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At least 541 records · Page 30

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DOE OSTI2019

How does acetonitrile modulate single-walled carbon nanotube diameter during CVD growth?

There is a commercial demand for single-walled carbon nanotubes (SWCNTs) with uniform diameters and ( n, m ) chiralities. Yet, controlling these structural parameters in practice remains a challenge. Recent studies have shown that acetonitrile reversibly modulates SWCNT diameter during chemical vapour deposition (CVD) growth. Here we propose a mechanism to explain this phenomenon using non-equilibrium quantum chemical molecular dynamics simulations. We reveal that acetonitrile-derived radicals actively abstract hydrogen from surface hydrocarbon species as the SWCNT nucleates. This forms hydrogen (iso)-cyanide as a principal chemical product, and decreases the overall surface carbon density during nucleation. By liberating hydrogen, the number of dangling bonds present at the interface of the nucleating carbon structure is increased, which in turn accelerates SWCNT nucleation kinetics. Critically, the number of pentagon rings formed in the SWCNT precursor cap structure increases. Because the nucleation kinetics are much faster than the kinetics of ring defect healing, the pentagons become ‘trapped’ in the growing SWCNT cap structure, and this leads to more highly-curved SWCNT caps. As a result, these more highly-curved caps, combined with the lower surface carbon density and the faster kinetics of nucleation and growth, will ultimately yield narrower-diameter SWCNTs in the presence of acetonitrile.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Collective modes in two-dimensional one-component-plasma with logarithmic interaction

The collective modes of a familiar two-dimensional one-component-plasma with the repulsive logarithmic interaction between the particles are analysed using the quasi-crystalline approximation (QCA) combined with the molecular dynamic simulation of the equilibrium structural properties. It is found that the dispersion curves in the strongly coupled regime are virtually independent of the coupling strength. Arguments based on the excluded volume consideration for the radial distribution function allow us to derive very simple expressions for the dispersion relations, which show excellent agreement with the exact QCA dispersion over the entire domain of wavelengths. Comparison with the results of the conventional fluid analysis is performed, and the difference is explained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Structural, magneto transport and magnetic properties of Ruddlesden–Popper La 2-2x Sr 1+2x Mn 2 O 7 (0.42≤x≤0.52) layered manganites

The magneto transport of Ruddlesden–Popper, La 2-2x Sr 1+2x Mn 2 O 7 (0.42≤x≤0.52), 2-dimensional bilayered manganites have been investigated in a broad temperature range. The samples have been synthesized using the solid-state reaction method. Rietveld refinement of the X-ray diffraction data indicates the tetragonal structure formation with I4/mmm space group. The resistivity curves of the samples present a general characteristic of metal-insulator (MI) transition at certain temperature (T MI ). Besides, for samples with x = 0.48, 0.50, and 0.52, at a certain temperature (T CO ) well below T MI the charge ordering is also evident. Furthermore, the samples display a shallow upturn in resistivity below T min due to the Kondo like spin scattering effect, weak localization and electron-phonon interaction. The high temperature semiconducting (T>T MI ) region, the resistivity curve follows the 3D Mott’s variable hopping transport mechanism. The overall suppression of resistivity accounts for a substantial magnetoresistance by applying a magnetic field and the characteristic change in T MI , T CO , and T min are discussed. Temperature-dependent magnetization demonstrates the suppression of ferromagnetism and evident of antiferromagnetic nature with an apparent charge ordering with increasing concentration of Sr 2+ .

36 MATERIALS SCIENCE↗

DOE OSTI2025

SN 2021foa: the bridge between SN IIn and Ibn

ABSTRACT We present the long-term photometric and spectroscopic analysis of a transitioning SN IIn/Ibn from –10.8 d to 150.7 d post V-band maximum. SN 2021foa shows prominent He i lines comparable in strength to the H $\alpha$ line around peak, placing SN 2021foa between the SN IIn and SN Ibn populations. The spectral comparison shows that it resembles the SN IIn population at pre-maximum, becomes intermediate between SNe IIn/Ibn, and at post-maximum matches with SN IIn 1996al. The photometric evolution shows a precursor at –50 d and a light curve shoulder around 17 d. The peak luminosity and colour evolution of SN 2021foa are consistent with most SNe IIn and Ibn in our comparison sample. SN 2021foa shows the unique case of an SN IIn where the narrow P-Cygni in H $\alpha$ becomes prominent at 7.2 d. The H $\alpha$ profile consists of a narrow (500–1200 km s$^{-1}$) component, intermediate width (3000–8000 km s$^{-1}$) and broad component in absorption. Temporal evolution of the H $\alpha$ profile favours a disc-like CSM geometry. Hydrodynamical modelling of the light curve well reproduces a two-component CSM structure with different densities ($\rho \propto$ r$^{-2}$–$\rho \propto$ r$^{-5}$), mass-loss rates (10$^{-3}$–10$^{-1}$ M$_{\odot }$ yr$^{-1}$) assuming a wind velocity of 1000 km s$^{-1}$ and having a CSM mass of 0.18 M$_{\odot }$. The overall evolution indicates that SN 2021foa most likely originated from an LBV star transitioning to a WR star with the mass-loss rate increasing in the period from 5 to 0.5 yr before the explosion or it could be due to a binary interaction.

