Electronic structure Fermi liquid theory of high T(sub c) superconductors: Comparison with experiments

NASA Astrophysics Data System (ADS)

Freeman, A. J.; Yu, Jaejun

1990-04-01

For years, there has been controversy on whether the normal state of the Cu-oxide superconductors is a Fermi liquid or some other exotic ground state. However, some experimentalists are clarifying the nature of the normal state of the high T(sub c) superconductors by surmounting the experimental difficulties in producing clean, well characterized surfaces so as to obtain meaningful high resolved photoemission data, which agrees with earlier positron-annihilation experiments. The experimental work on high resolution angle resolved photoemission by Campuzano et al. and positron-annihilation studies by Smedskjaer et al. has verified the calculated Fermi surfaces in YBa2Cu3O7 superconductors and has provided evidence for the validity of the energy band approach. Similar good agreement was found for Bi2Sr2CaCu2O8 by Olson et al. As a Fermi liquid (metallic) nature of the normal state of the high T(sub c) superconductors becomes evident, these experimental observations have served to confirm the predictions of the local density functional calculations and hence the energy band approach as a valid natural starting point for further studies of their superconductivity.

Electronic structure Fermi liquid theory of high T(sub c) superconductors: Comparison with experiments

NASA Technical Reports Server (NTRS)

Freeman, A. J.; Yu, Jaejun

1990-01-01

For years, there has been controversy on whether the normal state of the Cu-oxide superconductors is a Fermi liquid or some other exotic ground state. However, some experimentalists are clarifying the nature of the normal state of the high T(sub c) superconductors by surmounting the experimental difficulties in producing clean, well characterized surfaces so as to obtain meaningful high resolved photoemission data, which agrees with earlier positron-annihilation experiments. The experimental work on high resolution angle resolved photoemission by Campuzano et al. and positron-annihilation studies by Smedskjaer et al. has verified the calculated Fermi surfaces in YBa2Cu3O7 superconductors and has provided evidence for the validity of the energy band approach. Similar good agreement was found for Bi2Sr2CaCu2O8 by Olson et al. As a Fermi liquid (metallic) nature of the normal state of the high T(sub c) superconductors becomes evident, these experimental observations have served to confirm the predictions of the local density functional calculations and hence the energy band approach as a valid natural starting point for further studies of their superconductivity.

Solubility of triuranyl diphosphate tetrahydrate (TDT) and Na autunite at 23 and 50 degrees C

DOE Office of Scientific and Technical Information (OSTI.GOV)

Armstrong, Christopher R.; Felmy, Andrew R.; Clark, Sue B.

2010-11-01

In this report we present experimental solubility data for well-characterized triuranyl diphosphate tetrahydrate (TDT: (UO2)(3)(PO4)(2)center dot 4H(2)O) and Na autunite (Na[UO2PO4]center dot xH(2)O) at 23 and 50 degrees C in NaClO4-HClO4 solutions at pC(H+) = 2. Duplicate samples of TDT in 0.1, 0.5, 1.0, 2.0 and 5.0 in solutions were equilibrated at 23 and 50 degrees C. TDT solid was synthesized and characterized with ICP-OES, ATR-IR and powder XRD before and after solubility experiments. The pH of the suspensions were monitored throughout the experiments. Equilibrium was achieved from undersaturation with respect to TDT and oversaturation for Na autunite. Steady-state conditionsmore » were achieved in all cases within 82 d. TDT was unstable at ionic strengths above 0.1 m, where its complete conversion to Na autunite was observed. The ion-interaction model was used to interpret the experimental solubility data. The solubility product, log K-sp, for TDT was determined to be -49.7 and -51.3 at 23 and 50 degrees C respectively. log K for Na autunite was determined to be -24.4 (23 degrees C) and -24.1 +/- 0.2 (50 degrees C).« less

An experimental study of pyroxene crystallization during rapid cooling in a thermal gradient: application to komatiites

NASA Astrophysics Data System (ADS)

Bouquain, S.; Arndt, N. T.; Faure, F.; Libourel, G.

2014-07-01

To investigate the crystallization of pyroxene in spinifex-textured komatiites, we undertook a series of experiments in which compositions in the CaO-MgO-Al2O3-SiO2 CMAS system were cooled rapidly in a thermal gradient. Cooling rates were generally between 5 and 10 °C h-1, but some runs were made at 100-200 °C h-1; thermal gradients were between 10 and 20 °C cm-1. These conditions reproduced those at various depths in the crust of komatiite lava flow. The starting composition was chosen to have pigeonite on the liquidus, and most of the experimental charges crystallized zoned pigeonite-diopside crystals like those in komatiite lavas. An intriguing aspect of the experimental results was their lack of reproducibility. Some experiments crystallized forsterite, whereas others that were run under similar conditions crystallized two pyroxenes and no forsterite; some experiments were totally glassy, but others crystallized entirely to pyroxene. The degree of supercooling at the onset of pyroxene crystallization was variable, from less than 25 °C to more than 110 °C. We attribute these results to the difficulty of nucleation of pyroxene under the conditions of the experiments. In some cases forsterite crystallized metastably and modified the liquid composition to inhibit pyroxene crystallization; in others no nucleation took place until a large degree of supercooling was achieved, and then pyroxene crystallized rapidly. Pigeonite crystallized under a wide range of conditions, at cooling rates from 3 to 100 °C h-1. The notion that this mineral only forms at low cooling rates is not correct.

Experimental and theoretical simulations of Titan's VUV photochemistry

NASA Astrophysics Data System (ADS)

Peng, Z.; Carrasco, N.; Pernot, P.

2013-12-01

A new reactor, named APSIS (Atmospheric Photochemistry SImulated by Synchrotron), has been designed to simulate planetary atmospheric photochemistry [Peng et al. JGR-E. 2013, 118, 778]. We report here a study focusing on Titan's upper atmosphere. A nitrogen-methane gas flow was irradiated by a continuous 60-350 nm VUV beam provided by the DISCO line at SOLEIL synchrotron radiation facility. The production of C2-C4 hydrocarbons as well as several nitriles (HCN, CH3 CN and C2N2) was detected by in situ mass spectrometry, in agreement with Cassini's INMS observations at Titan, and ex situ GC-MS of a cryogenic experiment. We compared the mass spectra with those obtained by a plasma experiment [Carrasco et al. Icarus. 2012, 219, 230] and with another synchrotron-based experiment [Imanaka and Smith. PNAS. 2010, 107, 12423], and with the in situ measurements of the INMS instrument onboard Cassini probing the neutral content of Titan's upper atmosphere. In spite of lower photochemical production efficiency and different environmental conditions, the APSIS reactor seems to simulate Titan's neutral composition rather well. To interpret these experimental data, we developed a fully coupled ion-neutral photochemical model of the reactor, with uncertainty management, based on the neutral model of Hébrard et al. [J. Photochem. Photobiol. A. 2006, 7, 211], the model of ion chemistry of Plessis et al. [J. Chem. Phys. 2010, 133, 134110], and a new representation of photolysis cross-sections and branching ratios [Gans et al. Icarus. 2013, 223, 330]. Compared to the measurements, the production in Cn blocks is in good agreement. Ion chemistry and the full dissociative recombination scheme have been demonstrated to be important features of the model. The photolysis was confirmed to be globally influential by sensivity analysis. We observed the importance of the addition of small (C1 or C2) units in molecular growth, as well as 3 growth families, promoted by C2H2, C2H4 and C2H5/C2H6, respectively. Among the three, the C2H2 family, in which the growth pathways of unsaturated species via ion chemistry are the most efficient, is clearly prominent. Our model was also used to interpret the results of the INMS data and Imanaka and Smith's experiments. Through variants of the reference model of the APSIS experiments, we showed that low pressure and low temperature favor the growth of unsaturated species. These conditions are fulfilled in Titan's ionosphere. The INMS neutral spectrum, in which there is mainly the signal of unsaturated species, can be well reproduced by our simulated MS. Compared to the experimental MS of the APSIS experiments and Imanaka and Smith's experiments, the simulated MS systematically underestimate the intensities of the saturated part of each band. After the consideration of the recombinations catalyzed by the reactor's walls, we improved the simulated MS significantly. This suggests the existence of wall effects in the laboratory simulation setups of atmospheric chemistry, leading to an overestimation of the saturated products compared to Titan's chemical products.

Experimental Study of Abiotic Organic Synthesis at High Temperature and Pressure Conditions: Carbon Isotope and Mineral Surface Characterizations

NASA Astrophysics Data System (ADS)

Fu, Q.; Socki, R. A.; Niles, P. B.

2010-12-01

Abiotic organic synthesis processes have been proposed as potential mechanisms for methane generation in subseafloor hydrothermal systems on Earth, and on other planets. To better understand the detailed reaction pathways and carbon isotope fractionations in this process under a wide range of physical and chemical conditions, hydrothermal experiments at high temperature (750 °C) and pressure (0.55 GPa) were performed using piston cylinder apparatus. Formic acid was used as the source of CO2 and H2, and magnetite was the mineral catalyst. The chemical and carbon isotopic compositions of dissolved organic products were determined by GC-C-MS-IRMS, while organic intermediaries on the mineral catalyst were characterized by Pyrolysis-GC-MS. Among experimental products, dissolved CO2 was the dominant carbon species with a relative abundance of 88 mol%. Dissolved CH4 and C2H6 were also identified with a mole ratio of CH4 over C2H6 of 15:1. No dissolved CO was detected in the experiment, which might be attributable to the loss of H2 through the Au capsule used in the experiments at high temperature and pressure conditions and corresponding conversion of CO to CO2 by the water-gas shift reaction. Carbon isotope results showed that the δ13C values of CH4 and C2H6 were -50.3‰ and -39.3‰ (V-PDB), respectively. CO2 derived from decarboxylation of formic acid had a δ13C value of -19.2‰, which was 3.2‰ heavier than its source, formic acid. The δ13C difference between CO2 and CH4 was 31.1‰, which was higher than the value of 9.4‰ calculated from theoretical isotopic equilibrium predictions at experimental conditions, suggesting the presence of a kinetic isotope effect. This number was also higher than the values (4.6 to 27.1‰) observed in similar experiments previously performed at 400 °C and 50 MPa with longer reaction times. CH4 is 11.0‰ less enriched in 13C than C2H6. Alcohols were observed as carbon compounds on magnetite surfaces by Pyrolysis-GC-MS, which confirms the hypothesis regarding the reaction pathways of hydrothermal abiotic organic synthesis proposed by Fu et al. (2007, 2008). In this proposed pathway, hydroxymethylene (-CHOH) groups serve as organic intermediaries on mineral surfaces while dissolved H2 serves as a chain terminator/breaker to generate short chain hydrocarbons and oxygenated compounds. This pathway is different from the carbide polymerization theory of Fischer-Tropsch-type (FTT) synthesis in a gas phase. The observed increase of δ13C values of C1 and C2 alkanes with carbon number in our hydrothermal experiments can be readily interpreted by hydroxymethylene pathway, and might be used to differentiate between hydroxymethylene and carbide polymerization pathways. Carbon isotope analysis of alcohols on mineral catalyst surfaces is under way to provide further constraints on formation of organic compounds by FTT in hydrothermal systems.

Experimental Study of Abiotic Organic Synthesis at High Temperature and Pressure Conditions: Carbon Isotope and Mineral Surface Characterizations

NASA Technical Reports Server (NTRS)

Fu, Qi; Socki, R. A.; Niles, P. B.

2010-01-01

Abiotic organic synthesis processes have been proposed as potential mechanisms for methane generation in subseafloor hydrothermal systems on Earth, and on other planets. To better understand the detailed reaction pathways and carbon isotope fractionations in this process under a wide range of physical and chemical conditions, hydrothermal experiments at high temperature (750 C) and pressure (0.55 GPa) were performed using piston cylinder apparatus. Formic acid was used as the source of CO2 and H2, and magnetite was the mineral catalyst. The chemical and carbon isotopic compositions of dissolved organic products were determined by GC-C-MS-IRMS, while organic intermediaries on the mineral catalyst were characterized by Pyrolysis-GC-MS. Among experimental products, dissolved CO2 was the dominant carbon species with a relative abundance of 88 mol%. Dissolved CH4 and C2H6 were also identified with a mole ratio of CH4 over C2H6 of 15:1. No dissolved CO was detected in the experiment, which might be attributable to the loss of H2 through the Au capsule used in the experiments at high temperature and pressure conditions and corresponding conversion of CO to CO2 by the water-gas shift reaction. Carbon isotope results showed that the 13C values of CH4 and C2H6 were -50.3% and -39.3% (V-PDB), respectively. CO2 derived from decarboxylation of formic acid had a (sigma)C-13 value of -19.2%, which was 3.2% heavier than its source, formic acid. The (sigma)C-13 difference between CO2 and CH4 was 31.1%, which was higher than the value of 9.4% calculated from theoretical isotopic equilibrium predictions at experimental conditions, suggesting the presence of a kinetic isotope effect. This number was also higher than the values (4.6 to 27.1%) observed in similar experiments previously performed at 400 C and 50 MPa with longer reaction times. CH4 is 11.0% less enriched in C-13 than C2H6. Alcohols were observed as carbon compounds on magnetite surfaces by Pyrolysis-GC-MS, which confirms the hypothesis regarding the reaction pathways of hydrothermal abiotic organic synthesis proposed by Fu et al. (2007, 2008). In this proposed pathway, hydroxymethylene (-CHOH) groups serve as organic intermediaries on mineral surfaces while dissolved H2 serves as a chain terminator/breaker to generate short chain hydrocarbons and oxygenated compounds. This pathway is different from the carbide polymerization theory of Fischer- Tropsch-type (FTT) synthesis in a gas phase. The observed increase of (sigma)C-13 values of C1 and C2 alkanes with carbon number in our hydrothermal experiments can be readily interpreted by hydroxymethylene pathway, and might be used to differentiate between hydroxymethylene and carbide polymerization pathways. Carbon isotope analysis of alcohols on mineral catalyst surfaces is under way to provide further constraints on formation of organic compounds by FTT in hydrothermal systems.

Experimental evidence of Cr magnetic moments at low temperature in Cr2A(A=Al, Ge)C.

