Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “MASS SPECTRA”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Development of arsenic doped Cd(Se,Te) absorbers by MOCVD for thin film solar cells

Recent developments in CdTe solar cell technology have included the incorporation of ternary alloy Cd(Se,Te) in the devices. CdTe absorber band gap grading due to Se alloying contributes to current density enhancement and can result in device performance improvement. Here we report Cd(Se,Te) polycrystalline thin films grown by a chamberless inline atmospheric pressure metal organic chemical vapour deposition technique, with subsequent incorporation in CdTe solar cells. The compositional dependence of the crystal structure and optical properties of Cd(Se,Te) are examined. Selenium graded Cd(Se,Te)/CdTe absorber structure in devices are demonstrated using either a single CdSe layer or CdSe/Cd(Se,Te) bilayer (with or without As doping in the Cd(Se,Te) layer). Cross-sectional TEM/EDS, photoluminescence spectra and secondary ion mass spectroscopy analysis confirmed the formation of a graded Se profile toward the back contact with a diffusion length of ~1.5 um and revealed back-diffusion of Group V (As) dopants from the CdTe layer into Cd(Se,Te) grains. Due to the strong Se/Te interdiffusion, CdSe in the Se bilayer configuration was unable to form an n-type emitter layer in processed devices. In situ As doping of the Cd(Se,Te) layer benefited the device junction quality with current density reaching 28.3 mA/cm 2 . The results provide useful insights for the optimisation of Cd(Se,Te)/CdTe solar cells.

14 SOLAR ENERGY↗
DOE OSTI2022

Selective thermal neutron transmutation doping with Gd masks in GaN semiconductors

For the first time, selective neutron transmutation doping was successfully performed on GaN through Gd masks, showing the feasibility of patternable doping through neutron irradiations. In collaborating with Oak Ridge National Laboratory, GaN with Gd masks was irradiated by directional neutrons. By using the Gd properties with high neutron absorption cross-sections, it was confirmed that the area covered by Gd masks on GaN was completely shielded from neutrons, and the uncovered area was doped with the generated Ge and 14 C. Property differences were clearly identified in various ways when comparing the area exposed by neutrons and the area unexposed by neutrons. The discoloration by the ejected protons and elastic scattering of neutrons appeared only in the exposed area while the unexposed area remained the same as before irradiation. The aspect ratio of the patterned profile of GaN was estimated by comparing patterns on the front and backside. From energy dispersive X-ray spectroscopy spectra and secondary ion mass spectrometry measurement, the concentration difference between Ge and 14 C as well as the exact concentration of produced 14 C was also checked. Further, Schottky barrier diodes on the selectively doped GaN were fabricated and investigated to study the electrical properties.

42 ENGINEERING↗
DOE OSTI2018

Deviation from the trans -Effect in Ligand-Exchange Reactions of Zeise’s Ions PtCl 3 (C 2 H 4 ) - with Heavier Halides (Br – , I - )

Four new Zeise’s family ions with mixed-halide ligands, i.e., PtCl n X 3-n (C 2 H 4 ) - (X = Br, I; n = 1, 2), were synthesized via ligand-exchange reactions of KX salts with KPtCl 3 (C 2 H 4 ) in aqueous solutions, and were detected in vacuum via electrospray ionization mass spectrometry. Their photoelectron spectra reveal a series of well-resolved spectral peaks with their electron binding energies (EBEs) decreasing with increasing halide size, with I having a much stronger effect than Br, i.e., 4.57 (–Cl 3 ) > 4.56 (–Cl 2 Br) > 4.53 (–ClBr 2 ) > 4.34 (–Cl 2 I) > 4.30 eV (–ClI 2 ). Ab initio electronic structure calculations including spin-orbit coupling (SOC) predict that the cis- and trans-isomers are nearly isoenergetic with the cis-isomer for –Cl 2 X, and the trans-isomer for –ClX 2 slightly favored, respectively. Excited-state spectra calculated with time-dependent density functional theory (TDDFT), and their comparison with the observed ones, suggest that for each species, both the cis- and trans-configurations coexist in the experiments and contribute to the observed spectra, a fact that clearly violates the prediction of the widely accepted trans-effect, which suggests that only one isomer would have formed.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2023

