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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

PHOTON-INDUCED FORMATION OF MOLECULAR HYDROGEN FROM A NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON: 9,10-DIHYDROANTHRACENE

Experimental results from infrared spectroscopy and mass spectrometry provide compelling evidence that UV irradiation of the neutral polycyclic aromatic hydrocarbon (PAH) 9,10-dihydroanthracene (DHA), trapped in solid argon (12 K), results in efficient (i.e., 90% yield) conversion to anthracene and molecular hydrogen. A number of dissociation pathways involving single or double hydrogen loss are investigated computationally. Among these, two mechanisms are most credible for a one-photon dissociation process involving UV photons <5.5 eV. For the lowest-energy pathway (2.3 eV), a simultaneous lengthening of the C-H bonds of H9 and H10 gives rise to an anthracene-H{sub 2} complex. A higher-energy mechanism (3.4 eV) involves an initial lengthening of the H9 C-H bond, followed by this hydrogen 'grabbing' H10, and forming H{sub 2}. The high yield of this photolysis reaction suggests that similar reactions may take place for other neutral PAHs, with implications for the formation of molecular hydrogen in regions of low UV exposure, such as in dark clouds.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

DISTRIBUTION OF HIGH-MASS X-RAY BINARIES IN THE MILKY WAY

Observations of the high-energy sky, particularly with the INTEGRAL satellite, have quadrupled the number of supergiant X-ray binaries observed in the Galaxy and revealed new populations of previously hidden high-mass X-ray binaries (HMXBs), raising new questions about their formation and evolution. The number of detected HMXBs of different types is now high enough to allow us to carry out a statistical analysis of their distribution in the Milky Way. For the first time, we derive the distance and absorption of a sample of HMXBs using a spectral energy distribution fitting procedure, and we examine the correlation with the distribution of star-forming complexes (SFCs) in the Galaxy. We show that HMXBs are clustered with SFCs with a typical cluster size of 0.3 {+-} 0.05 kpc and a characteristic distance between clusters of 1.7 {+-} 0.3 kpc. Furthermore, we present an investigation of the expected offset between the position of spiral arms and HMXBs, allowing us to constrain age and migration distance due to supernova kick for 13 sources. These new methods will allow us to assess the influence of the environment on these high-energy objects with unprecedented reliability.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Preparation of amine-impregnated silica foams using agar as the gelling agent

In this work we successfully prepared amine-impregnated gel-cast silica foams using agar and atmospheric air as the gelling agent and heat treatment atmosphere, respectively. The concentration of 3,6-anhydrogalactose in agar was evaluated by ultraviolet–visible spectroscopy (UV–Vis). The obtained foams were examined by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TG) coupled to mass spectrometry (TG-MS), scanning electron microscopy (SEM), X-ray microtomography (micro-CT), and Archimedes method. The cold crushing strength of the materials prepared in this work was assessed using a mechanical testing stage available in the micro-CT system. The obtained foams exhibited a highly interconnected pore network, with an expressive presence of open pores. Samples heat-treated at 1300 °C for 2 h showed both an expressive porosity (≈ 77%) and a significant cold crushing strength (≈ 1.4 MPa). It was observed that the calcination of the prepared materials at 1200 °C for times as long as 16 h may lead to the rupture of pore walls. FTIR and TG-MS revealed that amine groups were properly incorporated into the foams structure. - Highlights: •Successful preparation of amine-impregnated gel-cast silica foams •Agar used as the gelling agent •Samples with expressive porosity and cold crushing strength •Sintering times as long as 16 h led to the rupture of the pore network.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis, characterization and catalytic activity of indium substituted nanocrystalline Mobil Five (MFI) zeolite