PubMed

Jaouen, M; Bugnet, M; Jaouen, N; Ohresser, P; Mauchamp, V; Cabioc'h, T; Rogalev, A

2014-04-30

From x-ray magnetic circular dichroism experiments performed at low temperature on Cr2AlC and Cr2GeC thin films, it is evidenced that Cr atoms carry a net magnetic moment in these ternary phases. It is shown that the Cr magnetization of the Al-based compound nearly vanished at 100 K in agreement with what has been recently observed on bulk. X-ray linear dichroism measurements performed at various angles of incidence and temperatures clearly demonstrate the existence of a charge ordering along the c axis of the structure of Cr2AlC. All these experimental observations support, in part, theoretical calculations claiming that Cr dd correlations have to be considered to correctly describe the structure and properties of these Cr-based ternary phases.

Preventing Hypothermia: Comparison of Current Devices Used by the U.S. Army with an In Vitro Warmed Crystalloid Fluid Model

DTIC Science & Technology

2010-04-01

the start of the experiment and remained so throughout the rest of the experimental period (Fig 4, Table 2). Mean core temperature observed was 36.72...removal [4, 9]. At temperatures less than 32ºC the body experiences a severe decrease in intrinsic metabolic rate. At less than 24ºC endocrine...in the field are thus forced to base their procurement decisions on either personal anecdotal experience or manufacturer claims of performance or

Space Station Biological Research Project (SSBRP) Cell Culture Unit (CCU) and incubator for International Space Station (ISS) cell culture experiments

NASA Technical Reports Server (NTRS)

Vandendriesche, Donald; Parrish, Joseph; Kirven-Brooks, Melissa; Fahlen, Thomas; Larenas, Patricia; Havens, Cindy; Nakamura, Gail; Sun, Liping; Krebs, Chris; de Luis, Javier;

Volatile compounds of sulfur in the Fe-C-S system at 5.3 GPa and 1300°C

NASA Astrophysics Data System (ADS)

Zhimulev, E. I.; Sonin, V. M.; Bul'bak, T. A.; Chepurov, A. I.; Tomilenko, A. A.; Pokhilenko, N. P.

2015-05-01

This report presents the results of experimental studies of the fluid phase in the Fe-C-S system at high P and T values (5.3 GPa and 1300°C) conforming to diamond synthesis. The samples for experiments were mounted on air; therefore, the volatile compounds detected after the experiments are characterized by a wide variety and complicated composition involving both inorganic and organic components. Among the inorganic compounds, CO2, H2O, N2, SO2, CS2, and COS were detected. The GC/MS analysis revealed hydrocarbons (paraffins, olefins, and arenes), including high-molecular compounds. The formation of heavy hydrocarbons confirms their thermodynamic stability under high pressure. Oxygenated hydrocarbons (alcohols, aldehydes, ketones, carboxylic acids, and ethers) were also detected.

Early Results from the Qweak Experiment

NASA Astrophysics Data System (ADS)

Androic, D.; Armstrong, D. S.; Asaturyan, A.; Averett, T.; Balewski, J.; Beaufait, J.; Beminiwattha, R. S.; Benesch, J.; Benmokhtar, F.; Birchall, J.; Carlini, R. D.; Cates, G. D.; Cornejo, J. C.; Covrig, S.; Dalton, M. M.; Davis, C. A.; Deconinck, W.; Diefenbach, J.; Dowd, J. F.; Dunne, J. A.; Dutta, D.; Duvall, W. S.; Elaasar, M.; Falk, W. R.; Finn, J. M.; Forest, T.; Gaskell, D.; Gericke, M. T. W.; Grames, J.; Gray, V. M.; Grimm, K.; Guo, F.; Hoskins, J. R.; Johnston, K.; Jones, D.; Jones, M.; Jones, R.; Kargiantoulakis, M.; King, P. M.; Korkmaz, E.; Kowalski, S.; Leacock, J.; Leckey, J.; Lee, A. R.; Lee, J. H.; Lee, L.; MacEwan, S.; Mack, D.; Magee, J. A.; Mahurin, R.; Mammei, J.; Martin, J.; McHugh, M. J.; Meekins, D.; Mei, J.; Michaels, R.; Micherdzinska, A.; Mkrtchyan, A.; Mkrtchyan, H.; Morgan, N.; Myers, K. E.; Narayan, A.; Ndukum, L. Z.; Nelyubin, V.; Nuruzzaman; van Oers, W. T. H.; Opper, A. K.; Page, S. A.; Pan, J.; Paschke, K.; Phillips, S. K.; Pitt, M. L.; Poelker, M.; Rajotte, J. F.; Ramsay, W. D.; Roche, J.; Sawatzky, B.; Seva, T.; Shabestari, M. H.; Silwal, R.; Simicevic, N.; Smith, G. R.; Solvignon, P.; Spayde, D. T.; Subedi, A.; Subedi, R.; Suleiman, R.; Tadevosyan, V.; Tobias, W. A.; Tvaskis, V.; Waidyawansa, B.; Wang, P.; Wells, S. P.; Wood, S. A.; Yang, S.; Young, R. D.; Zhamkochyan, S.

2014-03-01

A subset of results from the recently completed Jefferson Lab Qweak experiment are reported. This experiment, sensitive to physics beyond the Standard Model, exploits the small parity-violating asymmetry in elastic e{{p}} scattering to provide the first determination of the proton's weak charge Q_w^p. The experiment employed a 180 μA longitudinally polarized 1.16 GeV electron beam on a 35 cm long liquid hydrogen target. Scattered electrons in the angular range 6° < θ < 12° corresponding to Q2 = 0.025 GeV2 were detected in eight Cerenkov detectors arrayed symmetrically around the beam axis. The goals of the experiment were to provide a measure of e{{p}} to 4.2% (combined statisstatistical and systematic error), which implies a measure of sin2(θw) at the level of 0.3%, and to help constrain the vector weak quark charges C1u and C1d. The experimental method is described, with particular focus on the challenges associated with the world's highest power LH2 target. The new constraints on C1u and C1d provided by the subset of the experiment's data analyzed to date will also be shown, together with the extracted weak charge of the neutron.

SPRUCE Porewater Chemistry Data for Experimental Plots Beginning in 2013

DOE Data Explorer

Griffiths, N. A. [Center, Oak Ridge National Laboratory, U.S. Department of Energy, Oak Ridge, Tennessee, U.S.A.; Sebestyen, S. D. [Center, Oak Ridge National Laboratory, U.S. Department of Energy, Oak Ridge, Tennessee, U.S.A.

2016-01-01

This data set reports the chemistry of porewater in the SPRUCE plots located in the S1 bog. Sample collection and analyses started in August of 2013 and will continue for the duration of the experiment. Results will be added to this data set and released to the public periodically as quality assurance and publication of results are accomplished. These data are the pre- and post-treatment data from the warming and elevated CO2 treatments associated with the SPRUCE experiment. There are 10 experimental plots in SPRUCE: 5 temperature treatments (+0, +2.25, +4.5, +6.75, +9°C) at ambient CO2, and the same 5 temperature treatments at elevated CO2 (+500 ppm). There are 7 additional ambient plots without experimental enclosures, and thus a total of 17 plots.

Experimental investigation of nitrogen isotopic effects associated with ammonia degassing at 0-70 °C

NASA Astrophysics Data System (ADS)

Deng, Yuying; Li, Yingzhou; Li, Long

2018-04-01

Ammonia degassing is a common process in natural alkaline waters and in the atmosphere. To quantitatively assess the nitrogen cycle in these systems, the essential parameter of nitrogen isotope fractionation factors associated with ammonia degassing is required, but still not constrained yet. In this study, we carried out laboratory experiments to examine the nitrogen isotope behavior during ammonia degassing in alkaline conditions. The experiments started with ammonium sulfate solution with excess sodium hydroxide. The reaction can be described as: NH4+ + OH- (excess) → NH3·nH2O → NH3 (g)↑. Two sets of experiments, one with ammonia degassing under static conditions and the other with ammonia degassing by bubbling of N2 gas, were carried out at 2, 21, 50, and 70 °C. The results indicate that kinetic isotopic effects are dominated during efficient degassing of ammonia in the bubbling experiments, which yielded kinetic nitrogen isotope fractionation factors αNH3(g)-NH3(aq) of 0.9898 at 2 °C, 0.9918 at 21 °C, 0.9935 at 50 °C and 0.9948 at 70 °C. These values show a good relationship with temperature as 103lnαNH3(g)-NH3(aq) = 14.6 - 6.8 × 1000/T. In contrast, isotopic effects during less efficient degassing of ammonia in the static experiments are more complicated. The results do not match either kinetic isotope fractionation or equilibrium isotope fractionation but sit between these two. The most likely cause is that back dissolution of the degassed ammonia occurred in these experiments and consequently shifted kinetic isotope fractionation toward equilibrium isotope fractionation. Our experimental results highlight complicated isotopic effects may occur in natural environments, and need to be fully considered in the interpretation of field data.

Thermodynamic testing of experimental hornfels formation in metapelites

NASA Astrophysics Data System (ADS)

Tropper, Peter

2016-04-01

This study represents a comparison between thermodynamic calculations (pseudosections) and the results of the experimental investigations on low-P/high-T metapelite hornfels formation from the Southalpine domain by Tropper et al. (2016, in preparation). Pseudosection calculations were undertaken in the system KNCFMTiASH using the program THERIAK-DOMINO (De Capitani & Petrakakis 2010) with an updated version of the internally consistent data set of Holland & Powell (1998, data set tcdb55), and extended a-X models concerning the melt phase after White et al. (2001, 2007). The hornfels experiments were conducted in a hydrothermal apparatus at a pressure of 0.3 GPa over a temperature range between 550°C to 780°C in order to experimentally simulate hornfels formation and compare it to metapelitic hornfelses from Franzensfeste/Fortezza (Wyhlidal et al., 2012) and Klausen/Chiusa (Zöll, 2014) in the Southalpine domain in northern South-Tyrol. As starting materials two natural Brixen quartzphyllite samples were used. One sample W shows a low content of Na2O (0.59 wt.%) and the other sample SP5 has a higher content of Na2O (1.72 wt.%) in its bulk rock composition. The agreement between the calculated and the observed mineral assemblages in the experimental series W is satisfactory since the claculations yield much more plagioclase as is actually present and predict an earlier formation of aluminium silicates (580°C instead of 730°C). Similarly in the SP5 experiments, plagioclase is calculated to be stable in much more experiments as has been observed and the predicted formation of andalusite has also not been observed. In both experiments the calculated formation of cordierite is >650°C which is clearly higher than observed in the experiments. On the other hand temperature of melt formation at 680°C agrees very well with the textural observations in both experimental series. It is also noteworthy that muscovite is more stable in both sets of experiments than in the pseudosection calculations. This discrepancy varies between 30°C and 110°C and could be due to minor F and/or Cl contents in the micas which we did not analyse. Major mineral chemical trends could also satisfactorely be reproduced except for Ti-contents in biotite. Overall the results indicate actually satisfactorial agreement between the observed and thermodynamically stable mineral assemblages but some discrepancies still occur which are mostly due to kinetical reasons (complete old garnet resorption did not take place, inhibited growth of andalusite). Nonetheless these whole-rock experiments provide valuable information concerning the textural evolution of the natural hornfelses and thermodynamic testing not only helps to constrain equilibrium assemblages but also helps identifying certain non-equilibrium features in the experiments otherwise not detected (e.g. garnet, muscovite stability). The ultimate goal in constraining the metamorphic evolution of these high-grade hornfelses is to reconcile the experimental- and thermodynamic data with field- and petrographic observations. Only this comprehensive approach allows then drawing firm conclusions about the evolution of these high-grade metamorphic rocks. De Capitani, C. & Petrakakis, K. (2010): American Mineralogist, 95, 1006-1016. Holland, T. J. B. & Powell, R. (1998): Journal of Metamorphic Geology, 8, 89-124. White, R.W., Powell, R. & Holland, T.J.B. (2007): Journal of Metamorphic Geology, 25, 511-527. White, R.W., Powell, R. & Holland, T.J.B. (2001): Journal of Metamorphic Geology, 19, 139-153. Wyhlidal, S. et al. (2012): Mineralogy and Petrology, 106, 173-191. Zöll, K. (2014): Unpublished M.Sc. Thesis, University of Innsbruck.

Experimental study of the condensation heat transfer characteristics of CO2 in a horizontal microfin tube with a diameter of 4.95 mm

NASA Astrophysics Data System (ADS)

Son, Chang-Hyo; Oh, Hoo-Kyu

2012-11-01

The condensation heat transfer characteristics for CO2 flowing in a horizontal microfin tube were investigated by experiment with respect to condensation temperature and mass flux. The test section consists of a 2,400 mm long horizontal copper tube of 4.6 mm inner diameter. The experiments were conducted at refrigerant mass flux of 400-800 kg/m2s, and saturation temperature of 20-30 °C. The main experimental results showed that annular flow was highly dominated the majority of condensation flow in the horizontal microfin tube. The condensation heat transfer coefficient increases with decreasing saturation temperature and increasing mass flux. The experimental data were compared against previous heat transfer correlations. Most correlations failed to predict the experimental data. However, the correlation by Cavallini et al. showed relatively good agreement with experimental data in the microfin tube. Therefore, a new condensation heat transfer correlation is proposed with mean and average deviations of 3.14 and -7.6 %, respectively.

Experimental Evolution with Caenorhabditis Nematodes

PubMed Central

Teotónio, Henrique; Estes, Suzanne; Phillips, Patrick C.; Baer, Charles F.

2017-01-01

The hermaphroditic nematode Caenorhabditis elegans has been one of the primary model systems in biology since the 1970s, but only within the last two decades has this nematode also become a useful model for experimental evolution. Here, we outline the goals and major foci of experimental evolution with C. elegans and related species, such as C. briggsae and C. remanei, by discussing the principles of experimental design, and highlighting the strengths and limitations of Caenorhabditis as model systems. We then review three exemplars of Caenorhabditis experimental evolution studies, underlining representative evolution experiments that have addressed the: (1) maintenance of genetic variation; (2) role of natural selection during transitions from outcrossing to selfing, as well as the maintenance of mixed breeding modes during evolution; and (3) evolution of phenotypic plasticity and its role in adaptation to variable environments, including host–pathogen coevolution. We conclude by suggesting some future directions for which experimental evolution with Caenorhabditis would be particularly informative. PMID:28592504

Shaker Table Experiments with Rare Earth Elements Sorption from Geothermal Brine

DOE Data Explorer

Gary Garland

2015-07-21

This dataset described shaker table experiments ran with sieved -50 +100 mesh media #1 in brine #1 that have 2ppm each of the 7 REE metals at different starting pH's of 3.5, 4.5, and 5.5. The experimental conditions are 2g media to 150mL of REE solution, at 70C.