Gas phase synthesis of the C40 nano bowl C 40 H 10

Nanobowls represent vital molecular building blocks of end-capped nanotubes and fullerenes detected in combustion systems and in deep space such as toward the planetary nebula TC-1, but their fundamental formation mechanisms have remained elusive. By merging molecular beam experiments with electronic structure calculations, we reveal a complex chain of reactions initiated through the gas-phase preparation of benzocorannulene (C 24 H 12 ) via ring annulation of the corannulenyl radical (C 20 H 9 • ) by vinylacetylene (C 4 H 4 ) as identified isomer-selectively in situ via photoionization efficiency curves and photoion mass-selected threshold photoelectron spectra. In silico studies provided compelling evidence that the benzannulation mechanism can be expanded to pentabenzocorannulene (C 40 H 20 ) followed by successive cyclodehydrogenation to the C40 nanobowl (C 40 H 10 ) – a fundamental building block of buckminsterfullerene (C 60 ). This high-temperature pathway opens up isomer-selective routes to nanobowls via resonantly stabilized free-radical intermediates and ring annulation in circumstellar envelopes of carbon stars and planetary nebulae as their descendants eventually altering our insights of the complex chemistry of carbon in our Galaxy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Understanding the structure and composition of recalcitrant oligosaccharides in hydrolysate using high-throughput biotin-based glycome profiling and mass spectrometry

Novel Immunological and Mass Spectrometry Methods for Comprehensive Analysis of Recalcitrant Oligosaccharides in AFEX Pretreated Corn Stover. Lignocellulosic biomass is a sustainable alternative to fossil fuel and is extensively used for developing bio-based technologies to produce products such as food, feed, fuel, and chemicals. The key to these technologies is to develop cost competitive processes to convert complex carbohydrates present in plant cell wall to simple sugars such as glucose, xylose, and arabinose. Since lignocellulosic biomass is highly recalcitrant, it must undergo a combination of thermochemical treatment such as Ammonia Fiber Expansion (AFEX), dilute acid (DA), Ionic Liquid (IL) and biological treatment such as enzyme hydrolysis and microbial fermentation to produce desired products. However, when using commercial fungal enzymes during hydrolysis, only 75–85% of the soluble sugars generated are monomeric sugars, while the remaining 15–25% are soluble recalcitrant oligosaccharides that cannot be easily utilized by microorganisms. Previously, we successfully separated and purified the soluble recalcitrant oligosaccharides using a combination of charcoal and celite-based separation followed by size exclusion chromatography and studies their inhibitory properties on enzymes. We discovered that the oligosaccharides with higher degree of polymerization (DP) containing methylated uronic acid substitutions were more recalcitrant towards commercial enzyme mixtures than lower DP and neutral oligosaccharides. Here, we report the use of several complementary techniques that include glycome profiling using plant biomass glycan specific monoclonal antibodies (mAbs) to characterize sugar linkages in plant cell walls and enzymatic hydrolysate, matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) using structurally-informative diagnostic peaks offered by negative ion post-secondary decay spectra, gas chromatography followed by mass spectrometry (GC–MS) to characterize oligosaccharide sugar linkages with and without derivatization. Since oligosaccharides (DP 4–20) are small, it is challenging to mobilize these molecules for mAbs binding and characterization. To overcome this problem, we have applied a new biotin-coupling based oligosaccharide immobilization method that successfully tagged most of the low DP soluble oligosaccharides on to a micro-plate surface followed by specific linkage analysis using mAbs in a high-throughput system. This new approach will help develop more advanced versions of future high throughput glycome profiling methods that can be used to separate and characterize oligosaccharides present in biomarkers for diagnostic applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Synthesis of biomass-derived feedstocks for the polymers and fuels industries from 5-(hydroxymethyl)furfural (HMF) and acetone

We show that 5-(hydroxymethyl) furfural (HMF) and acetone can be selectively converted into a range of biomass-derived high molecular weight chemicals in high yield (>90%). HMF was condensed with acetone and purified to produce HMF-Acetone-HMF dimer (HAH). We then selectively synthesized various compounds from HAH by the sequential catalytic reaction pathway of hydrogenation, ring-opening, and hydrodeoxygenation. These synthesized HMF-derived chemicals were characterized by 1D and 2D NMR spectra and high resolution mass spectrometry (HRMS). The HMF-derived molecules described in this paper can be feedstocks for the polymer, pigment, and petroleum industries.