Highlights: • In situ modification of the MFI zeolite by incorporation of indium. • The samples were characterized by XRD, FTIR, TGA, UV–vis (DRS), SAA, EDX and SEM. • The incorporation of indium was confirmed by XRD, FT-IR, UV–vis (DRS), EDX and TGA. • Hydroxylation of phenol reaction was studied on the synthesized catalysts. - Abstract: A series of indium doped Mobil Five (MFI) zeolite were synthesized hydrothermally with silicon to aluminium and indium molar ratio of 100 and with aluminium to indium molar ratios of 1:1, 2:1 and 3:1. The MFI zeolite phase was identified by XRD and FT-IR analysis. In XRD analysis the prominent peaks were observed at 2θ values of around 6.5° and 23° with a few additional shoulder peaks in case of all the indium incorporated samples suggesting formation of pure phase of the MFI zeolite. All the samples under the present investigation were found to exhibit high crystallinity (∼92%). The crystallite sizes of the samples were found to vary from about 49 to 55 nm. IR results confirmed the formation of MFI zeolite in all cases showing distinct absorbance bands near 1080, 790, 540, 450 and 990 cm{sup −1}. TG analysis of In-MFI zeolites showed mass losses in three different steps which are attributed to the loss due to adsorbed water molecules and the two types TPA{sup +} cations. Further, the UV–vis (DRS) studies reflected the position of the indium metal in the zeolite framework. Surface area analysis of the synthesized samples was carried out to characterize the synthesized samples The analysis showed that the specific surface area ranged from ∼357 to ∼361 m{sup 2} g{sup −1} and the pore volume of the synthesized samples ranged from 0.177 to 0.182 cm{sup 3} g{sup −1}. The scanning electron microscopy studies showed the structure of the samples to be rectangular and twinned rectangular shaped. The EDX analysis was carried out for confirmation of Si, Al and In in zeolite frame work. The catalytic activities of the synthesized samples were investigated with respect to hydroxylation of phenol, in which catechol and hydroquinone were found to be the major products. It is observed that under all reaction conditions catechol selectivity was higher than the hydroquinone selectivity. In-MFI zeolites were successfully synthesized and were used as an effective catalyst for the hydroxylation of phenol to synthesize catechol and hydroquinone as the major product.

36 MATERIALS SCIENCE↗
DOE OSTI2012

CONSTRAINING MASS RATIO AND EXTINCTION IN THE FU ORIONIS BINARY SYSTEM WITH INFRARED INTEGRAL FIELD SPECTROSCOPY

We report low-resolution near-infrared spectroscopic observations of the eruptive star FU Orionis using the Integral Field Spectrograph (IFS) Project 1640 installed at the Palomar Hale telescope. This work focuses on elucidating the nature of the faint source, located 0.''5 south of FU Ori, and identified in 2003 as FU Ori S. We first use our observations in conjunction with published data to demonstrate that the two stars are indeed physically associated and form a true binary pair. We then proceed to extract J- and H-band spectro-photometry using the damped LOCI algorithm, a reduction method tailored for high contrast science with IFS. This is the first communication reporting the high accuracy of this technique, pioneered by the Project 1640 team, on a faint astronomical source. We use our low-resolution near-infrared spectrum in conjunction with 10.2 {mu}m interferometric data to constrain the infrared excess of FU Ori S. We then focus on estimating the bulk physical properties of FU Ori S. Our models lead to estimates of an object heavily reddened, A{sub V} = 8-12, with an effective temperature of {approx}4000-6500 K. Finally, we put these results in the context of the FU Ori N-S system and argue that our analysis provides evidence that FU Ori S might be the more massive component of this binary system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Sequence Ion Structures and Dissociation Chemistry of Deprotonated Sucrose Anions

We investigate the tandem mass spectrometry of regiospecifically labeled, deprotonated sucrose analytes. We utilize density functional theory calculations to model the pertinent gas-phase fragmentation chemistry of the prevalent glycosidic bond cleavages (B{sub 1}-Y{sub 1} and C{sub 1}-Z{sub 1} reactions) and compare these predictions to infrared spectroscopy experiments on the resulting B{sub 1} and C{sub 1} product anions. For the C{sub 1} anions, barriers to interconversion of the pyranose [α-glucose-H]{sup −}, C{sub 1} anions to entropically favorable ring-open aldehyde-terminated forms were modest (41 kJ mol{sup −1}) consistent with the observation of a band assigned to a carbonyl stretch at ~ 1680–1720 cm{sup −1}. For the B{sub 1} anions, our transition structure calculations predict the presence of both deprotonated 1,6-anhydroglucose and carbon 2-ketone ((4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)dihydro-2H-pyran-3(4H)-one) anion structures, with the latter predominating. This hypothesis is supported by our spectroscopic data which show diagnostic bands at 1600, 1674, and 1699 cm{sup −1} (deprotonated carbon 2-ketone structures), and at ~ 1541 cm{sup −1} (both types of structure) and RRKM rate calculations. The deprotonated carbon 2-ketone structures are also the lowest energy product B{sub 1} anions. .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Herschel OBSERVATIONS OF DUST AROUND THE HIGH-MASS X-RAY BINARY GX 301-2