Pyrite-H2S/SO4 S isotope exchange at hydrothermal conditions: An experimental study at 300°C and 500 bars

NASA Astrophysics Data System (ADS)

Syverson, D. D.; Ono, S.; Seyfried, W. E., Jr.

2017-12-01

The rate of exchange and multiple S isotope fractionation between pyrite and dissolved H2S and SO4 was determined at 300°C and 500 bars at physiochemical conditions indicative of natural MOR hydrothermal systems by using the flexible gold cell reactor system [1]. A 34S enriched solution was designed to track reaction progress and to not significantly perturb mass dependent relationships between 33S and 36S, allowing for observations of natural mass dependent fractionation between pyrite and dissolved species during dissolution and recrystallization. The experimental data are compared with previously determined experimental constraints of S isotope exchange between fluid species [2] and with Fe and S isotope experiments conducted at higher temperature and where pyrite was precipitated rapidly from solution at 300 and 350°C and 500 bars [3, 4]. Briefly, the 34S isotope data indicate that the rate of exchange between pyrite and dissolved aqueous species is sluggish, where insignificant exchange occurred after the course of 4000 hours at 300°C, approximately 4%. Furthermore, the 33,36S mineral-fluid data indicate that upon pyrite dissolution, the light isotopes are preferentially removed into solution and incorporated as H2S and SO4-. These data are consistent with natural observations of pyrite-dissolved S disequilibrium and provide important insight towards mineral reactivity and retentiveness of recording mineral formation conditions. [1] Seyfried Jr., W.E., Janecky, D.R. & Berndt, M.E. 1987 Rocking autoclaves for hydrothermal experiments: II. The flexible reaction-cell system. Hydrothermal Experimental Techniques 216-239. [2] Ohmoto, H. & Lasaga, A.C. 1982 Kinetics of reactions between aqueous sulfates and sulfides in hydrothermal systems. Geochimica et Cosmochimica Acta 46, 1727-1745. [3] Syverson, D.D., Borrok, D.M. & Seyfried Jr., W.E. 2013 Experimental determination of equilibrium Fe isotopic fractionation between pyrite and dissolved Fe under hydrothermal conditions. Geochimica et Cosmochimica Acta 122, 170-183. [4] Syverson, D.D., Ono, S., Shanks, W.C. & Seyfried Jr., W.E. 2015 Multiple sulfur isotope fractionation and mass transfer processes during pyrite precipitation and recrystallization: An experimental study at 300 and 350°C. Geochimica et Cosmochimica Acta 165, 418-434.

Carbon Isotope Measurements of Experimentally-Derived Hydrothermal Mineral-Catalyzed Organic Products by Pyrolysis-Isotope Ratio Mass Spectrometry

NASA Technical Reports Server (NTRS)

Socki, Richard A.; Fu, Qi; Niles, Paul B.

2011-01-01

We report results of experiments to measure the C isotope composition of mineral catalyzed organic compounds derived from high temperature and high pressure synthesis. These experiments make use of an innovative pyrolysis technique designed to extract and measure C isotopes. To date, our experiments have focused on the pyrolysis and C isotope ratio measurements of low-molecular weight intermediary hydrocarbons (organic acids and alcohols) and serve as a proof of concept for making C and H isotope measurements on more complicated mixtures of solid-phase hydrocarbons and intermediary products produced during high temperature and high pressure synthesis on mineral-catalyzed surfaces. The impetus for this work stems from recently reported observations of methane detected within the Martian atmosphere [1-4], coupled with evidence showing extensive water-rock interaction during Martian history [5-7]. Methane production on Mars could be the result of synthesis by mineral surface-catalyzed reduction of CO2 and/or CO by Fischer-Tropsch Type (FTT) reactions during serpentization reactions [8,9]. Others have conducted experimental studies to show that FTT reactions are plausible mechanisms for low-molecular weight hydrocarbon formation in hydrothermal systems at mid-ocean ridges [10-12]. Further, recent experiments by Fu et al. [13] focus on examining detailed C isotope measurements of hydrocarbons produced by surface-catalyzed mineral reactions. Work described in this paper details the experimental techniques used to measure intermediary organic reaction products (alcohols and organic acids).

Determining pH at elevated pressure and temperature using in situ ¹³C NMR.

PubMed

Surface, J Andrew; Wang, Fei; Zhu, Yanzhe; Hayes, Sophia E; Giammar, Daniel E; Conradi, Mark S

2015-02-03

We have developed an approach for determining pH at elevated pressures and temperatures by using (13)C NMR measurements of inorganic carbon species together with a geochemical equilibrium model. The approach can determine in situ pH with precision better than 0.1 pH units at pressures, temperatures, and ionic strengths typical of geologic carbon sequestration systems. A custom-built high pressure NMR probe was used to collect (13)C NMR spectra of (13)C-labeled CO2 reactions with NaOH solutions and Mg(OH)2 suspensions at pressures up to 107 bar and temperatures of 80 °C. The quantitative nature of NMR spectroscopy allows the concentration ratio [CO2]/[HCO3(-)] to be experimentally determined. This ratio is then used with equilibrium constants calculated for the specific pressure and temperature conditions and appropriate activity coefficients for the solutes to calculate the in situ pH. The experimentally determined [CO2]/[HCO3(-)] ratios agree well with the predicted values for experiments performed with three different concentrations of NaOH and equilibration with multiple pressures of CO2. The approach was then applied to experiments with Mg(OH)2 slurries in which the change in pH could track the dissolution of CO2 into solution, rapid initial Mg(OH)2 dissolution, and onset of magnesium carbonate precipitation.

Experimental Evidence for Fast Lithium Diffusion and Isotope Fractionation in Water-bearing Rhyolitic Melts at Magmatic Conditions

NASA Astrophysics Data System (ADS)

Cichy, S. B.; Till, C. B.; Roggensack, K.; Hervig, R. L.; Clarke, A. B.

2015-12-01

The aim of this work is to extend the existing database of experimentally-determined lithium diffusion coefficients to more natural cases of water-bearing melts at the pressure-temperature range of the upper crust. In particular, we are investigating Li intra-melt and melt-vapor diffusion and Li isotope fractionation, which have the potential to record short-lived magmatic processes (seconds to hours) in the shallow crust, especially during decompression-induced magma degassing. Hydrated intra-melt Li diffusion-couple experiments on Los Posos rhyolite glass [1] were performed in a piston cylinder at 300 MPa and 1050 °C. The polished interfaces between the diffusion couples were marked by addition of Pt powder for post-run detection. Secondary ion mass spectrometry analyses indicate that lithium diffuses extremely fast in the presence of water. Re-equilibration of a hydrated ~2.5 mm long diffusion-couple experiment was observed during the heating period from room temperature to the final temperature of 1050 °C at a rate of ~32 °C/min. Fractionation of ~40‰ δ7Li was also detected in this zero-time experiment. The 0.5h and 3h runs show progressively higher degrees of re-equilibration, while the isotope fractionation becomes imperceptible. Li contamination was observed in some experiments when flakes filed off Pt tubing were used to mark the diffusion couple boundary, while the use of high purity Pt powder produced better results and allowed easier detection of the diffusion-couple boundary. The preliminary lithium isotope fractionation results (δ7Li vs. distance) support findings from [2] that 6Li diffuses substantially faster than 7Li. Further experimental sets are in progress, including lower run temperatures (e.g. 900 °C), faster heating procedure (~100 °C/min), shorter run durations and the extension to mafic systems. [1] Stanton (1990) Ph.D. thesis, Arizona State Univ., [2] Richter et al. (2003) GCA 67, 3905-3923.

The effects of ionic strength and organic matter on virus inactivation at low temperatures: general likelihood uncertainty estimation (GLUE) as an alternative to least-squares parameter optimization for the fitting of virus inactivation models

NASA Astrophysics Data System (ADS)

Mayotte, Jean-Marc; Grabs, Thomas; Sutliff-Johansson, Stacy; Bishop, Kevin

2017-06-01

This study examined how the inactivation of bacteriophage MS2 in water was affected by ionic strength (IS) and dissolved organic carbon (DOC) using static batch inactivation experiments at 4 °C conducted over a period of 2 months. Experimental conditions were characteristic of an operational managed aquifer recharge (MAR) scheme in Uppsala, Sweden. Experimental data were fit with constant and time-dependent inactivation models using two methods: (1) traditional linear and nonlinear least-squares techniques; and (2) a Monte-Carlo based parameter estimation technique called generalized likelihood uncertainty estimation (GLUE). The least-squares and GLUE methodologies gave very similar estimates of the model parameters and their uncertainty. This demonstrates that GLUE can be used as a viable alternative to traditional least-squares parameter estimation techniques for fitting of virus inactivation models. Results showed a slight increase in constant inactivation rates following an increase in the DOC concentrations, suggesting that the presence of organic carbon enhanced the inactivation of MS2. The experiment with a high IS and a low DOC was the only experiment which showed that MS2 inactivation may have been time-dependent. However, results from the GLUE methodology indicated that models of constant inactivation were able to describe all of the experiments. This suggested that inactivation time-series longer than 2 months were needed in order to provide concrete conclusions regarding the time-dependency of MS2 inactivation at 4 °C under these experimental conditions.

Quasi-Classical Trajectory Dynamics Study of the Cl(2P) + C2H6 → HCl(v,j) + C2H5 Reaction. Comparison with Experiment.

PubMed

Espinosa-Garcia, Joaquin; Martinez-Nuñez, Emilio; Rangel, Cipriano

2018-03-15

To understand and simulate the dynamics behavior of the title reaction, QCT calculations were performed on a recently developed global analytical potential energy surface, PES-2017. These calculations combine the classical description of the dynamics with pseudoquantization in the reactants and products to perform a theoretical/experimental comparison on the same footing. Thus, in the products a series of constraints are included to analyze the HCl(v = 0,j) product, which is experimentally detected. At collision energies of 5.5 and 6.7 kcal mol -1 the largest fraction of available energy is deposited as translation, 67%, while the ethyl radical shows significant internal energy, 27%, and so it does not act as a spectator of the reaction, thus reproducing recent experimental evidence. The HCl(v=0, j) rotational distribution is cold, peaking at j = 2, only one unit hotter than experiment, which represents an error of 0.12 kcal mol -1 . At a collision energy of 5.5 kcal mol -1 product translational distribution is slightly hotter than experiment, but at 6.7 kcal mol -1 agreement with recent experiments is practically quantitative, suggesting that the first experiments should be revised. In addition, we observe that the HCl(v=0, j) scattering distribution shifts from isotropic at low values of j to backward at high values of j, which is in agreement with experimental data. Finally, no evidence was found for the "chattering" mechanism suggested to explain the low translational energy of the HCl product in the backward scattering region. In sum, agreement with experiments of a series of sensible dynamic properties permits us to be optimistic on the quality and accuracy of the theoretical tools used in the present work, QCT and PES-2017.

HNCA-TOCSY-CANH experiments with alternate 13C-12C labeling: a set of 3D experiment with unique supra-sequential information for mainchain resonance assignment

PubMed Central

Takeuchi, Koh; Gal, Maayan; Takahashi, Hideo; Shimada, Ichio

2011-01-01

Described here is a set of three-dimensional (3D) NMR experiments that rely on CACA-TOCSY magnetization transfer via the weak 3JCαCα coupling. These pulse sequences, which resemble recently described 13C detected CACA-TOCSY (Takeuchi et al. 2010) experiments, are recorded in 1H2O, and use 1H excitation and detection. These experiments require alternate 13C-12C labeling together with perdeuteration, which allows utilizing the small 3JCαCα scalar coupling that is otherwise masked by the stronger 1JCC couplings in uniformly 13C labeled samples. These new experiments provide a unique assignment ladder-mark that yields bidirectional supra-sequential information and can readily straddle proline residues. Unlike the conventional HNCA experiment, which contains only sequential information to the 13Cα of the preceding residue, the 3D hnCA-TOCSY-caNH experiment can yield sequential correlations to alpha carbons in positions i−1, i + 1 and i−2. Furthermore, the 3D hNca-TOCSY-caNH and Hnca-TOC-SY-caNH experiments, which share the same magnetization pathway but use a different chemical shift encoding, directly couple the 15N-1H spin pair of residue i to adjacent amide protons and nitrogens at positions i−2, i−1, i + 1 and i + 2, respectively. These new experimental features make protein backbone assignments more robust by reducing the degeneracy problem associated with the conventional 3D NMR experiments. PMID:21110064

Modeling thermal and irradiation-induced swelling effects on the integrity of Ti 3 SiC 2 /SiC joints

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

Previously, results for CVD-SiC joints created using solid state displacement reactions to form a dual-phase SiC/MAX phase irradiated at 800°C and 5 dpa indicated some extent of cracking in the joint and along the CVD-SiC/joint interface. This paper elucidates the origin of cracking by thermomechanical modeling combined with irradiation-induced swelling effects using a continuum damage approach with support of micromechanical modeling. Three irradiation temperatures (400°C, 500°C and 800°C) are considered assuming experimental irradiation doses in a range leading to saturation swelling in SiC. The analyses indicate that a SiC/MAX joint heated to 400°C fails during irradiation-induced swelling at this temperaturemore » while it experiences some damage after being heated to 500°C and irradiated at the same temperature. However, it fails during cooling from 500°C to room temperature. The joint experiences minor damage when heated to and irradiated at 800°C but does not fail after cooling. The prediction agrees with the experimental findings available for this case.« less

Coupling experimental and field-based approaches to decipher carbon sources in the shell of the great scallop, Pecten maximus (L.)

