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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Helium-like magnesium embedded in strongly coupled plasma

In recent days, with the advent of the x-ray free electron laser (FEL) with Linac coherent light source (LCLS) and the Orion laser, experimental studies on atomic systems within strongly coupled plasma environment with remarkable improvement in accuracy as compared to earlier experiments have become possible. In these kinds of experiments, hydrogen-like and helium-like spectral lines are used for determination of plasma parameters such as temperature, density. Accurate theoretical calculations are, therefore, necessary for such kind of studies within a dense plasma environment. In this work, ab initio calculations are carried out in the framework of the Rayleigh-Ritz variation principle to estimate the ground state energy of helium-like magnesium within strongly coupled plasma environment. Explicitly correlated wave functions in Hylleraas coordinates have been used to incorporate the effect of electron correlation. The ion-sphere model potential that confines the central positive ion in a finite domain filled with plasma electrons has been adopted to mimic the strongly coupled plasma environment. Thermodynamic pressure ’felt’ by the ion in the ground states due to the confinement inside the ion spheres is also estimated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Visible light absorbance enhanced by nitrogen embedded in the surface layer of Mn-doped sodium niobate crystals, detected by ultra violet - visible spectroscopy, x-ray photoelectron spectroscopy, and electric conductivity tests

Sodium niobate crystals doped with manganese ions, Na(NbMn)O{sub 3}, were annealed in a nitrogen N{sub 2} flow at 600, 670, and 930 K. It was verified that simultaneous doping with Mn ions and annealing in nitrogen enhanced the photocatalytic features of sodium niobate. The transmission in the ultraviolet-visible range was measured at room temperature. The absorbance edge is in the range from 3.4 to 2.3 eV. The optical band gap E{sub gap} = 1.2–1.3 eV was evaluated using the Tauc relation. Crystals annealed at 670 K and 930 K exhibited an additional shift of the absorption edge of ∼20–40 nm toward longer wavelengths. The optical energy gap narrowed as a result of the superimposed effect of Mn and N co-doping. The x-ray photoelectron spectroscopy test showed that N ions incorporated into the surface layer. The valence band consisted of O 2p states hybridized with Nb 4d, Mn 3d, and N 2s states. The disorder detected in the surroundings of Nb and O ions decreased due to annealing. The binding energy of oxygen ions situated within the surface layer was E{sub B} ≈ 531 eV. The other contributions were assigned to molecular contamination. The contribution centered at 535.5 eV vanished after annealing at 600 K and 670 K. The contribution centered at 534 eV vanished after annealing at 930 K. The N{sub 2} annealing partly removed carbonates from the surfaces of the samples. In the 480–950 K range, the electric conductivity activation energy, E{sub a} = 0.7–1.2 eV, was comparable with the optical E{sub gap}. The electric permittivity showed dispersion in the 0.1–800 kHz range that corresponds to the occurrence of defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Heat transfer in porous medium embedded with vertical plate: Non-equilibrium approach - Part B

This work is continuation of the paper Part A. Due to large number of results, the paper is divided into two section with section-A (Part A) discussing the effect of various parameters such as heat transfer coefficient parameter, thermal conductivity ratio etc. on streamlines and isothermal lines. Section-B highlights the heat transfer characteristics in terms of Nusselt number The Darcy model is employed to simulate the flow inside the medium. It is assumed that the heat transfer takes place by convection and radiation. The governing partial differential equations are converted into non-dimensional form and solved numerically using finite element method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

PEDOT:PSS with embedded TiO{sub 2} nanoparticles as light trapping electrode for organic photovoltaics

The performance of organic optoelectronic devices can be improved by employing a suitable optical cavity design beyond the standard plane layer approach, e.g., by the inclusion of periodically or randomly textured structures which increase light incoupling or extraction. One of the simplest approaches is to add an additional layer containing light scattering particles into the device stack. Solution processed poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) thin films are promising for replacing the brittle and expensive indium tin oxide transparent electrode. We use a blend of 100 nm TiO{sub 2} scattering particles in PEDOT:PSS solution to fabricate transparent electrode films which also functions as a scattering layer. When utilized in an organic photovoltaic device, a power conversion efficiency of 7.92% is achieved, which is an 8.6% relative improvement compared to a device with a neat PEDOT:PSS electrode without the nanoparticles. This improvement is caused by an increase in short-circuit current due to an improved photon harvesting in the 320 nm–700 nm spectral wavelength range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Embedded fiber Bragg grating pressure measurement during thermal ignition of a high explosive

A high-speed fiber Bragg grating based pressure-only measurement is reported for the high explosive PBXN-9 under thermal initiation conditions. During exothermic thermal runaway, an explosion rise time of 500 μs reaching a peak pressure of 660 MPa is measured. Lastly, the approach offers a direct measure pressure diagnostic useful for quantifying reaction violence for high explosive chemistry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Micro-architecture embedding ultra-thin interlayer to bond diamond and silicon via direct fusion