We aim at characterizing the structure of the gas and dust around the high-mass X-ray binary GX 301-2, a highly obscured X-ray binary hosting a hypergiant (HG) star and a neutron star, in order to better constrain its evolution. We used Herschel PACS to observe GX 301-2 in the far infrared and completed the spectral energy distribution of the source using published data or catalogs from the optical to the radio range (0.4 to 4 × 10{sup 4} μm). GX 301-2 is detected for the first time at 70 and 100 μm. We fitted different models of circumstellar (CS) environments to the data. All tested models are statistically acceptable, and consistent with an HG star at ∼3 kpc. We found that the addition of a free-free emission component from the strong stellar wind is required and could dominate the far-infrared flux. Through comparisons with similar systems and discussion on the estimated model parameters, we favor a disk-like CS environment of ∼8 AU that would enshroud the binary system. The temperature goes down to ∼200 K at the edge of the disk, allowing for dust formation. This disk is probably a rimmed viscous disk with an inner rim at the temperature of the dust sublimation temperature (∼1500 K). The similarities between the HG GX 301-2, B[e] supergiants, and the highly obscured X-ray binaries (particularly IGR J16318-4848) are strengthened. GX 301-2 might represent a transition stage in the evolution of massive stars in binary systems, connecting supergiant B[e] systems to luminous blue variables.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Ethylene (C{sub 2}H{sub 4}) and D4-Ethylene (C{sub 2}D{sub 4}) Ices Exposed to Ionizing Radiation via Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry

The processing of the hydrocarbon ice, ethylene (C{sub 2}H{sub 4}/C{sub 2}D{sub 4}), via energetic electrons, thus simulating the processes in the track of galactic cosmic-ray particles, was carried out in an ultrahigh vacuum apparatus. The chemical evolution of the ices was monitored online and in situ utilizing Fourier transform infrared spectroscopy (FTIR) and during temperature programmed desorption, via a quadrupole mass spectrometer utilizing electron impact ionization (EI-QMS) and a reflectron time-of-flight mass spectrometer utilizing a photoionization source (PI-ReTOF-MS). Several previous in situ studies of ethylene ice irradiation using FTIR were substantiated with the detection of six products: [CH{sub 4} (CD{sub 4})], acetylene [C{sub 2}H{sub 2} (C{sub 2}D{sub 2})], the ethyl radical [C{sub 2}H{sub 5} (C{sub 2}D{sub 5})], ethane [C{sub 2}H{sub 6} (C{sub 2}D{sub 6})], 1-butene [C{sub 4}H{sub 8} (C{sub 4}D{sub 8})], and n -butane [C{sub 4}H{sub 10} (C{sub 4}D{sub 10})]. Contrary to previous gas phase studies, the PI-ReTOF-MS detected several groups of hydrocarbon with varying degrees of saturation: C{sub n}H{sub 2n+2} (n = 4–10), C{sub n}H{sub 2n} ( n = 2–12, 14, 16), C{sub n}H{sub 2n−2} ( n = 3–12, 14, 16), C{sub n}H{sub 2n−4} (n = 4–12, 14, 16), C{sub n}H{sub 2n−6} (n = 4–10, 12), C{sub n}H{sub 2n−8} ( n = 6–10), and C{sub n}H{sub 2n−10} ( n = 6–10). Multiple laboratory studies have shown the facile production of ethylene from methane, which is a known ice constituent in the interstellar medium. Various astrophysically interesting molecules can be associated with the groups detected here, such as allene/methylacetylene (C{sub 3}H{sub 4}) or 1, 3-butadiene (C{sub 4}H{sub 6}) and its isomers, which have been shown to lead to polycyclic aromatic hydrocarbons. Finally, several hydrocarbon groups detected here are unique to ethylene ice versus ethane ice and may provide understanding of how complex hydrocarbons form in astrophysical environments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