NASA Astrophysics Data System (ADS)

Marchais, V.; Richard, J.; Jolivet, A.; Flye-Sainte-Marie, J.; Thébault, J.; Jean, F.; Richard, P.; Paulet, Y.-M.; Clavier, J.; Chauvaud, L.

2015-11-01

This research investigated how the carbon isotopic composition of food source (δ13Cfood) and dissolved inorganic carbon (δ13CDIC) influences the carbon isotopic composition of Pecten maximus shells (δ13Cshell) under both experimental and natural conditions. The objectives are to better understand the relationship between P. maximus and its environment, and to specifically distinguish conditions under which calcification is influenced by respired CO2 derived from food sources versus conditions in which calcification uses inorganic carbon from seawater. Laboratory experiment investigated carbon incorporation into shell carbonates by maintaining scallops under conditions where the stable carbon isotopic composition of food sources was considerably depleted (-54‰), relative to values observed in the natural environment (-21‰). Laboratory experiment ran for 78 days under three temperature conditions, 15 °C, 21 °C and 25 °C. A survey of the environmental parameters and stable carbon isotopic composition into shell carbonate of natural population of P. maximus was also realized during the same year in the Bay of Brest, France. Data collected from both laboratory experiment and the natural environment confirmed that both δ13CDIC and δ13Cfood influence δ13Cshell values and that organic carbon incorporation (CM) averages about 10% (4.3-6.8% under experimental conditions and 1.9-16.6% in the natural environment). The shift in stable carbon isotopic composition from the uptake of depleted food sources under experimental conditions realized a marked divergence in the predicted equilibrium between calcium carbonate and ambient bicarbonate, relative to the natural environment. This offset was 1.7 ± 0.6‰ for scallops in their natural environment and 2.5 ± 0.5 and 3.2 ± 0.9‰ for scallops under experimental conditions at water temperatures of 15 °C and 21 °C, respectively. The offset of 3‰ for scallops subjected to laboratory experiment could not be explained in light of growth rate but may be related to food supply and/or temperature. Food source and temperature effects may also explain the annual variation observed in CM values measured from scallops in their natural environment. CM estimation from the natural population of P. maximus varied seasonally from around 2% at the end of winter, to 12% in summer. The seasonal variation resembles variability in the carbon isotopic composition of the food sources throughout the year with an exception at the end of winter.

Pre-eruptive storage conditions and continuous decompression relations of rhyodacite magma erupted from Chaos Crags, Lassen Volcanic Center, California

NASA Astrophysics Data System (ADS)

Quinn, E. T.; Andrews, B. J.; Schwab, B. E.; Clynne, M. A.

2013-12-01

We performed a series of hydrothermal (high-temperature and -pressure) phase equilibrium experiments on a natural rhyodacite pumice from the 1103 ×13 years BP pyroclastic flow from the Chaos Crags, Lassen Volcanic Center, California. The pumice (LQ13-01, collected at the same location as LC84-417 (69.58 wt. % SiO2) by Clynne) is from the lower pyroclastic flow member of the group 1 lavas, the most silicic products known of Chaos Crags. Group 1 lavas are homogeneous (69-70 wt. % SiO2), petrographically and compositionally similar with rare to sparse mafic inclusions, and comprise the earliest emplaced units of Chaos Crags, the lower, middle, and upper pyroclastic flows, and domes A and B, whereas group 2 are comparatively heterogeneous (67-69 wt. % SiO2), with increasing abundance (10-15%) of mafic inclusions throughout the emplacement sequence, and comprise domes C through F. The phase assemblage in the natural sample used as experimental starting material comprises phenocrysts of quartz, plagioclase feldspars with rims of ~An35, biotite, hornblende, and Fe-Ti oxides in a vesiculated glassy matrix. Trace mafic enclaves are also present, but were removed from experimental starting material. All experiments were performed at the Smithsonian Institution. Experiments were run under H2O-saturated conditions at pressures of 75 MPa to 200 MPa and temperatures of 750°C to 900°C, at oxygen fugacity NNO+1 (×0.5-log-units), for 93 to 132 hours. EPMA and SEM analyses of experimental products show quartz is stable from <200 MPa at 750°C to <150 MPa at 800°C and is not stable at temperatures >800°C, within the investigated range. Amphibole is stable from >75 MPa at 750°C to >100 MPa at 800°C to 200 MPa at <850°C, and is not stable ≤75 MPa or ≥850°C. Biotite is stable at <800°C at 75 MPa to <825°C at 200 MPa, and not stable for any pressure at ≥850°C. Pyroxene, not present in the starting material is stable for 200MPa at >775°C and all pressures at temperatures ≥825°C, within the investigated range. FTIR analysis of quartz-hosted melt inclusions contain 4.0-5.0 wt. % H2O (average 4.3 wt. %), suggesting saturation pressures of 100-110 MPa (calculated using model of Papale et al., 2006). Comparison of the natural samples with the experimentally determined phase diagram and melt inclusions, suggests pre-eruptive storage conditions of 110-125 MPa and 775°C; given FeTi-oxide temperatures of 850 °C, magma may have been heated by as much as 75-100°C immediately prior to eruption. Ongoing work includes EPMA analysis of plagioclase feldspars and amphiboles to further constrain An-stability and hornblende-cummingtonite relations , respectively, and analysis of titanomagnetite-ilmenite pairs. Continuous decompression experiments are underway with rates ranging from 0.3 MPa/hr to 7.5 MPa/hr, corresponding to total decompression times of 16 hours to 18 days.

Dissociative electron attachment to C{sub 2}F{sub 5} radicals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haughey, Sean A.; Field, Thomas A.; Langer, Judith

Dissociative electron attachment to the reactive C{sub 2}F{sub 5} molecular radical has been investigated with two complimentary experimental methods; a single collision beam experiment and a new flowing afterglow Langmuir probe technique. The beam results show that F{sup -} is formed close to zero electron energy in dissociative electron attachment to C{sub 2}F{sub 5}. The afterglow measurements also show that F{sup -} is formed in collisions between electrons and C{sub 2}F{sub 5} molecules with rate constants of 3.7 Multiplication-Sign 10{sup -9} cm{sup 3} s{sup -1} to 4.7 Multiplication-Sign 10{sup -9} cm{sup 3} s{sup -1} at temperatures of 300-600 K. Themore » rate constant increases slowly with increasing temperature, but the rise observed is smaller than the experimental uncertainty of 35%.« less

Pyrolysis of furan in a microreactor

NASA Astrophysics Data System (ADS)

Urness, Kimberly N.; Guan, Qi; Golan, Amir; Daily, John W.; Nimlos, Mark R.; Stanton, John F.; Ahmed, Musahid; Ellison, G. Barney

2013-09-01

A silicon carbide microtubular reactor has been used to measure branching ratios in the thermal decomposition of furan, C4H4O. The pyrolysis experiments are carried out by passing a dilute mixture of furan (approximately 0.01%) entrained in a stream of helium through the heated reactor. The SiC reactor (0.66 mm i.d., 2 mm o.d., 2.5 cm long) operates with continuous flow. Experiments were performed with a reactor inlet pressure of 100-300 Torr and a wall temperature between 1200 and 1600 K; characteristic residence times in the reactor are 60-150 μs. The unimolecular decomposition pathway of furan is confirmed to be: furan (+ M) rightleftharpoons α-carbene or β-carbene. The α-carbene fragments to CH2=C=O + HC≡CH while the β-carbene isomerizes to CH2=C=CHCHO. The formyl allene can isomerize to CO + CH3C≡CH or it can fragment to H + CO + HCCCH2. Tunable synchrotron radiation photoionization mass spectrometry is used to monitor the products and to measure the branching ratio of the two carbenes as well as the ratio of [HCCCH2]/[CH3C≡CH]. The results of these pyrolysis experiments demonstrate a preference for 80%-90% of furan decomposition to occur via the β-carbene. For reactor temperatures of 1200-1400 K, no propargyl radicals are formed. As the temperature rises to 1500-1600 K, at most 10% of the decomposition of CH2=C=CHCHO produces H + CO + HCCCH2 radicals. Thermodynamic conditions in the reactor have been modeled by computational fluid dynamics and the experimental results are compared to the predictions of three furan pyrolysis mechanisms. Uncertainty in the pressure-dependency of the initiation reaction rates is a possible a source of discrepancy between experimental results and theoretical predictions.

Flame experiments at the advanced light source: new insights into soot formation processes.

PubMed

Hansen, Nils; Skeen, Scott A; Michelsen, Hope A; Wilson, Kevin R; Kohse-Höinghaus, Katharina

2014-05-26

The following experimental protocols and the accompanying video are concerned with the flame experiments that are performed at the Chemical Dynamics Beamline of the Advanced Light Source (ALS) of the Lawrence Berkeley National Laboratory(1-4). This video demonstrates how the complex chemical structures of laboratory-based model flames are analyzed using flame-sampling mass spectrometry with tunable synchrotron-generated vacuum-ultraviolet (VUV) radiation. This experimental approach combines isomer-resolving capabilities with high sensitivity and a large dynamic range(5,6). The first part of the video describes experiments involving burner-stabilized, reduced-pressure (20-80 mbar) laminar premixed flames. A small hydrocarbon fuel was used for the selected flame to demonstrate the general experimental approach. It is shown how species' profiles are acquired as a function of distance from the burner surface and how the tunability of the VUV photon energy is used advantageously to identify many combustion intermediates based on their ionization energies. For example, this technique has been used to study gas-phase aspects of the soot-formation processes, and the video shows how the resonance-stabilized radicals, such as C3H3, C3H5, and i-C4H5, are identified as important intermediates(7). The work has been focused on soot formation processes, and, from the chemical point of view, this process is very intriguing because chemical structures containing millions of carbon atoms are assembled from a fuel molecule possessing only a few carbon atoms in just milliseconds. The second part of the video highlights a new experiment, in which an opposed-flow diffusion flame and synchrotron-based aerosol mass spectrometry are used to study the chemical composition of the combustion-generated soot particles(4). The experimental results indicate that the widely accepted H-abstraction-C2H2-addition (HACA) mechanism is not the sole molecular growth process responsible for the formation of the observed large polycyclic aromatic hydrocarbons (PAHs).

Flame Experiments at the Advanced Light Source: New Insights into Soot Formation Processes

PubMed Central

Hansen, Nils; Skeen, Scott A.; Michelsen, Hope A.; Wilson, Kevin R.; Kohse-Höinghaus, Katharina

2014-01-01

The following experimental protocols and the accompanying video are concerned with the flame experiments that are performed at the Chemical Dynamics Beamline of the Advanced Light Source (ALS) of the Lawrence Berkeley National Laboratory1-4. This video demonstrates how the complex chemical structures of laboratory-based model flames are analyzed using flame-sampling mass spectrometry with tunable synchrotron-generated vacuum-ultraviolet (VUV) radiation. This experimental approach combines isomer-resolving capabilities with high sensitivity and a large dynamic range5,6. The first part of the video describes experiments involving burner-stabilized, reduced-pressure (20-80 mbar) laminar premixed flames. A small hydrocarbon fuel was used for the selected flame to demonstrate the general experimental approach. It is shown how species’ profiles are acquired as a function of distance from the burner surface and how the tunability of the VUV photon energy is used advantageously to identify many combustion intermediates based on their ionization energies. For example, this technique has been used to study gas-phase aspects of the soot-formation processes, and the video shows how the resonance-stabilized radicals, such as C3H3, C3H5, and i-C4H5, are identified as important intermediates7. The work has been focused on soot formation processes, and, from the chemical point of view, this process is very intriguing because chemical structures containing millions of carbon atoms are assembled from a fuel molecule possessing only a few carbon atoms in just milliseconds. The second part of the video highlights a new experiment, in which an opposed-flow diffusion flame and synchrotron-based aerosol mass spectrometry are used to study the chemical composition of the combustion-generated soot particles4. The experimental results indicate that the widely accepted H-abstraction-C2H2-addition (HACA) mechanism is not the sole molecular growth process responsible for the formation of the observed large polycyclic aromatic hydrocarbons (PAHs). PMID:24894694

Experimental deformation of a mafic rock - interplay between fracturing, reaction and viscous deformation

NASA Astrophysics Data System (ADS)

Marti, Sina; Stünitz, Holger; Heilbronner, Renée; Plümper, Oliver; Drury, Martyn

2016-04-01

Deformation experiments were performed on natural Maryland Diabase (˜ 55% Plg, 42% Px, 3% accessories, 0.18 wt.-% H2O added) in a Griggs-type deformation apparatus in order to explore the brittle-viscous transition and the interplay between deformation and mineral reactions. Shear experiments at strain rates of ˜ 2e-5 /s are performed, at T=600, 700 and 800°C and confining pressures Pc=1.0 and 1.5 GPa. Deformation localizes in all experiments. Below 700°C, the microstructure is dominated by brittle deformation with a foliation formed by cataclastic flow and high strain accommodated along 3-5 major ultracataclasite shear bands. At 700°C, the bulk of the material still exhibits abundant microfractures, however, deformation localizes into an anastomosing network of shear bands (SB) formed from a fine-grained (<< 1 μm) mixture of newly formed Plg and Amph. These reaction products occur almost exclusively along syn-kinematic structures such as fractures and SB. Experiments at 800°C show extensive mineral reactions, with the main reaction products Amph+Plg (+Zo). Deformation is localized in broad C' and C SB formed by a fine-grained (0.1 - 0.8 μm) mixture of Plg+Amph (+Zo). The onset of mineral reactions in the 700°C experiments shows that reaction kinetics and diffusional mass transport are fast enough to keep up with the short experimental timescales. While in the 700°C experiments brittle processes kinematically contribute to deformation, fracturing is largely absent at 800°C. Diffusive mass transfer dominates. The very small grain size within SB favours a grain size sensitive deformation mechanism. Due to the presence of water (and relatively high supported stresses), dissolution-precipitation creep is interpreted to be the dominant strain accommodating mechanism. From the change of Amph coronas around Px clasts with strain, we can determine that Amph is re-dissolved at high stress sites while growing in low stress sites, showing the ability of Amph to accommodate strain via dissolution precipitation creep. The transition from dominantly brittle, to dominantly viscous deformation is determined by the onset of diffusive mass transport. In the transitional regime, reaction kinetics are strongly dependent on strain energy and viscously deforming SB form most likely from an initial brittle stage in a dominantly brittle behaving rock. Viscous deformation in our experiments takes place at comparatively low experimental T, providing a realistic phase assemblage and likely deformation mechanism for the lower crust.