Gangopadhyay, Anjasha (ORCID:0000000238845637)↗

DOE OSTI2019

The Model of Decomposition of a Fe–Cu Alloy with Concentration-Depending Interatomic Interactions

The thermodynamics and kinetics of decomposition of a Fe–Cu alloy are investigated in the context of a simple ab initio parameterization model taking into account the concentration dependence of the magnetic contribution to the free energy. It is shown that taking into account a difference between the short-range and long-range magnetic orders near the Curie temperature is very important for calculating the solubility of copper in iron. The solubility of copper in bcc iron and the stability limit of a homogeneous state (physical spinodal) are evaluated via the kinetic Monte Carlo method. The impact of structural defects (dislocations and grain boundaries) on these curves, as well as on the kinetic time–temperature—transformation (TTT) diagram, is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Joint Body- and Surface-Wave Tomography of Yucca Flat, Nevada, Using a Novel Seismic Source

In preparation for the next phase of the Source Physics Experiments, we acquired an active–source seismic dataset along two transects totaling more than 30 km in length at Yucca Flat, Nevada, on the Nevada National Security Site. Yucca Flat is a sedimentary basin which has hosted more than 650 underground nuclear tests (UGTs). The survey source was a novel 13,000 kg modified industrial pile driver. This weight drop source proved to be broadband and repeatable, richer in low frequencies (1–3 Hz) than traditional vibrator sources and capable of producing peak particle velocities similar to those produced by a 50 kg explosive charge. In this study, we performed a joint inversion of P–wave refraction travel times and Rayleigh–wave phase–velocity dispersion curves for the P– and S–wave velocity structure of Yucca Flat. Phase–velocity surface–wave dispersion measurements were obtained via the refraction microtremor method on 1 km arrays, with 80% overlap. Our P–wave velocity models verify and expand the current understanding of Yucca Flat’s subsurface geometry and bulk properties such as depth to Paleozoic basement and shallow alluvium velocity. Areas of disagreement between this study and the current geologic model of Yucca Flat (derived from borehole studies) generally correlate with areas of widely spaced borehole control points. This provides an opportunity to update the existing model, which is used for modeling groundwater flow and radionuclide transport. Scattering caused by UGT–related high–contrast velocity anomalies substantially reduced the number and frequency bandwidth of usable dispersion picks. Here, the S–wave velocity models presented in this study agree with existing basin–wide studies of Yucca Flat, but are compromised by diminished surface–wave coherence as a product of this scattering. As nuclear nonproliferation monitoring moves from teleseismic to regional or even local distances, such high–frequency (>5 Hz) scattering could prove challenging when attempting to discriminate events in areas of previous testing.

58 GEOSCIENCES↗

NASA NTRS1984

Atomic hydrogen maser active oscillator cavity and bulb design optimization

The performance characteristics and reliability of the active oscillator atomic hydrogen maser depend upon oscillation parameters which characterize the interaction region of the maser, the resonant cavity and atom storage bulb assembly. With particular attention to use of the cavity frequency switching servo (1) to reduce cavity pulling, it is important to maintain high oscillation level, high atomic beam flux utilization efficiency, small spin exchange parameter and high cavity quality factor. It is also desirable to have a small and rigid cavity and bulb structure and to minimize the cavity temperature sensitivity. Curves for a novel hydrogen maser cavity configuration which is partially loaded with a quartz dielectric cylinder and show the relationships between cavity length, cavity diameter, bulb size, dielectric thickness, cavity quality factor, filling factor and cavity frequency temperature coefficient are presented. The results are discussed in terms of improvement in maser performance resulting from particular design choices.