FAR-INFRARED DUST TEMPERATURES AND COLUMN DENSITIES OF THE MALT90 MOLECULAR CLUMP SAMPLE

We present dust column densities and dust temperatures for ∼3000 young, high-mass molecular clumps from the Millimeter Astronomy Legacy Team 90 GHz survey, derived from adjusting single-temperature dust emission models to the far-infrared intensity maps measured between 160 and 870 μm from the Herschel/Herschel Infrared Galactic Plane Survey (Hi-Gal) and APEX/APEX Telescope Large Area Survey of the Galaxy (ATLASGAL) surveys. We discuss the methodology employed in analyzing the data, calculating physical parameters, and estimating their uncertainties. The population average dust temperature of the clumps are 16.8 ± 0.2 K for the clumps that do not exhibit mid-infrared signatures of star formation (quiescent clumps), 18.6 ± 0.2 K for the clumps that display mid-infrared signatures of ongoing star formation but have not yet developed an H ii region (protostellar clumps), and 23.7 ± 0.2 and 28.1 ± 0.3 K for clumps associated with H ii and photo-dissociation regions, respectively. These four groups exhibit large overlaps in their temperature distributions, with dispersions ranging between 4 and 6 K. The median of the peak column densities of the protostellar clump population is 0.20 ± 0.02 g cm{sup −2}, which is about 50% higher compared to the median of the peak column densities associated with clumps in the other evolutionary stages. We compare the dust temperatures and column densities measured toward the center of the clumps with the mean values of each clump. We find that in the quiescent clumps, the dust temperature increases toward the outer regions and that these clumps are associated with the shallowest column density profiles. In contrast, molecular clumps in the protostellar or H ii region phase have dust temperature gradients more consistent with internal heating and are associated with steeper column density profiles compared with the quiescent clumps.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

SUPERMASSIVE BLACK HOLE MASS ESTIMATES USING SLOAN DIGITAL SKY SURVEY QUASAR SPECTRA AT 0.7 < z < 2

We present Mg II-based black hole (BH) mass estimates for 27,602 quasars with rest-frame UV spectra available in the Sloan Digital Sky Survey Data Release Three. This estimation is possible due to the existence of an empirical correlation between the radius of the broad-line region (BLR) and the continuum luminosity at 3000 A. We regenerate this correlation by applying our measurement method to UV spectra of low-redshift quasars in the Hubble Space Telescope/International Ultraviolet Explorer databases which have corresponding reverberation mapping estimates of the H{beta} BLR's radius. Our mass estimation method uses the line dispersion rather than the full width at half-maximum of the low-ionization Mg II emission line. We measure Mg II line dispersions for quasars whose spectra have been reconstructed using the most significant eigenspectra produced through Principal Component Analysis. We have tested the reliability of using reconstructed spectra in BH mass estimation using a Monte Carlo simulation and by comparing the results from original and reconstructed Data Release Three spectra. We show that using reconstructed spectra not only makes bias-free mass estimation possible for quasars with low spectroscopic signal-to-noise ratio, but also reduces the intrinsic scatter of the distribution of the BH masses to lower than 0.15 dex.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

NOCHAR Polymers: An Aqueous and Organic Liquid Solidification Process for Cadarache LOR (Liquides Organiques Radioactifs) - 13195