Edge on Impact Simulations and Experiments

DTIC Science & Technology

2013-09-01

silicon carbide ( SiC ) and aluminum oxynitride (AlON) ceramics are predicted using the Kayenta macroscopic constitutive model. Aspects regarding...damage propagation. 2.1. Silicon Carbide SiC is an opaque ceramic explored by the armor community. It is perhaps the most extensively characterized...the Weibull modulus for SiC . 4.1. Silicon Carbide Figures 3 and 4 compare experimental images with model predictions of EOI of SiC targets at respective

T2L2 on JASON-2: First Evaluation of the Flying Model

DTIC Science & Technology

2007-01-01

Para, J.-M. Torre R&D Metrology CNRS/GEMINI Observatoire de la Côte d’Azur Caussol, France E-mail: philippe.guillemot@cnes.fr Abstract...Laser Link” experiment T2L2 [1], under development at OCA (Observatoire de la Côte d’Azur) and CNES (Centre National d’Etudes Spatiales), France, will be...Experimental Astronomy, 7, 191-207. [2] P. Fridelance and C. Veillet, 1995, “Operation and data analysis in the LASSO experiment,” Metrologia

Numerical investigation of flow on NACA4412 aerofoil with different aspect ratios

NASA Astrophysics Data System (ADS)

Demir, Hacımurat; Özden, Mustafa; Genç, Mustafa Serdar; Çağdaş, Mücahit

2016-03-01

In this study, the flow over NACA4412 was investigated both numerically and experimentally at a different Reynolds numbers. The experiments were carried out in a low speed wind tunnel with various angles of attack and different Reynolds numbers (25000 and 50000). Airfoil was manufactured using 3D printer with a various aspect ratios (AR = 1 and AR = 3). Smoke-wire and oil flow visualization methods were used to visualize the surface flow patterns. NACA4412 aerofoil was designed by using SOLIDWORKS. The structural grid of numerical model was constructed by ANSYS ICEM CFD meshing software. Furthermore, ANSYS FLUENT™ software was used to perform numerical calculations. The numerical results were compared with experimental results. Bubble formation was shown in CFD streamlines and smoke-wire experiments at z / c = 0.4. Furthermore, bubble shrunk at z / c = 0.2 by reason of the effects of tip vortices in both numerical and experimental studies. Consequently, it was seen that there was a good agreement between numerical and experimental results.

Development and validation of a 10-year-old child ligamentous cervical spine finite element model.

PubMed

Dong, Liqiang; Li, Guangyao; Mao, Haojie; Marek, Stanley; Yang, King H

2013-12-01

Although a number of finite element (FE) adult cervical spine models have been developed to understand the injury mechanisms of the neck in automotive related crash scenarios, there have been fewer efforts to develop a child neck model. In this study, a 10-year-old ligamentous cervical spine FE model was developed for application in the improvement of pediatric safety related to motor vehicle crashes. The model geometry was obtained from medical scans and meshed using a multi-block approach. Appropriate properties based on review of literature in conjunction with scaling were assigned to different parts of the model. Child tensile force-deformation data in three segments, Occipital-C2 (C0-C2), C4-C5 and C6-C7, were used to validate the cervical spine model and predict failure forces and displacements. Design of computer experiments was performed to determine failure properties for intervertebral discs and ligaments needed to set up the FE model. The model-predicted ultimate displacements and forces were within the experimental range. The cervical spine FE model was validated in flexion and extension against the child experimental data in three segments, C0-C2, C4-C5 and C6-C7. Other model predictions were found to be consistent with the experimental responses scaled from adult data. The whole cervical spine model was also validated in tension, flexion and extension against the child experimental data. This study provided methods for developing a child ligamentous cervical spine FE model and to predict soft tissue failures in tension.

Selective Generation of the Radical Cation Isomers [CH3CN](•+) and [CH2CNH](•+) via VUV Photoionization of Different Neutral Precursors and Their Reactivity with C2H4.

PubMed

Polášek, Miroslav; Zins, Emilie-Laure; Alcaraz, Christian; Žabka, Ján; Křížová, Věra; Giacomozzi, Linda; Tosi, Paolo; Ascenzi, Daniela

2016-07-14

Experimental and theoretical studies have been carried out to demonstrate the selective generation of two different C2H3N(+) isomers, namely, the acetonitrile [CH3CN](•+) and the ketenimine [CH2CNH](•+) radical cations. Photoionization and dissociative photoionization experiments from different neutral precursors (acetonitrile and butanenitrile) have been performed using vacuum ultraviolet (VUV) synchrotron radiation in the 10-15 eV energy range, delivered by the DESIRS beamline at the SOLEIL storage ring. For butanenitrile (CH3CH2CH2CN) an experimental ionization threshold of 11.29 ± 0.05 eV is obtained, whereas the appearance energy for the formation of [CH2CNH](•+) fragments is 11.52 ± 0.05 eV. Experimental findings are fully supported by theoretical calculations at the G4 level of theory (ZPVE corrected energies at 0 K), giving a value of 11.33 eV for the adiabatic ionization energy of butanenitrile and an exothermicity of 0.49 for fragmentation into [CH2CNH](•+) plus C2H4, hampered by an energy barrier of 0.29 eV. The energy difference between [CH3CN](•+) and [CH2CNH](•+) is 2.28 eV (with the latter being the lowest energy isomer), and the isomerization barrier is 0.84 eV. Reactive monitoring experiments of the [CH3CN](•+) and [CH2CNH](•+) isomers with C2H4 have been performed using the CERISES guided ion beam tandem mass spectrometer and exploiting the selectivity of ethylene that gives exothermic charge exchange and proton transfer reactions with [CH3CN](•+) but not with [CH2CNH](•+) isomers. In addition, minor reactive channels are observed leading to the formation of new C-C bonds upon reaction of [CH3CN](•+) with C2H4, and their astrochemical implications are briefly discussed.

Experimental determination of a Viviparus contectus thermometry equation.

PubMed

Bugler, Melanie J; Grimes, Stephen T; Leng, Melanie J; Rundle, Simon D; Price, Gregory D; Hooker, Jerry J; Collinson, Margaret E

2009-09-01

Experimental measurements of the (18)O/(16)O isotope fractionation between the biogenic aragonite of Viviparus contectus (Gastropoda) and its host freshwater were undertaken to generate a species-specific thermometry equation. The temperature dependence of the fractionation factor and the relationship between Deltadelta(18)O (delta(18)O(carb.) - delta(18)O(water)) and temperature were calculated from specimens maintained under laboratory and field (collection and cage) conditions. The field specimens were grown (Somerset, UK) between August 2007 and August 2008, with water samples and temperature measurements taken monthly. Specimens grown in the laboratory experiment were maintained under constant temperatures (15 degrees C, 20 degrees C and 25 degrees C) with water samples collected weekly. Application of a linear regression to the datasets indicated that the gradients of all three experiments were within experimental error of each other (+/-2 times the standard error); therefore, a combined (laboratory and field data) correlation could be applied. The relationship between Deltadelta(18)O (delta(18)O(carb.) - delta(18)O(water)) and temperature (T) for this combined dataset is given by: T = - 7.43( + 0.87, - 1.13)*Deltadelta18O + 22.89(+/- 2.09) (T is in degrees C, delta(18)O(carb.) is with respect to Vienna Pee Dee Belemnite (VPDB) and delta(18)O(water) is with respect to Vienna Standard Mean Ocean Water (VSMOW). Quoted errors are 2 times standard error).Comparisons made with existing aragonitic thermometry equations reveal that the linear regression for the combined Viviparus contectus equation is within 2 times the standard error of previously reported aragonitic thermometry equations. This suggests there are no species-specific vital effects for Viviparus contectus. Seasonal delta(18)O(carb.) profiles from specimens retrieved from the field cage experiment indicate that during shell secretion the delta(18)O(carb.) of the shell carbonate is not influenced by size, sex or whether females contained eggs or juveniles. Copyright (c) 2009 John Wiley & Sons, Ltd.

An experimental and theoretical study of the thermal decomposition of C 4H 6 isomers

DOE PAGES

Lockhart, James P. A.; Goldsmith, C. Franklin; Randazzo, John B.; ...

2017-04-25

The chemistry of small unsaturated hydrocarbons, such as 1,3–butadiene (1,3–C 4H 6), 1,2–butadiene (1,2–C 4H 6), 2–butyne (2–C 4H 6) and 1–butyne (1–C 4H 6), is of central importance to the modeling of combustion systems. These species are important intermediates in combustion processes, and yet their high-temperature chemistry remains poorly understood, with various dissociation and isomerization pathways proposed in the literature. Here we investigate the thermal decompositions of 1,3–C 4H 6, 1,2–C 4H 6, 2–C 4H 6 and 1–C 4H 6 inside a diaphragmless shock tube, at post shock total pressures of 26–261 Torr and temperatures ranging from 1428–2354 K,more » using laser schlieren densitometry. The experimental work has been complemented by high-level ab initio calculations, which collectively provide strong evidence that formally direct dissociation is the major channel for pyrolysis of 1,3–C 4H 6 and 2–C 4H 6; these paths have not been previously reported but are critical to reconciling the current work and disparate literature reports. The reaction mechanism presented here simulates the current experiments and experimental data from the literature very well. As a result, pressure and temperature dependent rate coefficients are given for the isomerization, formally direct and direct dissociation paths.« less

An experimental and theoretical study of the thermal decomposition of C 4H 6 isomers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lockhart, James P. A.; Goldsmith, C. Franklin; Randazzo, John B.

The chemistry of small unsaturated hydrocarbons, such as 1,3–butadiene (1,3–C 4H 6), 1,2–butadiene (1,2–C 4H 6), 2–butyne (2–C 4H 6) and 1–butyne (1–C 4H 6), is of central importance to the modeling of combustion systems. These species are important intermediates in combustion processes, and yet their high-temperature chemistry remains poorly understood, with various dissociation and isomerization pathways proposed in the literature. Here we investigate the thermal decompositions of 1,3–C 4H 6, 1,2–C 4H 6, 2–C 4H 6 and 1–C 4H 6 inside a diaphragmless shock tube, at post shock total pressures of 26–261 Torr and temperatures ranging from 1428–2354 K,more » using laser schlieren densitometry. The experimental work has been complemented by high-level ab initio calculations, which collectively provide strong evidence that formally direct dissociation is the major channel for pyrolysis of 1,3–C 4H 6 and 2–C 4H 6; these paths have not been previously reported but are critical to reconciling the current work and disparate literature reports. The reaction mechanism presented here simulates the current experiments and experimental data from the literature very well. As a result, pressure and temperature dependent rate coefficients are given for the isomerization, formally direct and direct dissociation paths.« less

A structural model of polyglutamine determined from a host-guest method combining experiments and landscape theory.

PubMed

Finke, John M; Cheung, Margaret S; Onuchic, José N

2004-09-01

Modeling the structure of natively disordered peptides has proved difficult due to the lack of structural information on these peptides. In this work, we use a novel application of the host-guest method, combining folding theory with experiments, to model the structure of natively disordered polyglutamine peptides. Initially, a minimalist molecular model (C(alpha)C(beta)) of CI2 is developed with a structurally based potential and captures many of the folding properties of CI2 determined from experiments. Next, polyglutamine "guest" inserts of increasing length are introduced into the CI2 "host" model and the polyglutamine is modeled to match the resultant change in CI2 thermodynamic stability between simulations and experiments. The polyglutamine model that best mimics the experimental changes in CI2 thermodynamic stability has 1), a beta-strand dihedral preference and 2), an attractive energy between polyglutamine atoms 0.75-times the attractive energy between the CI2 host Go-contacts. When free-energy differences in the CI2 host-guest system are correctly modeled at varying lengths of polyglutamine guest inserts, the kinetic folding rates and structural perturbation of these CI2 insert mutants are also correctly captured in simulations without any additional parameter adjustment. In agreement with experiments, the residues showing structural perturbation are located in the immediate vicinity of the loop insert. The simulated polyglutamine loop insert predominantly adopts extended random coil conformations, a structural model consistent with low resolution experimental methods. The agreement between simulation and experimental CI2 folding rates, CI2 structural perturbation, and polyglutamine insert structure show that this host-guest method can select a physically realistic model for inserted polyglutamine. If other amyloid peptides can be inserted into stable protein hosts and the stabilities of these host-guest mutants determined, this novel host-guest method may prove useful to determine structural preferences of these intractable but biologically relevant protein fragments.

Experimental investigation and computational modeling of hot filament diamond chemical vapor deposition

NASA Astrophysics Data System (ADS)

Zumbach, Volker; Schäfer, Jörg; Tobai, Jens; Ridder, Michael; Dreier, Thomas; Schaich, Thomas; Wolfrum, Jürgen; Ruf, Bernhard; Behrendt, Frank; Deutschman, Olaf; Warnatz, Jürgen

1997-10-01

A joint investigation has been undertaken of the gas-phase chemistry taking place in a hot-filament chemical vapor-deposition (HFCVD) process for diamond synthesis on silica surfaces by a detailed comparison of numerical modeling and experimental results. Molecular beam sampling using quadrupole mass spectroscopy and resonance-enhanced multiphoton ionization time of flight mass spectroscopy (REMPI-TOF-MS) has been used to determine absolute concentrations of stable hydrocarbons and radicals. Resulting species of a CH4/H2, a CH4/D2 (both 0.5%/99.5%) and a C2H2/H2 (0.25%/99.75%) feedgas mixture were investigated for varying filament and substrate temperatures. Spatially resolved temperature profiles at various substrate temperatures, obtained from coherent anti-Stokes Raman spectroscopy (CARS) of hydrogen, are used as input parameters for the numerical code to reproduce hydrogen atom, methyl radical, methane, acetylene, and ethylene concentration profiles in the boundary layer of the substrate. In addition, the concentration of vibrationally excited hydrogen is determined by CARS. Results reveal only qualitative agreement between measured data and simulations, concerning concentrations of stable species and radicals probed near the surface, on filament and substrate temperature dependence, respectively. Hydrogen and deuterium experiments show similar behaviour for all species. In the case of CH4 as feedgas the model describes measured concentration profiles of CH3, CH4, and C2H2 qualitatively well. Large differences between model and experiment occur for hydrogen atoms (factor of 2) and C2H4 (factor of 3). For acetylene as feedgas the model is not able to give any predictions because no conversion of C2H2 is seen in the model in contrast to the experiment.

