signature of the hot subdwarf, we cross-correlated the short wavelength end of each IUE spectrum with a model hot star spectrum, and then we used the predicted Doppler shifts of the subdwarf to shift-and-add all the cross-correlation functions to the frame of the subdwarf. This merged function shows the weak signal from the spectral lines of the hot star, and a best fit is obtained with a mass ratio M{sub 2}/M{sub 1}=0.07±0.02, companion temperature T{sub eff}⩾43±5 kK, projected rotational velocity Vsin i<30 km s{sup −1}, and a monochromatic flux ratio near 1170 Å of f{sub 2}/f{sub 1}>0.009±0.001. This hot subdwarf creates a one-armed spiral, tidal wake in the disk of the Be star, and we present a circumbinary disk model that can explain the occurrence of shell absorption lines by gas enhancements that occur where gas crossing the gap created by the subdwarf strikes the disk boundaries. The faint companion of HR 2142 may be representative of a significant fraction of Be stars with undetected former mass donor companion stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Exploring Fundamentally Three-dimensional Phenomena in High-fidelity Simulations of Core-collapse Supernovae

The details of the physical mechanism that drives core-collapse supernovae (CCSNe) remain uncertain. While there is an emerging consensus on the qualitative outcome of detailed CCSN mechanism simulations in 2D, only recently have high-fidelity 3D simulations become possible. In this work, we present the results of an extensive set of 3D CCSN simulations using high-fidelity multidimensional neutrino transport, high-resolution hydrodynamics, and approximate general relativistic gravity. We employ a state-of-the-art 20 M ⊙ progenitor generated using Modules for Experiments in Stellar Astrophysics, and the SFHo equation of state. While none of our 3D CCSN simulations explode within ~500 ms after core bounce, we find that the presence of large-scale aspherical motion in the Si and O shells aid shock expansion and bring the models closer to the threshold of explosion. We also find some dependence on resolution and geometry (octant versus full 4π). As has been noted in other recent works, we find that the post-shock turbulence plays an important role in determining the overall dynamical evolution of our simulations. We find a strong standing accretion shock instability (SASI) that develops at late times. The SASI produces transient shock expansions, but these do not result in any explosions. We also report that for a subset of our simulations, we find conclusive evidence for the lepton-number emission self-sustained asymmetry, which until now has not been confirmed by independent simulation codes. Finally, both the progenitor asphericities and the SASI-induced transient shock expansion phases generate transient gravitational waves and neutrino signal modulations via perturbations of the protoneutron star by turbulent motions.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1975

Propulsion system structural integration and engine integrity; Proceedings of the Symposium, U.S. Naval Postgraduate School, Monterey, Calif., September 3-6, 1974

Current problems involving the structural integrity of propulsion systems, and proposed approaches to solving them, are reviewed. Areas investigated include the stall hammershock at the engine inlet, distortion-induced vibration in fan and compressor blading, modeling engine static structures with conical-shell finite elements, design and development of low-cost, self-contained bearing lubrication systems for turbine engines, and roller bearing slip and skidding damage. Individual items are announced in this issue.

Walker, W. J.↗
NASA NTRS1978

Pulsational stabilities of a star in thermal imbalance - Comparison between the methods

The stability coefficients for quasi-adiabatic pulsations for a model in thermal imbalance are evaluated using the dynamical energy (DE) approach, the total (kinetic plus potential) energy (TE) approach, and the small amplitude (SA) approaches. From a comparison among the methods, it is found that there can exist two distinct stability coefficients under conditions of thermal imbalance as pointed out by Demaret. It is shown that both the TE approaches lead to one stability coefficient, while both the SA approaches lead to another coefficient. The coefficient obtained through the energy approaches is identified as the one which determines the stability of the velocity amplitudes. For a prenova model with a thin hydrogen-burning shell in thermal imbalance, several radial modes are found to be unstable both for radial displacements and for velocity amplitudes. However, a new kind of pulsational instability also appears, viz., while the radial displacements are unstable, the velocity amplitudes may be stabilized through the thermal imbalance terms.

Vemury, S. K.↗
NASA NTRS1978

Martian lithospheric thickness from elastic flexure theory

The thickness of the elastic lithosphere in the Tharsis region of Mars is estimated from effects due to the surface load of Olympus Mons. Deformation (vertical displacement) and stress are calculated using elastic flexure theory for a range of possible lithospheric thicknesses (T), modeling the lithosphere as a thin elastic shell and the interior as a Newtonian fluid. For T below 150 km, displacement and stress rise rapidly with decreasing thickness. For T near 100 km, deformation of the region surrounding the volcano would be clearly visible in the topography, and resulting tensional stresses exceeding 5 kbar should produce observable fracturing at the surface. In contrast, for T near 200 km deformation is minimal and the tensional stress, being less than a kilobar, would not result in extensive fracturing. Since significant deformation and fracturing are not observed, it is concluded that the Martian elastic lithosphere is at least 150 km in thickness. Seismic, tectonic, and gravity observations all suggest a thick Martian lithosphere as well.

Thurber, C. H.↗

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