To handle the Very Low Level Waste (VLLW) and the Low Level Waste (LLW) in France, two options can be considered: the incineration at CENTRACO facility and the disposal facility on ANDRA sites. The waste acceptance in these radwaste routes is dependent upon the adequacy between the waste characteristics (physical chemistry and radiological) and the radwaste route specifications. If the waste characteristics are incompatible with the radwaste route specifications (presence of significant quantities of chlorine, fluorine, organic component etc or/and high activity limits), it is necessary to find an alternative solution that consists of a waste pre-treatment process. In the context of the problematic Cadarache LOR (Liquides Organiques Radioactifs) waste streams, two radioactive scintillation cocktails have to be treated. The first one is composed of organic liquids at 13.1 % (diphenyloxazol, mesitylene, TBP, xylene) and water at 86.9 %. The second one is composed of TBP at 8.6 % and water at 91.4 %. They contain chlorine, fluorine and sulphate and have got alpha/beta/gamma spectra with mass activities equal to some kBq.g{sup -1}. Therefore, tritium is present and creates the second problematic waste stream. As a consequence, in order for disposal acceptance at the ANDRA site, it is necessary to pre-treat the waste. The NOCHAR polymers as an aqueous and organic liquid solidification process seem to be an adequate solution. Indeed, these polymers constitute an important variety of products applied to the treatment of radioactive aqueous and organic liquids (solvent, oil, solvent/oil mixing etc) and sludge through a mechanical and chemical solidification process. For Cadarache LOR, N910 and N960 respectively dedicated to the organic and aqueous liquids solidification are considered. With the N910, the organic waste solidification occurs in two steps. As the organic liquid travels moves through the polymer strands, the strands swell and immobilise the liquid. Then as the polymer-organic cure, over time, the polymer continues to collapse on the organic to create a permanent bond. The N960 has the ability to absorb aqueous waste up to 100 times its own weight. It creates a strong mechanical bond which permanently traps the contamination imbedded in the aqueous liquids. As a consequence, these two polymers seem to be able to constitute a suitable solidification matrix for a final acceptance in storage on ANDRA sites. In order to validate the polymers as an acceptable aqueous and organic solidification process for Cadarache LOR, some solidification tests realized with N910 and N960, have been carried out for different Waste/Polymer ratios. The determination of the best Waste/Polymer ratio and of the optimal experimental parameters has been made through an exudation test. Indeed, the process prevents leaching and it results in the absence of residual free organic or aqueous liquid which is forbidden in storage by ANDRA specifications. With these test results, we generated scientific data which are fundamental to obtain an ANDRA agreement. As a conclusion, the aim of this study is to demonstrate that the solidification by polymers can constitute a pre-treatment solution for Cadarache LOR and more generally, for various organic and mixed organic/aqueous waste which can not be directly acceptable at CENTRACO facility or at ANDRA storage sites. This work is, therefore, a solid background to demonstrate the feasibility of the waste pre-treatment by solidification with polymers and to encourage the development of this process. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

Physical and chemical comparison of soot in hydrocarbon and biodiesel fuel diffusion flames: A study of model and commercial fuels

Data are presented to compare soot formation in both surrogate and practical fatty acid methyl ester biodiesel and petroleum fuel diffusion flames. The approach here uses differential mobility analysis to follow the size distributions and electrical charge of soot particles as they evolve in the flame, and laser ablation particle mass spectrometry to elucidate their composition. Qualitatively, these soot properties exhibit a remarkably similar development along the flames. The size distributions begin as a single mode of precursor nanoparticles, evolve through a bimodal phase marking the onset of aggregate formation, and end in a self preserving mode of fractal-like particles. Both biodiesel and hydrocarbon fuels yield a common soot composition dominated by C{sub x}H{sub y}{sup +} ions, stabilomer PAHs, and fullerenes in the positive ion mass spectrum, and C{sub x}{sup -} and C{sub 2x}H{sup -} in the negative ion spectrum. These ion intensities initially grow with height in the diffusion flames, but then decline during later stages, consistent with soot carbonization. There are important quantitative differences between fuels. The surrogate biodiesel fuel methyl butanoate substantially reduces soot levels, but soot formation and evolution in this flame are delayed relative to both soy and petroleum fuels. In contrast, soots from soy and hexadecane flames exhibit nearly quantitative agreement in their size distribution and composition profiles with height, suggesting similar soot precursor chemistry. (author)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Comparative study on the growth mechanisms of PAHs

The efficiencies of recently proposed, phenyl addition/cyclization (PAC), methyl addition/cyclization (MAC) and a popular hydrogen abstraction/acetylene addition (HACA) mechanisms have been examined experimentally by detecting the gas phase reaction products of pyrolysis of toluene with/without addition of benzene + acetylene by using vacuum ultraviolet (VUV) single photon ionization (SPI) time of flight mass spectrometry (TOFMS). Besides the observation of verities of large polycyclic aromatic hydrocarbons (PAHs), intense mass peaks of indene, phenylacetylene and propyne confirmed a remarkable quenching of the major active species, benzyl, phenyl and methyl radicals by acetylene. In spite of quenching, only benzyl contributed products were diminished while phenyl and methyl contributed products were enhanced. Uniquely observed symmetrical PAHs; corrannulene/coronene; formed by the active involvement of PAC, HACA and/or MAC mechanisms, reflects the interdependencies of these mechanisms. Individually, PAC was found highly efficient for endless growth, HACA for filling triple fusing site and MAC for expanding cyclotetra/pentafused into benzenoid structure, respectively. (author)