Structure, Stability, and Thermochemistry of the Fullerene Derivatives C64X6 (X = H, F, Cl)

NASA Astrophysics Data System (ADS)

Xu, Lei; Shao, Xueguang; Cai, Wensheng

2009-09-01

The geometrical structures, electronic properties, and stabilities of the unconventional fullerene derivatives C64X6 (X = H, F, Cl) have been systematically studied by the first-principle calculations based on the density functional theory. The fullerene derivatives 1911(2)-C64X6 generated from the pineapple-shaped C64X4 are predicted to possess the lowest energies. The other two X atoms are added to the carbon atoms with the highest local strain assessed by the pyramidalization angles. The calculations of the nucleus-independent chemical shifts suggest that the aromaticity of C64X6 affects the stability order of the derivative isomers. To address why C64H6 was not observed in the experimental study of Wang et al. (J. Am. Chem. Soc. 2006, 128, 6605) and if the halogenated derivatives C64X6 (X = F, Cl) can be synthesized, thermochemical analysis of the reaction C64X4 + X2 → C64X6 was also performed. The results indicate that the formation of C64H6 and C64Cl6 is not favored at high temperatures. The former may be a reason why C64H6 was not found in the experiment. In sharp contrast, the Gibbs free energy change to form C64F6 is found to be -23.29 kcal/mol at 2000 K, suggesting that this compound may be formed and detected in experiments. The NMR and IR spectra of 1911(2)-C64F6 are sequentially calculated and presented to facilitate future experimental identification.

Evolution of sp{sup 2} networks with substrate temperature in amorphous carbon films: Experiment and theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gago, R.; Centro de Micro-Analisis de Materiales, Universidad Autonoma de Madrid, Campus de Cantoblanco, 28049 Madrid; Vinnichenko, M.

2005-07-01

The evolution of sp{sup 2} hybrids in amorphous carbon (a-C) films deposited at different substrate temperatures was studied experimentally and theoretically. The bonding structure of a-C films prepared by filtered cathodic vacuum arc was assessed by the combination of visible Raman spectroscopy, x-ray absorption, and spectroscopic ellipsometry, while a-C structures were generated by molecular-dynamics deposition simulations with the Brenner interatomic potential to determine theoretical sp{sup 2} site distributions. The experimental results show a transition from tetrahedral a-C (ta-C) to sp{sup 2}-rich structures at {approx}500 K. The sp{sup 2} hybrids are mainly arranged in chains or pairs whereas graphitic structures aremore » only promoted for sp{sup 2} fractions above 80%. The theoretical analysis confirms the preferred pairing of isolated sp{sup 2} sites in ta-C, the coalescence of sp{sup 2} clusters for medium sp{sup 2} fractions, and the pronounced formation of rings for sp{sup 2} fractions >80%. However, the dominance of sixfold rings is not reproduced theoretically, probably related to the functional form of the interatomic potential used.« less

The conversion of CO 2 to methanol on orthorhombic β-Mo 2C and Cu/β-Mo 2C catalysts: Mechanism for admetal induced change in the selectivity and activity

DOE PAGES

Posada-Pérez, Sergio; Ramírez, Pedro J.; Gutiérrez, Ramón A.; ...

2016-02-01

Here, the conversion of CO 2 into methanol catalyzed by β-Mo 2C and Cu/β-Mo 2C surfaces has been investigated by means of a combined experimental and theoretical study. Experiments have shown the direct activation and dissociation of the CO 2 molecule on bare β-Mo 2C, whereas on Cu/β-Mo 2C, CO 2 must be assisted by hydrogen for its conversion. Methane and CO are the main products on the clean surface and methanol production is lower. However, the deposition of Cu clusters avoids methane formation and increases methanol production even above that corresponding to a model of the technical catalyst. DFTmore » calculations on surface models of both possible C- and Mo-terminations corroborate the experimental observations. Calculations for the clean Mo-terminated surface reveal the existence of two possible routes for methane production (C + 4H → CH 4; CH 3O + 3H → CH 4 + H 2O) which are competitive with methanol synthesis, displaying slightly lower energy barriers. On the other hand, a model for Cu deposited clusters on the Mo-terminated surface points towards a new route for methanol and CO production avoiding methane formation. The new route is a direct consequence of the generation of a Mo 2C–Cu interface. The present experimental and theoretical results entail the interesting catalytic properties of Mo 2C as an active support of metallic nanoparticles, and also illustrate how the deposition of a metal can drastically change the activity and selectivity of a carbide substrate for CO 2 hydrogenation.« less

A sequential assignment procedure for proteins that have intermediate line widths in MAS NMR spectra: amyloid fibrils of human CA150.WW2.

PubMed

Becker, Johanna; Ferguson, Neil; Flinders, Jeremy; van Rossum, Barth-Jan; Fersht, Alan R; Oschkinat, Hartmut

2008-08-11

The second WW domain (WW2) of CA150, a human transcriptional activator, forms amyloid fibrils in vitro under physiological conditions. Based on experimental constraints from MAS NMR spectroscopy experiments, alanine scanning and electron microscopy, a structural model of CA150.WW2 amyloid fibrils was calculated earlier. Here, the assignment strategy is presented and suggested as a general approach for proteins that show intermediate line width. The (13)C,(13)C correlation experiments were recorded on fully or partially (13)C-labelled fibrils. The earlier (13)C assignment (26 residues) was extended to 34 of the 40 residues by direct (13)C-excitation experiments by using a deuterated sample that showed strongly improved line width. A 3D HNC-TEDOR (transferred-echo double-resonance) experiment with deuterated CA150.WW2 fibrils yielded 14 amide nitrogen and proton resonance assignments. The obtained chemical shifts were compared with the chemical shifts determined with the natively folded WW domain. TALOS (Torsion angle likelihood obtained from shift and sequence similarity) predictions confirmed that, under physiological conditions, the fibrillar form of CA150.WW2 adopts a significantly different beta structure than the native WW-domain fold.

REE Sorption Study of Sieved -50 +100 mesh Media #1 in Brine #1 with Different Starting pH's at 70C

DOE Data Explorer

Gary Garland

2015-07-21

This dataset described shaker table experiments ran with sieved -50 +100 mesh media #1 in brine #1 that have 2ppm each of the 7 REE metals at different starting pH's of 3.5, 4.5, and 5.5. The experimental conditions are 2g media to 150mL of REE solution, at 70C.

Experimental Investigation of Magnesium Powder Combustion With C02 for Mars Ascent Applications

NASA Technical Reports Server (NTRS)

Foote, John P.; Litchford, Ronald J.

2005-01-01

Combustion of metals with CO2 has been identified as a possible propellant for Mars ascent applications. CO2 could be condensed from the Martian atmosphere, reducing the amount of propellant that must be transported from Earth. An attractive feature of this approach compared to other in situ propellant concepts is that no chemical processing on Mars is required. Magnesium has been identified as the most promising metal for this application because it ignites and burns easily in CO2. Preliminary systems studies indicate a 2 to 1 delivered mass advantage for Mg ascent propulsion using in situ C02, as compared to a conventional storable propellant system. The Propulsion Research Center at MSFC is undertaking an experimental investigation of magnesium powder combustion with CO2 in order to provide fundamental data on the combustion performance of Mg powder + CO2 mixtures needed to assess the feasibility of developing a practical Mg powder + CO2 rocket engine. Initial combustion experiments will be carried out in a small scale atmospheric pressure dump combustor. Effects of varying the Mg particle size, firing rate and O/F ratio on combustion stability and efficiency will be investigated. The combustion process will be characterized by optical flame measurements and extraction of combustion product samples. The experimental facility is currently being prepared and combustion experiments will begin during the first quarter of 2005. The final paper will describe the test facility and initial experimental results.

Mass Accommodation and Chemical Reaction at Gas-Liquid Interfaces

NASA Astrophysics Data System (ADS)

Kolb, C. E.; Williams, L. R.; Jayne, J. T.; Worsnop, D. R.; Davidovits, P.

2006-12-01

The uptake of trace gases by liquid surfaces is an important process that initiates the heterogeneous chemistry of liquid aerosol particles and cloud droplets. We have recently reviewed the available experimental data for liquid aqueous and aqueous/organic surfaces (1). The review highlights some inconsistencies among experimental results and between experimental results and molecular dynamics simulations. Some of these inconsistencies will be evaluated and discussed in terms of the physics of liquid interfaces, the limitations of various experimental techniques and the disparate scales of laboratory experiments and current molecular simulations (1, 2). 1. Davidovits, P., Kolb, C. E., Williams, L. R., Jayne, J. T., Worsnop, D. R., 2006, Mass Accommodation and Chemical Reactions at Gas Liquid Interfaces, Chem. Rev. 106, 1323-1354. 2. Garrett, B. C., Schenter, G. K., Morita, A., 2006, Molecular Simulations of Molecules across the Liquid/Vapor Interface of Water, Chem. Rev. 106, 1355-1374.

The tracking analysis in the Q-weak experiment

NASA Astrophysics Data System (ADS)

Pan, J.; Androic, D.; Armstrong, D. S.; Asaturyan, A.; Averett, T.; Balewski, J.; Beaufait, J.; Beminiwattha, R. S.; Benesch, J.; Benmokhtar, F.; Birchall, J.; Carlini, R. D.; Cates, G. D.; Cornejo, J. C.; Covrig, S.; Dalton, M. M.; Davis, C. A.; Deconinck, W.; Diefenbach, J.; Dowd, J. F.; Dunne, J. A.; Dutta, D.; Duvall, W. S.; Elaasar, M.; Falk, W. R.; Finn, J. M.; Forest, T.; Gaskell, D.; Gericke, M. T. W.; Grames, J.; Gray, V. M.; Grimm, K.; Guo, F.; Hoskins, J. R.; Johnston, K.; Jones, D.; Jones, M.; Jones, R.; Kargiantoulakis, M.; King, P. M.; Korkmaz, E.; Kowalski, S.; Leacock, J.; Leckey, J.; Lee, A. R.; Lee, J. H.; Lee, L.; MacEwan, S.; Mack, D.; Magee, J. A.; Mahurin, R.; Mammei, J.; Martin, J. W.; McHugh, M. J.; Meekins, D.; Mei, J.; Michaels, R.; Micherdzinska, A.; Mkrtchyan, A.; Mkrtchyan, H.; Morgan, N.; Myers, K. E.; Narayan, A.; Ndukum, L. Z.; Nelyubin, V.; Nuruzzaman; van Oers, W. T. H.; Opper, A. K.; Page, S. A.; Pan, J.; Paschke, K. D.; Phillips, S. K.; Pitt, M. L.; Poelker, M.; Rajotte, J. F.; Ramsay, W. D.; Roche, J.; Sawatzky, B.; Seva, T.; Shabestari, M. H.; Silwal, R.; Simicevic, N.; Smith, G. R.; Solvignon, P.; Spayde, D. T.; Subedi, A.; Subedi, R.; Suleiman, R.; Tadevosyan, V.; Tobias, W. A.; Tvaskis, V.; Waidyawansa, B.; Wang, P.; Wells, S. P.; Wood, S. A.; Yang, S.; Young, R. D.; Zhamkochyan, S.

2016-12-01

The Q-weak experiment at Jefferson Laboratory measured the parity violating asymmetry ( A P V ) in elastic electron-proton scattering at small momentum transfer squared ( Q 2=0.025 ( G e V/ c)2), with the aim of extracting the proton's weak charge ({Q^p_W}) to an accuracy of 5 %. As one of the major uncertainty contribution sources to {Q^p_W}, Q 2 needs to be determined to ˜1 % so as to reach the proposed experimental precision. For this purpose, two sets of high resolution tracking chambers were employed in the experiment, to measure tracks before and after the magnetic spectrometer. Data collected by the tracking system were then reconstructed with dedicated software into individual electron trajectories for experimental kinematics determination. The Q-weak kinematics and the analysis scheme for tracking data are briefly described here. The sources that contribute to the uncertainty of Q 2 are discussed, and the current analysis status is reported.

Secure UNIX socket-based controlling system for high-throughput protein crystallography experiments.

PubMed

Gaponov, Yurii; Igarashi, Noriyuki; Hiraki, Masahiko; Sasajima, Kumiko; Matsugaki, Naohiro; Suzuki, Mamoru; Kosuge, Takashi; Wakatsuki, Soichi

2004-01-01

A control system for high-throughput protein crystallography experiments has been developed based on a multilevel secure (SSL v2/v3) UNIX socket under the Linux operating system. Main features of protein crystallography experiments (purification, crystallization, loop preparation, data collecting, data processing) are dealt with by the software. All information necessary to perform protein crystallography experiments is stored (except raw X-ray data, that are stored in Network File Server) in a relational database (MySQL). The system consists of several servers and clients. TCP/IP secure UNIX sockets with four predefined behaviors [(a) listening to a request followed by a reply, (b) sending a request and waiting for a reply, (c) listening to a broadcast message, and (d) sending a broadcast message] support communications between all servers and clients allowing one to control experiments, view data, edit experimental conditions and perform data processing remotely. The usage of the interface software is well suited for developing well organized control software with a hierarchical structure of different software units (Gaponov et al., 1998), which will pass and receive different types of information. All communication is divided into two parts: low and top levels. Large and complicated control tasks are split into several smaller ones, which can be processed by control clients independently. For communicating with experimental equipment (beamline optical elements, robots, and specialized experimental equipment etc.), the STARS server, developed at the Photon Factory, is used (Kosuge et al., 2002). The STARS server allows any application with an open socket to be connected with any other clients that control experimental equipment. Majority of the source code is written in C/C++. GUI modules of the system were built mainly using Glade user interface builder for GTK+ and Gnome under Red Hat Linux 7.1 operating system.