Peters, H. E.↗

NASA NTRS1984

Heat and mass transfer in combustion - Fundamental concepts and analytical techniques

Fundamental combustion phenomena and the associated flame structures in laminar gaseous flows are discussed on physical bases within the framework of the three nondimensional parameters of interest to heat and mass transfer in chemically-reacting flows, namely the Damkoehler number, the Lewis number, and the Arrhenius number which is the ratio of the reaction activation energy to the characteristic thermal energy. The model problems selected for illustration are droplet combustion, boundary layer combustion, and the propagation, flammability, and stability of premixed flames. Fundamental concepts discussed include the flame structures for large activation energy reactions, S-curve interpretation of the ignition and extinctin states, reaction-induced local-similarity and non-similarity in boundary layer flows, the origin and removal of the cold boundary difficulty in modeling flame propagation, and effects of flame stretch and preferential diffusion on flame extinction and stability. Analytical techniques introduced include the Shvab-Zeldovich formulation, the local Shvab-Zeldovich formulation, flame-sheet approximation and the associated jump formulation, and large activation energy matched asymptotic analysis. Potentially promising research areas are suggested.

Law, C. K.↗

NASA NTRS1986

Thermal-infrared and visual imaging of comet Giacobini-Zinner

Thermal-infrared and visual images obtained simultaneously of comet Giacobini-Zinner on UT 1985 August 4.4 are presented. The 10.8-micron map, which spans several arc minutes with 8-arcsec resolution, is the first ground-based infrared image of a comet. Considerable spatial structure is evident in the map, including a curved dust tail consisting primarily of dust grains larger than 100 microns. The width of this large-grain tail implies that these grains depart the nucleus with velocities less than 3 m/s. The distribution of grain albedo is determined for the central 1 arcmin. It is speculated that an observed increase in the albedo by a factor of 2 with distance from the nucleus and prolonged radius vector results from the confinement to the orbital plane of large fluffy grains previously considered for GZ by others; the lower albedo of this dust could result from multiple internal scattering increasing the probability of absorption of incident light. It is estimated that dust was departing the nucleus at the rate of about 8 x 10 to the 5th g/s, comparable to that derived for many other comets.

Telesco, C. M.↗

NASA NTRS1987

Energetic interplanetary shocks, radio emission, and coronal mass ejections

The interplanetary shocks which generate detectable low-frequency radio emission, represent as a group, the most energetic shocks produced by the sun. For all interplanetary (IP) shocks which generated so-called IP type II events, the associated solar events involved fast coronal mass ejections (CMEs). In comparison with the set of all CMEs detected by the Solwind coronagraph, the CMEs associated with IP type II events are the most massive and energetic. The majority belong to the structural classes described by the Solwind researchers as 'curved front' or 'halo'.

Cane, H. V.↗

NASA NTRS1988

Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 gigapascals

The crystal structure and equation of state of solid hydrogen have been determined directly to 26.5 gigapascals at room temperature by new synchrotron X-ray diffraction techniques. Solid hydrogen remains in the hexagonal close packed structure under these pressure-temperature conditions and exhibits increasing structural anisotropy with pressure. The pressure-volume curve determined from the X-ray data represents the most accurate experimental measurement of the equation of state to date in this pressure range. The results remove the discrepancy between earlier indirect determinations and provide a new experimental constraint on the molecular-to-atomic transition predicted at higher pressures.

Mao, H. K.↗

NASA NTRS1988

Issues and opportunities in space photovoltaics

Space power sources are becoming a central focus for determining man's potential and schedule for exploring and utilizing the benefits of space. The ability to search, probe, survey, and communicate throughout the universe will depend on providing adequate power to the instruments to do these jobs. Power requirements for space platforms are increasing and will continue to increase into the 21st century. Photovoltaics have been a dependable power source for space for the last 30 years and have served as the primary source of power on virtually all DOD and NASA satellites. The performance of silicon (Si) solar cells has increased from 10 percent air mass zero (AM0) solar energy conversion efficiency in the early 60's to almost 15 percent on today's spacecraft. Some technologists even think that the potential for solar photovoltaics has reached a plateau. However, present and near-future Air Force and NASA requirements show needs that, if the problems are looked upon as opportunities, can elevate the photovoltaic power source scientist and array structure engineer into the next technological photovoltaic growth curve.

Francis, Robert W.↗

NASA NTRS1988

Issues and opportunities in space photovoltaics

Francis, Robert W.↗

NASA NTRS1988

On PAHs as interstellar grains - Infrared absorption coefficients

Consideration is given to the proposal that PAHs are the source of IR continuum and emission features and the visible diffuse bands. Absolute IR cross-sections have been obtained for eight PAHs. The results show that a thermal continuum is not consistent with the spectra obtained, and that an array of normal molecules shows a spectrum that is more complex than the observed spectrum. The cross-sections of the UV spectra are 2-3 orders of magnitude larger than those of the IR spectra. It is suggested that, to account for these observations, structure must be produced in the UV extinction curve.