The continuous demand on miniaturized electronic circuits bearing high power density illuminates the need to modify the silicon-on-insulator-based chip architecture. This is due to the low thermal conductivity of the few hundred nanometer-thick insulator present between the silicon substrate and active layers. The thick insulator is notorious for releasing the heat generated from the active layers during the operation of devices, leading to degradation in their performance and thus reducing their lifetime. To avoid the heat accumulation, we propose a method to fabricate the silicon-on-diamond (SOD) microstructure featured by an exceptionally thin silicon oxycarbide interlayer (~3 nm). While exploiting the diamond as an insulator, we employ spark plasma sintering to render the silicon directly fused to the diamond. Importantly, this process can manufacture the SOD microarchitecture via a simple/rapid way and incorporates the ultra-thin interlayer for minute thermal resistance. The approach invented herein expects to minimize the thermal interfacial resistance of the devices and is thus deemed as a breakthrough appealing to the current chip industry.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Memory embedded non-intrusive reduced order modeling of non-ergodic flows

Generating a digital twin of any complex system requires modeling and computational approaches that are efficient, accurate, and modular. Traditional reduced order modeling techniques are targeted at only the first two, but the novel nonintrusive approach we present in this study is an attempt at taking all three into account effectively compared to their traditional counterparts. Based on dimensionality reduction using proper orthogonal decomposition (POD), we introduce a long short-term memory neural network architecture together with a principal interval decomposition (PID) framework as an enabler to account for localized modal deformation. As an effective partitioning tool for breaking the Kolmogorov barrier, our PID framework, therefore, can be considered a key element in the accurate reduced order modeling of convective flows. Our applications for convection-dominated systems governed by Burgers, Navier-Stokes, and Boussinesq equations demonstrate that the proposed approach yields significantly more accurate predictions than the POD-Galerkin method and could be a key enabler toward near real-time predictions of unsteady flows.

42 ENGINEERING↗
DOE OSTI2024

Dynamic embedding of effective harmonic normal mode vibrations in all-atomistic energy gap fluctuations: Case study of light harvesting 2 complex

Environmental effects in excitation energy transfer have mostly been modeled by baths of harmonic oscillators, but to what extent such modeling provides a reliable description of actual interactions between molecular systems and environments remains an open issue. Here, we address this issue by investigating fluctuations in the excitation energies of the light harvesting 2 complex using a realistic all-atomistic simulation of the potential energy surface. Our analyses reveal that molecular motions exhibit significant anharmonic features, even for underdamped intramolecular vibrations. In particular, we find that the anharmonicity contributes to the broadening of spectral densities and substantial overlaps between neighboring peaks, which complicates the meaning of mode frequencies constituting a bath model. Thus, we develop a strategy to construct a minimally underdamped harmonic bath that has a clear connection to all-atomistic dynamics by utilizing actual normal modes of molecules but optimizing their frequencies such that the resulting bath model can best reproduce the all-atomistic simulation results. By subtracting the underdamped contribution from the entire fluctuations, we also show that identifying a residual spectral density representing all other contributions with overdamped behavior is possible. We find that this can be fitted well with a well-established analytic form of a spectral density function or, alternatively, modeled as explicit time dependent fluctuations with muti-exponential or power law type correlation functions. We provide an assessment and the implications of these possibilities. The approach presented here can also serve as a general strategy to construct a simplified bath model that can effectively represent the underlying all-atomistic bath dynamics.

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

On embedding a Morse-Smale diffeomorphism on a 3-manifold in a topological flow

In this paper, for the case of 3-dimensional manifolds, we solve the Palis problem on finding necessary and sufficient conditions for a Morse-Smale cascade to embed in a topological flow. The set of such cascades is open in the space of all diffeomorphisms, while the set of arbitrary diffeomorphisms that embed in a smooth flow is nowhere dense. Also, we consider a class of diffeomorphisms that embed in a topological flow and prove that a complete topological invariant for this class is similar to the Andronova-Maier scheme and the Peixoto graph. Bibliography: 26 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

OPTICAL TiO AND VO BAND EMISSION IN TWO EMBEDDED PROTOSTARS: IRAS 04369+2539 AND IRAS 05451+0037

Archival spectra from the Sloan Digital Sky Survey of two optically faint flat-spectrum protostars, IRAS 04369+2539 and IRAS 05451+0037, show strong emission-line features including-notably-clear and broad emission across several molecular bands of TiO and VO. The molecular emission is indicative of dense, warm circumstellar gas and has been seen previously in only one object: the flat-spectrum protostar IRAS 20496+4354 during a strong optical outburst (PTF 10nvg). The presence of broad molecular emission features in two additional objects having similar mid-infrared properties (but not known to be undergoing outbursts) could provide new insight into phases of rapid accretion/outflow at early stages of the protoplanetary disk. At present, the relevant geometry and the formation or heating mechanisms responsible for the observed TiO/VO cooling emission remain unexplained.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