Modeling Oil Shale Pyrolysis: High-Temperature Unimolecular Decomposition Pathways for Thiophene.

PubMed

Vasiliou, AnGayle K; Hu, Hui; Cowell, Thomas W; Whitman, Jared C; Porterfield, Jessica; Parish, Carol A

2017-10-12

The thermal decomposition mechanism of thiophene has been investigated both experimentally and theoretically. Thermal decomposition experiments were done using a 1 mm × 3 cm pulsed silicon carbide microtubular reactor, C 4 H 4 S + Δ → Products. Unlike previous studies these experiments were able to identify the initial thiophene decomposition products. Thiophene was entrained in either Ar, Ne, or He carrier gas, passed through a heated (300-1700 K) SiC microtubular reactor (roughly ≤100 μs residence time), and exited into a vacuum chamber. The resultant molecular beam was probed by photoionization mass spectroscopy and IR spectroscopy. The pyrolysis mechanisms of thiophene were also investigated with the CBS-QB3 method using UB3LYP/6-311++G(2d,p) optimized geometries. In particular, these electronic structure methods were used to explore pathways for the formation of elemental sulfur as well as for the formation of H 2 S and 1,3-butadiyne. Thiophene was found to undergo unimolecular decomposition by five pathways: C 4 H 4 S → (1) S═C═CH 2 + HCCH, (2) CS + HCCCH 3 , (3) HCS + HCCCH 2 , (4) H 2 S + HCC-CCH, and (5) S + HCC-CH═CH 2 . The experimental and theoretical findings are in excellent agreement.

First principles investigations of the electronic structure and chemical bonding of U3Si2C2 - A uranium silicide-carbide with the rare [SiC] unit

NASA Astrophysics Data System (ADS)

Matar, S. F.; Pöttgen, R.

2012-10-01

The electronic structure of U3Si2C2, with the rare [SiC] unit is examined from ab initio with an assessment of the properties of chemical bonding. We show that plain GGA fails describing the experimental lattice parameters and the electronic structure. A better agreement with experiment (crystal determination and magnetic properties) is obtained with the GGA + U method and U = 4 eV. The energy-volume equation of state and the set of elastic constants are obtained showing incompressibility along the c-axis with U-C-Si alignment and a brittle material. Bonding of U1 and U2 selectively with Si and C and Si-C bonds are remarkable

Graphite to diamond transformation during sediment-peridotite interaction at 7.5 and 10.5 GPa

NASA Astrophysics Data System (ADS)

Girnis, A. V.; Brey, G. P.; Bulatov, V. K.; Höfer, H. E.; Woodland, A. B.

2018-06-01

Diamond nucleation and growth were investigated experimentally at 7.5 and 10.5 GPa and temperatures up to 1500 °C. Samples consisted of two layers: i) H2O- and CO2-bearing model sediment and ii) graphite-bearing garnet harzburgite comprising natural minerals. Two experimental series were conducted, one under a controlled temperature gradient with the sedimentary layer usually in the cold zone and the other under isothermal conditions. In the latter case, diamond seeds were added to the sedimentary mixture. During the experiments, the sedimentary layer partially or completely melted, with the melt percolating and interacting with the adjacent harzburgite. The graphite-to-diamond transition in the peridotite was observed above 1300 °C at 7.5 GPa and 1200 °C at 10.5 GPa in the temperature-gradient experiments, and at temperatures 100 °C lower in the isothermal experiments with diamond seeds. Newly formed diamond occurs mostly as individual grains up to 10 μm in size and is separate from graphite aggregates. In some cases, an association of diamond with magnesite was observed. Diamond nucleation occurs in hydrous and CO2-bearing silicate melt following graphite dissolution and recrystallization. In the case of the diamond-magnesite association, diamond was probably formed through carbonate reduction coupled with graphite oxidation. The composition of the melts ranged from "carbonatitic" with 10 wt% SiO2 and >50 wt% volatiles to hydrous silicate with 40 wt% SiO2 and <10 wt% volatiles. This variation has no strong effect on diamond nucleation or growth.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quennet, Marcel, E-mail: marcel.quennet@fu-berlin.de; Institut für Chemie und Biochemie, Freie Universität Berlin, Takustraße 3, 14195 Berlin; Ritscher, Anna

In this work the Cu/Zn order-disorder transition in Cu{sub 2}ZnSnS{sub 4} kesterites on Wyckoff positions 2c and 2d was investigated by a structural and electronic analysis in theory and experiment. For experimental investigations stoichiometric samples with different Cu/Zn order, annealed in the temperature range of 473–623 K and afterwards quenched, were used. The optical gaps were determined using the Derivation of Absorption Spectrum Fitting (DASF) method. Furthermore, the order-disorder transition was examined by DFT calculations for a closer analysis of the origins of the reduced band gap, showing a good agreement with experimental data with respect to structural and electronicmore » properties. Our studies show a slight increase of lattice parameter c in the kesterite lattice with increasing disorder. Additionally, a reduced band gap was observed with increasing disorder, which is an effect of newly occurring binding motifs in the disordered kesterite structure. - Highlights: • Experimental and theoretical investigation on the order-disorder transition in kesterites. • Slight enlargements of lattice constants due to disorder in experiment and theory. • Strong band gap fluctuations with decreasing order. • Electronic structure deviations due to changing binding motifs. • Disorder as possible main source of low open-circuit voltages.« less

C2 Fragmentation Energy of C60 Revisited: Theory Disagrees with Most Experiments

NASA Technical Reports Server (NTRS)

Boese, A. Daniel; Scuseria, Gustavo E.

1998-01-01

Following our earlier work on the subject, we have carried out density functional theory (DFT) and second-order Moller-Plesset perturbation theory (MP2) calculations of the dissociation energy of the reaction C60 yields C58 + C2 using polarized basis sets and geometries optimized with DFT methods. The present theoretical results support an electronic fragmentation energy D(sub e) around 10-11 eV in disagreement with most experimental results that place the dissociation energy D(sub o) (including zero point energy) around 7-8 eV. The plausible errors remaining in the theoretical calculations are unlikely to account for this big difference (2-4 eV).

Dissociative photoionization of isoprene: experiments and calculations.

PubMed

Liu, Xianyun; Zhang, Weijun; Wang, Zhenya; Huang, Mingqiang; Yang, Xibin; Tao, Ling; Sun, Yue; Xu, Yuntao; Shan, Xiaobin; Liu, Fuyi; Sheng, Liusi

2009-03-01

Vacuum ultraviolet (VUV) dissociative photoionization of isoprene in the energy region 8.5-18 eV was investigated with photoionization mass spectroscopy (PIMS) using synchrotron radiation (SR). The ionization energy (IE) of isoprene as well as the appearance energies (AEs) of its fragment ions C(5)H(7) (+), C(5)H(5) (+), C(4)H(5) (+), C(3)H(6) (+), C(3)H(5) (+), C(3)H(4) (+), C(3)H(3) (+) and C(2)H(3) (+) were determined with photoionization efficiency (PIE) curves. The dissociation energies of some possible dissociation channels to produce those fragment ions were also determined experimentally. The total energies of C(5)H(8) and its main fragments were calculated using the Gaussian 03 program and the Gaussian-2 method. The IE of C(5)H(8), the AEs for its fragment ions, and the dissociation energies to produce them were predicted using the high-accuracy energy model. According to our results, the experimental dissociation energies were in reasonable agreement with the calculated values of the proposed photodissociation channels of C(5)H(8). Copyright (c) 2009 John Wiley & Sons, Ltd.

Hypernuclear Spectroscopy at JLab Hall C

NASA Astrophysics Data System (ADS)

Hashimoto, O.; Chiba, A.; Doi, D.; Fujii, Y.; Gogami, T.; Kanda, H.; Kaneta, M.; Kawama, D.; Maeda, K.; Maruta, T.; Matsumura, A.; Nagao, S.; Nakamura, S. N.; Shichijo, A.; Tamura, H.; Taniya, N.; Yamamoto, T.; Yokota, K.; Kato, S.; Sato, Y.; Takahashi, T.; Noumi, H.; Motoba, T.; Hiyama, E.; Albayrak, I.; Ates, O.; Chen, C.; Christy, M.; Keppel, C.; Kohl, M.; Li, Y.; Liyanage, A.; Tang, L.; Walton, T.; Ye, Z.; Yuan, L.; Zhu, L.; Baturin, P.; Boeglin, W.; Dhamija, S.; Markowitz, P.; Raue, B.; Reinhold, J.; Hungerford, Ed. V.; Ent, R.; Fenker, H.; Gaskell, D.; Horn, T.; Jones, M.; Smith, G.; Vulcan, W.; Wood, S. A.; Johnston, C.; Simicevic, N.; Wells, S.; Samanta, C.; Hu, B.; Shen, J.; Wang, W.; Zhang, X.; Zhang, Y.; Feng, J.; Fu, Y.; Zhou, J.; Zhou, S.; Jiang, Y.; Lu, H.; Yan, X.; Ye, Y.; Gan, L.; Ahmidouch, A.; Danagoulian, S.; Gasparian, A.; Elaasar, M.; Wesselmann, F. R.; Asaturyan, A.; Margaryan, A.; Mkrtchyan, A.; Mkrtchyan, H.; Tadevosyan, V.; Androic, D.; Furic, M.; Petkovic, T.; Seva, T.; Niculescu, G.; Niculescu, I.; Rodriguez, V. M.; Cisbani, E.; Cusanno, F.; Garibaldi, F.; Uuciuoli, G. M.; De Leo, R.; Maronne, S.; Achenback, P.; Pochodzala, J.

2010-04-01

Since the 1st generation experiment, E89-009, which was successfully carried out as a pilot experiment of (e,e'K+) hypernuclear spectroscopy at JLab Hall C in 2000, precision hypernuclear spectroscopy by the (e,e'K+) reactions made considerable progress. It has evolved to the 2nd generation experiment, E01-011, in which a newly constructed high resolution kaon spectrometer (HKS) was installed and the "Tilt method" was adopted in order to suppress large electromagnetic background and to run with high luminosity. Preliminary high-resolution spectra of 7ΛHe and 28ΛAl together with that of 12ΛB that achieved resolution better than 500 keV(FWHM) were obtained. The third generation experiment, E05-115, has completed data taking with an experimental setup combining a new splitter magnet, high resolution electron spectrometer (HES) and the HKS used in the 2nd generation experiment. The data were accumulated with targets of 7Li, 9Be, 10B, 12C and 52Cr as well as with those of CH 2 and H 2O for calibration. The analysis is under way with particular emphasis of determining precision absolute hypernuclear masses. In this article, hypernuclear spectroscopy program in the wide mass range at JLab Hall C that has undergone three generation is described.

Experimentally Determined Phase Diagram for the Barium Sulfide-Copper(I) Sulfide System Above 873 K (600 °C)

NASA Astrophysics Data System (ADS)

Stinn, Caspar; Nose, Katsuhiro; Okabe, Toru; Allanore, Antoine

2017-12-01

The phase diagram of the barium sulfide-copper(I) sulfide system was investigated above 873 K (600 °C) using a custom-built differential thermal analysis (DTA) apparatus. The melting point of barium sulfide was determined utilizing a floating zone furnace. Four new compounds, Ba2Cu14S9, Ba2Cu2S3, Ba5Cu4S7, and Ba9Cu2S10, were identified through quench experiments analyzed with wavelength dispersive X-ray spectroscopy (WDS) and energy dispersive X-ray analysis (EDS). A miscibility gap was observed between 72 and 92 mol pct BaS using both DTA experiments and in situ melts observation in a floating zone furnace. A monotectic was observed at 94.5 mol pct BaS and 1288 K (1015 °C).

A role of nucleus accumbens dopamine receptors in the nucleus accumbens core, but not shell, in fear prediction error.

PubMed

Li, Susan S Y; McNally, Gavan P

2015-08-01

Two experiments used an associative blocking design to study the role of dopamine receptors in the nucleus accumbens shell (AcbSh) and core (AcbC) in fear prediction error. Rats in the experimental groups were trained to a visual fear-conditioned stimulus (conditional stimulus [CS]) A in Stage I, whereas rats in the control groups were not. In Stage II, all rats received compound fear conditioning of the visual CSA and an auditory CSB. Rats were later tested for their fear responses to CSB. All rats received microinjections of saline or the D1-D2 receptor antagonist cis-(z)-flupenthixol prior to Stage II. These microinjections targeted either the AcbSh (Experiment 1) or the AcbC (Experiment 2). In each experiment, Stage I fear conditioning of CSA blocked fear learning to CSB. Microinjection of cis-(z)-flupenthixol (10 or 20 μg) into the AcbSh (Experiment 1) had no effect on fear learning or associative blocking. In contrast, microinjection of cis-(z)-flupenthixol (10 or 20 μg) into the AcbC (Experiment 2) attenuated blocking and so enabled fear learning to CSB. These results identify the AcbC as the critical locus for dopamine receptor contributions to fear prediction error and the associative blocking of fear learning. (c) 2015 APA, all rights reserved).

Symmetry and structure of carbon-nitrogen complexes in gallium arsenide from infrared spectroscopy and first-principles calculations

NASA Astrophysics Data System (ADS)

Künneth, Christopher; Kölbl, Simon; Wagner, Hans Edwin; Häublein, Volker; Kersch, Alfred; Alt, Hans Christian

2018-04-01

Molecular-like carbon-nitrogen complexes in GaAs are investigated both experimentally and theoretically. Two characteristic high-frequency stretching modes at 1973 and 2060 cm-1, detected by Fourier transform infrared absorption (FTIR) spectroscopy, appear in carbon- and nitrogen-implanted and annealed layers. From isotopic substitution, it is deduced that the chemical composition of the underlying complexes is CN2 and C2N, respectively. Piezospectroscopic FTIR measurements reveal that both centers have tetragonal symmetry. For density functional theory (DFT) calculations, linear entities are substituted for the As anion, with the axis oriented along the 〈1 0 0 〉 direction, in accordance with the experimentally ascertained symmetry. The DFT calculations support the stability of linear N-C-N and C-C-N complexes in the GaAs host crystal in the charge states ranging from + 3 to -3. The valence bonds of the complexes are analyzed using molecular-like orbitals from DFT. It turns out that internal bonds and bonds to the lattice are essentially independent of the charge state. The calculated vibrational mode frequencies are close to the experimental values and reproduce precisely the isotopic mass splitting from FTIR experiments. Finally, the formation energies show that under thermodynamic equilibrium CN2 is more stable than C2N.