Salisbury, D. W.↗

NASA NTRS1989

Spectral mineralogy of terrestrial planets - Scanning their surfaces remotely

Information on the surface mineralogy, chemical composition, and lithology of terrestrial planets, as well as on their atmospheres, that can be obtained by earth-based from visible and NIR spectra of light reflected from planetary surfaces is discussed. Such reflectance spectra may have absorption bands in the 1- and 2-micron wavelength regions which originate from crystal field transitions within Fe(2+) ions. Since pyroxenes with Fe(2+) in M2 positions usually dominate the spectra, the resulting 1-micron vs 2-micron spectral determinative curves can be used to identify compositions and structural types of pyroxenes on the surface of a planet or an asteroid. Future spececraft missions to solar system objects will concentrate on remote-sensing experiments using visible and NIR reflectance spectra. These include the Galileo mission to Jupiter; the Mars Orbiter mission to Phoebus; the Comet Rendezvous Asteroid Flyby mission; the Cassini mission to Saturn; the Lunar Geoscience Observer; and the Mars Rover/Sample Return mission.

Burns, Roger G.↗

NASA NTRS1991

Stability analysis of bridged cracks in brittle matrix composites

The bridging of matrix cracks by fibers is an important toughening mechanism in fiber reinforced brittle matrix composites. This paper presents the results of a nonlinear finite element analysis of the Mode-I propagation of a bridged matrix crack in a finite size specimen. The composite is modeled as an orthotropic continuum and the bridging due to the fibers is modeled as a distribution of tractions which resist crack opening. A critical stress intensity factor criterion is employed for matrix crack propagation while a critical crack opening condition is used for fiber failure. The structural response of the specimen (load-deflection curves) as well as the stress intensity factor of the propagating crack are calculated for various constituent properties and specimen configurations for both tensile and bending loading. By controlling the length of the bridged crack results are obtained which highlight the transition from stable to unstable behavior of the propagating crack.

Ballarini, Roberto↗

NASA NTRS1995

GridTool: A surface modeling and grid generation tool

GridTool is designed around the concept that the surface grids are generated on a set of bi-linear patches. This type of grid generation is quite easy to implement, and it avoids the problems associated with complex CAD surface representations and associated surface parameterizations. However, the resulting surface grids are close to but not on the original CAD surfaces. This problem can be alleviated by projecting the resulting surface grids onto the original CAD surfaces. GridTool is designed primary for unstructured grid generation systems. Currently, GridTool supports VGRID and FELISA systems, and it can be easily extended to support other unstructured grid generation systems. The data in GridTool is stored parametrically so that once the problem is set up, one can modify the surfaces and the entire set of points, curves and patches will be updated automatically. This is very useful in a multidisciplinary design and optimization process. GridTool is written entirely in ANSI 'C', the interface is based on the FORMS library, and the graphics is based on the GL library. The code has been tested successfully on IRIS workstations running IRIX4.0 and above. The memory is allocated dynamically, therefore, memory size will depend on the complexity of geometry/grid. GridTool data structure is based on a link-list structure which allows the required memory to expand and contract dynamically according to the user's data size and action. Data structure contains several types of objects such as points, curves, patches, sources and surfaces. At any given time, there is always an active object which is drawn in magenta, or in their highlighted colors as defined by the resource file which will be discussed later.

Samareh-Abolhassani, Jamshid↗

NASA NTRS1993

Neutral and ionized polycyclic aromatic hydrocarbons, diffuse interstellar bands and the ultraviolet extinction curve

Neutral naphthalene C10H8, phenanthrene C14H10 and pyrene C16H10 absorb strongly in the ultraviolet region and may contribute to the extinction curve. High abundances are required to produce detectable structures. The cations of these polycyclic aromatic hydrocarbons (PAHs) absorb in the visible C10H8(+) has 13 discrete absorption bands which fall between 6800 and 4500 A. The strongest band at 6741 A falls close to the weak 6742 A diffuse interstellar band (DIB). Five other weaker bands also match DIBs. The possibility that C10H8(+) is responsible for some of the DIBs can be tested by searching for new DIBs at 6520 and 6151 A, other strong naphthalene cation band positions. If C10H8(+) is indeed responsible for the 6742 A feature, it accounts for 0.3% of the cosmic carbon. The spectrum of C16H10(+) is dominated by a strong band at 4435 A in an Ar matrix and 4395 A in Ne, wavelengths which fall very close to the strongest DIB at 4430 A. If C16H10(+) or a closely related pyrene-like ion, is indeed responsible for the 4430 A feature, it accounts for 0.2% of the cosmic carbon. An intense, very broad UV-to-visible continuum is reported which is associated with both ions and could explain how PAHs convert interstellar UV and visible radiation into IR radiation.

Salama, Farid↗