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

Synthesis of indium sulphide quantum dots in perfluoronated ionomer membrane

In this paper, we demonstrate a simple and efficient method for synthesis of β-indium sulphide (In{sub 2}S{sub 3}) nanoparticles embedded in an ionomer matrix (nafion membrane). The influence of reaction temperature on structural, compositional and optical properties of these films were analysed using X-Ray Diffraction, EDAX, UV-Vis absorption spectroscopy and photoluminescence studies. Average particle diameter was estimated using modified effective mass approximation method. Absorption spectra of In{sub 2}S{sub 3} nanoparticles show blue shift compared to bulk In{sub 2}S{sub 3}, indicating strong quantum size confinement effects. PL emission in the wavelength range 530–600 nm was recorded using a 488 nm line from an Ar{sup +} laser as the excitation source.

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

Aluminum Zintl anion moieties within sodium aluminum clusters

Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium–aluminum cluster anions, Na{sub m}Al{sub n}{sup −}, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams.

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

Single-step in-situ synthesis and optical properties of ZnSe nanostructured dielectric nanocomposites

This work provides the evidence of visible red photoluminescent light emission from ZnSe nanocrystals (NCs) grown within a dielectric (borosilicate glass) matrix synthesized by a single step in-situ technique for the first time and the NC sizes were controlled by varying only the concentration of ZnSe in glass matrix. The ZnSe NCs were investigated by UV-Vis optical absorption spectroscopy, Raman spectroscopy, and transmission electron microscopy (TEM). The sizes of the ZnSe NCs estimated from the TEM images are found to alter in the range of 2–53 nm. Their smaller sizes of the NCs were also calculated by using the optical absorption spectra and the effective mass approximation model. The band gap enlargements both for carrier and exciton confinements were evaluated and found to be changed in the range of 0–1.0 eV. The Raman spectroscopic studies showed blue shifted Raman peaks of ZnSe at 295 and 315 cm{sup −1} indicating phonon confinement effect as well as compressive stress effect on the surface atoms of the NCs. Red photoluminescence in ZnSe-glass nanocomposite reveals a broad multiple-peak structure due to overlapping of emission from NC size related electron-hole recombination (∼707 nm) and emissions from defects to traps, which were formed due to Se and Zn vacancies signifying potential application in photonics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spectroscopic investigation of the constituent components effect on the biodegradable package characteristics

The effect of the nature and the content of the plasticizers (water, glycerol) on the corn starch based biodegradable packages properties (crystalline-amorphous) and also on their degradation process after absorption of distilled water were investigated by {sup 1}H NMR relaxation and {sup 13}C CP/MAS NMR spectroscopies. For this goal, a set of 14 samples with various starch/glycerol/water (mass %) ratios were prepared and investigated after extrusion process in order to establish their crystalline or amorphous character. The composition having starch/glycerol/water 68/17/15 mass % ratio was found to have a dominant amorphous character and very similar features with a commercial specimen (USA) used for the package. It was also found that this best package is extremely degraded after just one day under water absorption. The most resistant package was that with a large content of starch (78/19.5/2.5)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Bio-oil production from biomass via supercritical fluid extraction

Supercritical fluid extraction is used for producing bio-fuel from biomass. Supercritical fluid extraction process under supercritical conditions is the thermally disruption process of the lignocellulose or other organic materials at 250-400 °C temperature range under high pressure (4-5 MPa). Supercritical fluid extraction trials were performed in a cylindrical reactor (75 mL) in organic solvents (acetone, ethanol) under supercritical conditions with (calcium hydroxide, sodium carbonate) and without catalyst at the temperatures of 250, 275 and 300 °C. The produced liquids at 300 °C in supercritical liquefaction were analyzed and characterized by elemental, GC-MS and FT-IR. 36 and 37 different types of compounds were identified by GC-MS obtained in acetone and ethanol respectively.