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

In-situ and self-distributed: A new understanding on catalyzed thermal decomposition process of ammonium perchlorate over Nd{sub 2}O{sub 3}

Catalyzed thermal decomposition process of ammonium perchlorate (AP) over neodymium oxide (Nd{sub 2}O{sub 3}) was investigated. Catalytic performances of nanometer-sized Nd{sub 2}O{sub 3} and micrometer-sized Nd{sub 2}O{sub 3} were evaluated by differential scanning calorimetry (DSC). In contrast to universal concepts, catalysts in different sizes have nearly similar catalytic activities. Based on structural and morphological variation of the catalysts during the reaction, combined with mass spectrum analyses and studies of unmixed style, a new understanding of this catalytic process was proposed. We believed that the newly formed chloride neodymium oxide (NdOCl) was the real catalytic species in the overall thermal decomposition of AP over Nd{sub 2}O{sub 3}. Meanwhile, it was the “self-distributed” procedure which occurred within the reaction that also worked for the improvement of overall catalytic activities. This work is of great value in understanding the roles of micrometer-sized catalysts used in heterogeneous reactions, especially the solid–solid reactions which could generate a large quantity of gaseous species. - Graphical abstract: In-situ and self-distributed reaction process in thermal decomposition of AP catalyzed by Nd{sub 2}O{sub 3}. - Highlights: • Micro- and nano-Nd{sub 2}O{sub 3} for catalytic thermal decomposition of AP. • No essential differences on their catalytic performances. • Structural and morphological variation of catalysts digs out catalytic mechanism. • This catalytic process is “in-situ and self-distributed” one.

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

Characterizing nanoscale precipitation in a titanium alloy by laser-assisted atom probe tomography

Highlights: • Atom-probe tomography was performed on Ti-5Al-5Mo-5V-3Cr wt% after quenching and 300 °C aging. • Isothermal ω phase was identified as Ti-rich and solute depleted after 1 h of aging. • The ω precipitate/matrix interface is O enriched. This may facilitate α formation. • High laser-pulse energies increase the probability of complex ion formation, complicating analysis. • Discrepancies between data from the LEAP 5000 XS and LEAP 4000X Si are discussed. - Abstract: Atom-probe tomography was performed on the metastable β-Ti alloy, Ti-5Al-5Mo-5V-3Cr wt% (Ti-5553), aged at 300 °C for 0 to 8 h, to precipitate the embrittling isothermal ω phase. Accurate precipitate quantification requires monitoring and controlling suitable charge-state ratios in the mass spectrum, which in turn are closely related to the laser pulse energy used. High ultraviolet laser pulse energies result in significant complex molecular ion formation during field-evaporation, causing mass spectral peak overlaps that inherently complicate data analyses. Observations and accurate quantification of the ω-phase under such conditions are difficult. The effect is minimized or eliminated by using smaller laser pulse energies. With a small laser pulse energy, Ti-rich and solute depleted precipitates of the isothermal ω phase with an oxygen enriched interface are observed as early as after 1 h aging time utilizing the LEAP 5000X S (77% detection efficiency). We note that these precipitates were not detected below a 2 h aging time with the LEAP 4000X Si (58% detection efficiency). The results are compared to the archival literature. The Al concentration in the matrix/precipitate interfacial region increases during aging. Nucleation of the α-phase at longer aging times may be facilitated by the O and Al enrichment at the matrix/precipitate interface (both strong α-stabilisers). The kinetics and compositional trajectory of the ω-phase with aging time are quantified, facilitating direct correlation of the APT data to previously published mechanical testing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Challenges in the study of Fe/MgO/Fe interfaces using 3D atom probe