STAR FORMATION NEAR BERKELEY 59: EMBEDDED PROTOSTARS

A group of suspected protostars in a dark cloud northwest of the young (∼2 Myr) cluster Berkeley 59 and two sources in a pillar south of the cluster have been studied in order to determine their evolutionary stages and ascertain whether their formation was triggered by Berkeley 59. Narrowband near-infrared observations from the Observatoire du Mont Mégantic, {sup 12}CO (J = 3-2) and SCUBA-2 (450 and 850 μm) observations from the JCMT, 2MASS, and WISE images, and data extracted from the IPHAS survey catalog were used. Of 12 sources studied, two are Class I objects, while three others are flat/Class II, one of which is a T Tauri candidate. A weak CO outflow and two potential starless cores are present in the cloud, while the pillar possesses substructure at different velocities, with no outflows present. The CO spectra of both regions show peaks in the range v {sub LSR} = –15 to –17 km s{sup –1}, which agrees with the velocity adopted for Berkeley 59 (–15.7 km s{sup –1}), while spectral energy distribution models yield an average interstellar extinction A{sub V} and distance of 15 ± 2 mag and 830 ± 120 pc, respectively, for the cloud, and 6.9 mag and 912 pc for the pillar, indicating that the regions are in the same vicinity as Berkeley 59. The formation of the pillar source appears to have been triggered by Berkeley 59. It is unclear whether Berkeley 59 triggered the association's formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

MIGRATION OF PLANETS EMBEDDED IN A CIRCUMSTELLAR DISK

Planetary migration poses a serious challenge to theories of planet formation. In gaseous and planetesimal disks, migration can remove planets as quickly as they form. To explore migration in a planetesimal disk, we combine analytic and numerical approaches. After deriving general analytic migration rates for isolated planets, we use N-body simulations to confirm these results for fast and slow migration modes. Migration rates scale as m{sup -1} (for massive planets) and (1 + (e{sub H}/3){sup 3}){sup -1}, where m is the mass of a planet and e{sub H} is the eccentricity of the background planetesimals in Hill units. When multiple planets stir the disk, our simulations yield the new result that large-scale migration ceases. Thus, growing planets do not migrate through planetesimal disks. To extend these results to migration in gaseous disks, we compare physical interactions and rates. Although migration through a gaseous disk is an important issue for the formation of gas giants, we conclude that migration has little impact on the formation of terrestrial planets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE SMALL-SCALE PHYSICAL STRUCTURE AND FRAGMENTATION DIFFERENCE OF TWO EMBEDDED INTERMEDIATE-MASS PROTOSTARS IN ORION

Intermediate-mass (IM) protostars, the bridge between the very common solar-like protostars and the more massive, but rarer, O and B stars, can only be studied at high physical spatial resolutions in a handful of clouds. In this paper, we present and analyze the continuum results from an observing campaign at the Submillimeter Array (SMA) targeting two well-studied IM protostars in Orion, NGC 2071 and L1641 S3 MMS 1. The extended SMA (eSMA) probes structure at angular resolutions up to 0.''2, revealing protostellar disks on scales of {approx}200 AU. Continuum flux measurements on these scales indicate that a significant amount of mass, a few tens of M{sub Sun }, is present. Envelope, stellar, and disk masses are derived using compact, extended, and eSMA configurations and compared against spectral energy distribution fitting models. We hypothesize that fragmentation into three components occurred within NGC 2071 at an early time, when the envelopes were less than 10% of their current masses, e.g., <0.5 M{sub Sun }. No fragmentation occurred for L1641 S3 MMS 1. For NGC 2071, evidence is given that the bulk of the envelope material currently around each source was accreted after the initial fragmentation. In addition, about 30% of the total core mass is not yet associated to one of the three sources. A global accretion model is favored and a potential accretion history of NGC 2071 is presented. It is shown that the relatively low level of fragmentation in NGC 2071 was stifled compared to the expected fragmentation from a Jeans argument. Similarly, the lack of fragmentation in L1641 S3 MMS 1 is likely due to similar arguments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

H II REGIONS, EMBEDDED PROTOSTARS, AND STARLESS CORES IN SHARPLESS 2-157

We present arcsecond resolution 1.4 mm observations of the high-mass star-forming region, Sharpless 2-157, that reveal the cool dust associated with the first stages of star formation. These data are compared with archival images at optical, infrared, and radio wavelengths, and complemented with new arcsecond resolution mid-infrared data. We identify a dusty young H II region, numerous infrared sources within the cluster envelope, and four starless condensations. Three of the cores lie in a line to the south of the cluster peak, but the most massive one is right at the center and associated with a jumble of bright radio and infrared sources. This presents an interesting juxtaposition of high- and low-mass star formation within the same cluster which we compare with similar observations of other high-mass star-forming regions and discuss in the context of cluster formation theory.

79 ASTRONOMY AND ASTROPHYSICS↗