09 BIOMASS FUELS↗
DOE OSTI2017

Chemical sputtering of boronized and oxidized carbon surfaces irradiated by low-energy deuterium atoms

We use molecular dynamics to study the chemical sputtering of boronized and oxidized amorphous carbon surfaces by deuterium irradiation in the range of impact energies of 5–30 eV. We report the sputtering yield as well as mass, energy, and angular spectra of ejected atoms and molecules of both virgin and deuterium saturated BCO surfaces and compare them with our data for a deuterated BC surface and existing theoretical and experimental results for amorphous C:D surfaces. Boron significantly suppresses the erosion of carbon, while the presence of oxygen results in further suppression.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

INTEGRAL FIELD SPECTROSCOPY OF SUPERNOVA EXPLOSION SITES: CONSTRAINING THE MASS AND METALLICITY OF THE PROGENITORS. I. TYPE Ib AND Ic SUPERNOVAE

Integral field spectroscopy of 11 Type Ib/Ic supernova (SN Ib/Ic) explosion sites in nearby galaxies has been obtained using UH88/SNIFS and Gemini-N/GMOS. The use of integral field spectroscopy enables us to obtain both spatial and spectral information about the explosion site, enabling the identification of the parent stellar population of the SN progenitor star. The spectrum of the parent population provides metallicity determination via strong-line method and age estimation obtained via comparison with simple stellar population models. We adopt this information as the metallicity and age of the SN progenitor, under the assumption that it was coeval with the parent stellar population. The age of the star corresponds to its lifetime, which in turn gives the estimate of its initial mass. With this method we were able to determine both the metallicity and initial (zero-age main sequence) mass of the progenitor stars of SNe Ib and Ic. We found that on average SN Ic explosion sites are more metal-rich and younger than SN Ib sites. The initial mass of the progenitors derived from parent stellar population age suggests that SN Ic has more massive progenitors than SN Ib. In addition, we also found indication that some of our SN progenitors are less massive than {approx}25 M{sub Sun }, indicating that they may have been stars in a close binary system that have lost their outer envelope via binary interactions to produce SNe Ib/Ic, instead of single Wolf-Rayet stars. These findings support the current suggestions that both binary and single progenitor channels are in effect in producing SNe Ib/Ic. This work also demonstrates the power of integral field spectroscopy in investigating SN environments and active star-forming regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Search for bright nearby M dwarfs with virtual observatory tools

Using Virtual Observatory tools, we cross-matched the Carlsberg Meridian 14 and the 2MASS Point Source catalogs to select candidate nearby bright M dwarfs distributed over ∼25,000 deg{sup 2}. Here, we present reconnaissance low-resolution optical spectra for 27 candidates that were observed with the Intermediate Dispersion Spectrograph at the 2.5 m Isaac Newton Telescope (R≈ 1600). We derived spectral types from a new spectral index, R, which measures the ratio of fluxes at 7485-7015 Å and 7120-7150 Å. We also used VOSA, a Virtual Observatory tool for spectral energy distribution fitting, to derive effective temperatures and surface gravities for each candidate. The resulting 27 targets were M dwarfs brighter than J = 10.5 mag, 16 of which were completely new in the Northern hemisphere and 7 of which were located at less than 15 pc. For all of them, we also measured Hα and Na I pseudo-equivalent widths, determined photometric distances, and identified the most active stars. The targets with the weakest sodium absorption, namely, J0422+2439 (with X-ray and strong Hα emissions), J0435+2523, and J0439+2333, are new members in the young Taurus-Auriga star-forming region based on proper motion, spatial distribution, and location in the color-magnitude diagram, which reopens the discussion on the deficit of M2-4 Taurus stars. Finally, based on proper motion diagrams, we report on a new wide M dwarf binary system in the field, LSPM J0326+3929EW.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