Detailed interface studies were conducted on two Fe/MgO/Fe systems having different thicknesses of MgO layers, using a laser assisted 3D atom probe. In conjunction with a detailed 3D reconstruction, the system exhibited an additional oxide formation at the interface between MgO and Fe of the multilayer structure. This oxide formation was found to be independent of the laser wavelength, laser fluence and the thickness of the intermediate layers. Furthermore, by using numerical simulations of field evaporation of two layers having two different evaporation fields, we discuss the possible oxidation mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

miR-203a is involved in HBx-induced inflammation by targeting Rap1a

Hepatitis B virus (HBV) causes acute and chronic hepatitis, and is one of the major causes of cirrhosis and hepatocellular carcinoma. Accumulating evidence suggests that inflammation is the key factor for liver cirrhosis and hepatocellular carcinoma. MicroRNAs play important roles in many biological processes. Here, we aim to explore the function of microRNAs in the HBX-induced inflammation. First, microarray experiment showed that HBV{sup +} liver samples expressed higher level of miR-203a compared to HBV{sup -} liver samples. To verify these alterations, HBx-coding plasmid was transfected into HepG2 cells to overexpress HBx protein. The real-time PCR results suggested that over-expression of HBx could induce up-regulation of miR-203a. To define how up-regulation of miR-203a can induce liver cells inflammation, we over-expressed miR-203a in HepG2 cells. Annexin V staining and BrdU staining suggested that overexpression of miR-203a significantly increased the cell apoptosis and proliferation, meanwhile, over-expression of miR-203a could lead to a decrease in G0/G1 phase cells and an increase in G2/M phase cells. Some cytokines production including IL-6 and IL-8 were significantly increased, but TGFβ and IFNγ were decreased in miR-203a over-expressed HepG2 cells. Luciferase reporter assay experiments, protein mass-spectrum assay and real-time PCR all together demonstrated that Rap1a was the target gene of miR-203a. Further experiments showed that these alterations were modulated through PI3K/ERK/p38/NFκB pathways. These data suggested that HBV-infection could up-regulate the expression of miR-203a, thus down regulated the expression of Rap1a and affected the PI3K/ERK/p38/NFκB pathways, finally induced the hepatitis inflammation. - Highlights: • HBX induces the over-expression of miR-203a in HepG2 cells. • miR-203a targets Rap1a to induce the inflammation in HepG2 cells. • miR-203a regulates the apoptosis and cell cycles of HepG2 cells. • miR-203a alters the MAPK signaling pathway by down-regulating the Rap1a.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Cytoprotection, proliferation and epidermal differentiation of adipose tissue-derived stem cells on emu oil based electrospun nanofibrous mat

Electrospun nanofibrous scaffolds containing natural substances with wound healing properties such as Emu oil (EO) may have a great potential for increasing the efficiency of stem cell-based skin bioengineering. For this purpose, EO blended PCL/PEG electrospun nanofibrous mats were successfully fabricated and characterized using FE-SEM, FTIR and Universal Testing Machine. The efficiency of the scaffolds in supporting the adherence, cytoprotection, proliferation and differentiation of adipose tissue-derived stem cells (ADSCs) to keratinocyte was evaluated. GC/MS and HPLC were used to determine the composition of pure EO, which revealed to be mainly fatty acids and carotenoids. FE-SEM and cell proliferation assays showed that adhesion and proliferation of ADSCs on EO-PCL/PEG nanofibers was significantly higher than on PCL/PEG nanofibers. Additionally, EO-PCL/PEG nanofibers with free radical scavenging properties conferred a cytoprotective effect against cell-damaging free radicals, while the ability to support cell adhesion and growth was maintained or even improved. Immunostaining of ADSCs on EO-PCL/PEG nanofibers confirmed the change in morphology of ADSCs from spindle to polygonal shape suggesting their differentiation toward an epidermal linage. Moreover, the expression levels of the keratin 10, filaggrin, and involucrin that are involved in epidermal differentiation were upregulated in a stage-specific manner. This preliminary study shows that EO-PCL/PEG nanofibers could be a good candidate for the fabrication of wound dressings and skin bioengineered substitutes with ADSCs. - Highlights: • EO-PCL/PEG nanofibers showed excellent biocompatibility. • EO-PCL/PEG nanofibers conferred a cytoprotective effect against free radicals. • EO with nanofibrous scaffolds promoted epidermal differentiation of ADSCs. • EO-PCL/PEG with ADSCs provide an efficient cell–scaffold construct.

60 APPLIED LIFE SCIENCES↗