ON RELATIVISTIC DISK SPECTROSCOPY IN COMPACT OBJECTS WITH X-RAY CCD CAMERAS

X-ray charge-coupled devices (CCDs) are the workhorse detectors of modern X-ray astronomy. Typically covering the 0.3-10.0 keV energy range, CCDs are able to detect photoelectric absorption edges and K shell lines from most abundant metals. New CCDs also offer resolutions of 30-50 (E/{Delta}E), which is sufficient to detect lines in hot plasmas and to resolve many lines shaped by dynamical processes in accretion flows. The spectral capabilities of X-ray CCDs have been particularly important in detecting relativistic emission lines from the inner disks around accreting neutron stars and black holes. One drawback of X-ray CCDs is that spectra can be distorted by photon 'pile-up', wherein two or more photons may be registered as a single event during one frame time. We have conducted a large number of simulations using a statistical model of photon pile-up to assess its impacts on relativistic disk line and continuum spectra from stellar-mass black holes and neutron stars. The simulations cover the range of current X-ray CCD spectrometers and operational modes typically used to observe neutron stars and black holes in X-ray binaries. Our results suggest that severe photon pile-up acts to falsely narrow emission lines, leading to falsely large disk radii and falsely low spin values. In contrast, our simulations suggest that disk continua affected by severe pile-up are measured to have falsely low flux values, leading to falsely small radii and falsely high spin values. The results of these simulations and existing data appear to suggest that relativistic disk spectroscopy is generally robust against pile-up when this effect is modest.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

OBSERVATIONS OF THE 2006 DECEMBER 13 AND 14 SOLAR PARTICLE EVENTS IN THE 80 MeV n{sup -1}-3 GeV n{sup -1} RANGE FROM SPACE WITH THE PAMELA DETECTOR

We present the space spectrometer PAMELA observations of proton and helium fluxes during the 2006 December 13 and 14 solar particle events. This is the first direct measurement of the solar energetic particles in space with a single instrument in the energy range from {approx}80 MeV n{sup -1} up to {approx}3 GeV n{sup -1}. For the December 13 event, measured energy spectra of solar protons and helium are compared with results obtained by neutron monitors and other detectors. Our measurements show a spectral behavior different from those derived from the neutron monitor network. No satisfactory analytical fitting was found for the energy spectra. During the first hours of the December 13 event, solar energetic particles spectra were close to the exponential form, demonstrating rather significant temporal evolution. Solar He with energy up to 1 GeV n{sup -1} was recorded on December 13. For the December 14 event, energy of solar protons reached 600 MeV, whereas the maximum energy of He was below 100 MeV n{sup -1}. The spectra were slightly bent in the lower energy range and preserved their form during the second event. Differences in the particle flux appearance and temporal evolution of these two events may argue for special conditions leading to the acceleration of solar particles up to relativistic energies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE EXEMPLAR T8 SUBDWARF COMPANION OF WOLF 1130

We have discovered a wide separation (188.''5) T8 subdwarf companion to the sdM1.5+WD binary Wolf 1130. Companionship of WISE J200520.38+542433.9 is verified through common proper motion over a ∼3 yr baseline. Wolf 1130 is located 15.83 ± 0.96 pc from the Sun, placing the brown dwarf at a projected separation of ∼3000 AU. Near-infrared colors and medium resolution (R ≈ 2000-4000) spectroscopy establish the uniqueness of this system as a high-gravity, low-metallicity benchmark. Although there are a number of low-metallicity T dwarfs in the literature, WISE J200520.38+542433.9 has the most extreme inferred metallicity to date with [Fe/H] = –0.64 ± 0.17 based on Wolf 1130. Model comparisons to this exemplar late-type subdwarf support it having an old age, a low metallicity, and a small radius. However, the spectroscopic peculiarities of WISE J200520.38+542433.9 underscore the importance of developing the low-metallicity parameter space of the most current atmospheric models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

The size of the narrow-line-emitting region in the Seyfert 1 galaxy NGC 5548 from emission-line variability

The narrow [O III] λλ4959, 5007 emission-line fluxes in the spectrum of the well-studied Seyfert 1 galaxy NGC 5548 are shown to vary with time. From this we show that the narrow-line-emitting region has a radius of only 1-3 pc and is denser (n {sub e} ∼ 10{sup 5} cm{sup –3}) than previously supposed. The [O III] line width is consistent with virial motions at this radius given previous determinations of the black hole mass. Since the [O III] emission-line flux is usually assumed to be constant and is therefore used to calibrate spectroscopic monitoring data, the variability has ramifications for the long-term secular variations of continuum and emission-line fluxes, though it has no effect on shorter-term reverberation studies. We present corrected optical continuum and broad Hβ emission-line light curves for the period 1988-2008.

79 ASTRONOMY AND ASTROPHYSICS↗