Bone-induced c-kit expression in prostate cancer: a driver of intraosseous tumor growth

PubMed Central

Mainetti, Leandro E.; Zhe, Xiaoning; Diedrich, Jonathan; Saliganan, Allen D.; Cho, Won Jin; Cher, Michael L.; Heath, Elisabeth; Fridman, Rafael; Kim, Hyeong-Reh Choi; Bonfil, R. Daniel

2014-01-01

Loss of BRCA2 function stimulates prostate cancer (PCa) cell invasion and is associated with more aggressive and metastatic tumors in PCa patients. Concurrently, the receptor tyrosine kinase c-kit is highly expressed in skeletal metastases of PCa patients and induced in PCa cells placed into the bone microenvironment in experimental models. However, the precise requirement of c-kit for intraosseous growth of PCa and its relation to BRCA2 expression remain unexplored. Here, we show that c-kit expression promotes migration and invasion of PCa cells. Alongside, we found that c-kit expression in PCa cells parallels BRCA2 downregulation. Gene rescue experiments with human BRCA2 transgene in c-kit-transfected PCa cells resulted in reduction of c-kit protein expression and migration and invasion, suggesting a functional significance of BRCA2 downregulation by c-kit. The inverse association between c-kit and BRCA2 gene expressions in PCa cells was confirmed using laser capture microdissection in experimental intraosseous tumors and bone metastases of PCa patients. Inhibition of bone-induced c-kit expression in PCa cells transduced with lentiviral short hairpin RNA reduced intraosseous tumor incidence and growth. Overall, our results provide evidence of a novel pathway that links bone-induced c-kit expression in PCa cells to BRCA2 downregulation and supports bone metastasis. PMID:24798488

Experimental investigation of the role of rock fabric in gas generation and expulsion during thermal maturation: Anhydrous closed-system pyrolysis of a bitumen-rich Eagle Ford Shale

USGS Publications Warehouse

Shao, Deyong; Ellis, Geoffrey S.; Li, Yanfang; Zhang, Tongwei

2018-01-01

Gold-tube pyrolysis experiments were conducted on miniature core plugs and powdered rock from a bitumen-rich sample of Eagle Ford Shale to investigate the role of rock fabric in gas generation and expulsion during thermal maturation. The samples were isothermally heated at 130, 300, 310, 333, 367, 400, and 425 °C for 72 h under a confining pressure of 68.0 MPa, corresponding to six levels of induced thermal maturity: pre-oil generation (130 °C/72 h), incipient oil/bitumen generation (300 and 310 °C/72 h), early oil generation (333 °C/72 h), peak oil generation (367 °C/72 h), early oil cracking (400 °C/72 h), and late oil cracking (425 °C/72 h). Experimental results show that gas retention coupled with compositional fractionation occurs in the core plug experiments and varies as a function of thermal maturity. During the incipient oil/bitumen generation stage, yields of methane through pentane (C1–C5) from core plugs are significantly lower than those from rock powder, and gases from core plugs are enriched in methane. However, the differences in C1–C5 gas yield and composition decrease throughout the oil generation stage, and by the oil cracking stage no obvious compositional difference in C1–C5 gases exists. The decrease in the effect of rock fabric on gas yield and composition with increasing maturity is the result of an increase in gas expulsion efficiency. Pyrolysis of rock powder yields 4–16 times more CO2 compared to miniature core plugs, with δ13CCO2 values ranging from −2.9‰ to −0.6‰, likely due to carbonate decomposition accelerated by reactions with organic acids. Furthermore, lower yields of gaseous alkenes and H2 from core plug experiments sugge

Compact toroid injection into C-2U

NASA Astrophysics Data System (ADS)

Roche, Thomas; Gota, H.; Garate, E.; Asai, T.; Matsumoto, T.; Sekiguchi, J.; Putvinski, S.; Allfrey, I.; Beall, M.; Cordero, M.; Granstedt, E.; Kinley, J.; Morehouse, M.; Sheftman, D.; Valentine, T.; Waggoner, W.; the TAE Team

2015-11-01

Sustainment of an advanced neutral beam-driven FRC for a period in excess of 5 ms is the primary goal of the C-2U machine at Tri Alpha Energy. In addition, a criteria for long-term global sustainment of any magnetically confined fusion reactor is particle refueling. To this end, a magnetized coaxial plasma-gun has been developed. Compact toroids (CT) are to be injected perpendicular to the axial magnetic field of C-2U. To simulate this environment, an experimental test-stand has been constructed. A transverse magnetic field of B ~ 1 kG is established (comparable to the C-2U axial field) and CTs are fired across it. As a minimal requirement, the CT must have energy density greater than that of the magnetic field it is to penetrate, i.e., 1/2 ρv2 >=B2 / 2μ0 . This criteria is easily met and indeed the CTs traverse the test-stand field. A preliminary experiment on C-2U shows the CT also capable of penetrating into FRC plasmas and refueling is observed resulting in a 20 - 30% increase in total particle number per single-pulsed CT injection. Results from test-stand and C-2U experiments will be presented.

Effects of Quality Composts and Other Organic Amendments and Their Humic and Fulvic Acid fractions on the Germination of Slickspot Peppergrass (Lepidium Papilliferum) and Switchgrass in Various Experimental Conditions

DTIC Science & Technology

2012-01-01

Figure 2. Effect of compost HAs at different concentrations on the number of germinated seeds of Shawnee switchgrass expressed as percentages of...and C/P20%) on the early growth of these switchgrass species. 2. Experimental 2.1. Germination N. 60 seeds of each switchgrass species were...the germination process. In this experiment, n. 60 seeds of each switchgrass species were previously soaked in distilled water for 12 h, successively

Fossil bryophytes as recorders of ancient CO2 levels: Experimental evidence and a Cretaceous case study

NASA Astrophysics Data System (ADS)

Fletcher, Benjamin J.; Beerling, David J.; Brentnall, Stuart J.; Royer, Dana L.

2005-09-01

Biological and geochemical CO2 proxies provide critical constraints on understanding the role of atmospheric CO2 in driving climate change during Earth history. As no single existing CO2 proxy is without its limitations, there is a clear need for new approaches to reconstructing past CO2 concentrations. Here we develop a new pre-Quaternary CO2 proxy based on the stable carbon isotope composition (δ13C) of astomatous land plants. In a series of CO2-controlled laboratory experiments, we show that the carbon isotope discrimination (Δ13C) of a range of bryophyte (liverwort and moss) species increases with atmospheric CO2 across the range 375 to 6000 ppm. Separate experiments establish that variations in growth temperature, water content and substrate type have minor impacts on the Δ13C of liverworts but not mosses, indicating the greater potential of liverworts to faithfully record past variations in CO2. A mechanistic model for calculating past CO2 concentrations from bryophyte Δ13C (White et al., 1994) is extended and calibrated using our experimental results. The potential for fossil liverworts to record past CO2 changes is investigated by analyzing the δ13C of specimens collected from Alexander Island, Antarctica dating to the "greenhouse" world of the mid-Cretaceous. Our analysis and isotopic model yield mid-Cretaceous CO2 concentrations of 1000-1400 ppm, in general agreement with independent proxy data and long-term carbon cycle models. The exceptionally long evolutionary history of bryophytes offers the possibility of reconstructing CO2 concentrations back to the mid-Ordovician, pre-dating all currently used quantitative CO2 proxies.

Phenyl radical + propene: a prototypical reaction surface for aromatic-catalyzed 1,2-hydrogen-migration and subsequent resonance-stabilized radical formation.

PubMed

Buras, Zachary J; Chu, Te-Chun; Jamal, Adeel; Yee, Nathan W; Middaugh, Joshua E; Green, William H

2018-05-16

The C9H11 potential energy surface (PES) was experimentally and theoretically explored because it is a relatively simple, prototypical alkylaromatic radical system. Although the C9H11 PES has already been extensively studied both experimentally (under single-collision and thermal conditions) and theoretically, new insights were made in this work by taking a new experimental approach: flash photolysis combined with time-resolved molecular beam mass spectrometry (MBMS) and visible laser absorbance. The C9H11 PES was experimentally accessed by photolytic generation of the phenyl radical and subsequent reaction with excess propene (C6H5 + C3H6). The overall kinetics of C6H5 + C3H6 was measured using laser absorbance with high time-resolution from 300 to 700 K and was found to be in agreement with earlier measurements over a lower temperature range. Five major product channels of C6H5 + C3H6 were observed with MBMS at 600 and 700 K, four of which were expected: hydrogen (H)-abstraction (measured by the stable benzene, C6H6, product), methyl radical (CH3)-loss (styrene detected), H-loss (phenylpropene isomers detected) and radical adduct stabilization. The fifth, unexpected product observed was the benzyl radical, which was rationalized by the inclusion of a previously unreported pathway on the C9H11 PES: aromatic-catalysed 1,2-H-migration and subsequent resonance stabilized radical (RSR, benzyl radical in this case) formation. The current theoretical understanding of the C9H11 PES was supported (including the aromatic-catalyzed pathway) by quantitative comparisons between modelled and experimental MBMS results. At 700 K, the branching to styrene + CH3 was 2-4 times greater than that of any other product channel, while benzyl radical + C2H4 from the aromatic-catalyzed pathway accounted for ∼10% of the branching. Single-collision conditions were also simulated on the updated PES to explain why previous crossed molecular beam experiments did not see evidence of the aromatic-catalyzed pathway. This experimentally validated knowledge of the C9H11 PES was added to the database of the open-source Reaction Mechanism Generator (RMG), which was then used to generalize the findings on the C9H11 PES to a slightly more complicated alkylaromatic system.

New experimental model for single liver lobe hyperthermia in small animals using non-directional microwaves.

PubMed

Tudorancea, Ionuț; Porumb, Vlad; Trandabăţ, Alexandru; Neaga, Decebal; Tamba, Bogdan; Iliescu, Radu; Dimofte, Gabriel M

2017-01-01

Our aim was to develop a new experimental model for in vivo hyperthermia using non-directional microwaves, applicable to small experimental animals. We present an affordable approach for targeted microwave heat delivery to an isolated liver lobe in rat, which allows rapid, precise and stable tissue temperature control. A new experimental model is proposed. We used a commercial available magnetron generating 2450 MHz, with 4.4V and 14A in the filament and 4500V anodic voltage. Modifications were required in order to adjust tissue heating such as to prevent overheating and to allow for fine adjustments according to real-time target temperature. The heating is controlled using a virtual instrument application implemented in LabView® and responds to 0.1° C variations in the target. Ten healthy adult male Wistar rats, weighing 250-270 g were used in this study. The middle liver lobe was the target for controlled heating, while the rest of the living animal was protected. In vivo microwave delivery using our experimental setting is safe for the animals. Target tissue temperature rises from 30°C to 40°C with 3.375°C / second (R2 = 0.9551), while the increment is lower it the next two intervals (40-42°C and 42-44°C) with 0.291°C/ s (R2 = 0.9337) and 0.136°C/ s (R2 = 0.7894) respectively, when testing in sequences. After reaching the desired temperature, controlled microwave delivery insures a very stable temperature during the experiments. We have developed an inexpensive and easy to manufacture system for targeted hyperthermia using non-directional microwave radiation. This system allows for fine and stable temperature adjustments within the target tissue and is ideal for experimental models testing below or above threshold hyperthermia.

New experimental model for single liver lobe hyperthermia in small animals using non-directional microwaves

PubMed Central

Iliescu, Radu; Dimofte, Gabriel M.

2017-01-01

Purpose Our aim was to develop a new experimental model for in vivo hyperthermia using non-directional microwaves, applicable to small experimental animals. We present an affordable approach for targeted microwave heat delivery to an isolated liver lobe in rat, which allows rapid, precise and stable tissue temperature control. Materials and methods A new experimental model is proposed. We used a commercial available magnetron generating 2450 MHz, with 4.4V and 14A in the filament and 4500V anodic voltage. Modifications were required in order to adjust tissue heating such as to prevent overheating and to allow for fine adjustments according to real-time target temperature. The heating is controlled using a virtual instrument application implemented in LabView® and responds to 0.1° C variations in the target. Ten healthy adult male Wistar rats, weighing 250–270 g were used in this study. The middle liver lobe was the target for controlled heating, while the rest of the living animal was protected. Results In vivo microwave delivery using our experimental setting is safe for the animals. Target tissue temperature rises from 30°C to 40°C with 3.375°C / second (R2 = 0.9551), while the increment is lower it the next two intervals (40–42°C and 42–44°C) with 0.291°C/ s (R2 = 0.9337) and 0.136°C/ s (R2 = 0.7894) respectively, when testing in sequences. After reaching the desired temperature, controlled microwave delivery insures a very stable temperature during the experiments. Conclusions We have developed an inexpensive and easy to manufacture system for targeted hyperthermia using non-directional microwave radiation. This system allows for fine and stable temperature adjustments within the target tissue and is ideal for experimental models testing below or above threshold hyperthermia PMID:28934251

Growth of polyphenyls via ion-molecule reactions: An experimental and theoretical mechanistic study

NASA Astrophysics Data System (ADS)

Aysina, Julia; Maranzana, Andrea; Tonachini, Glauco; Tosi, Paolo; Ascenzi, Daniela

2013-05-01

The reactivity of biphenylium cations C12H9+ with benzene C6H6 is investigated in a joint experimental and theoretical approach. Experiments are performed by using a triple quadruple mass spectrometer equipped with an atmospheric pressure chemical ion source to generate C12H9+ via dissociative ionization of various isomers of the neutral precursor hydroxybiphenyl (C12H10O). C-C coupling reactions leading to hydrocarbon growth are observed. The most abundant ionic products are C18H15+, C18H13+, C17H12+, and C8H7+. The dependence of product ion yields on the kinetic energy of reagent ions, as well as further experiments performed using partial isotopic labelling of reagents, support the idea that the reaction proceeds via a long lived association product, presumably the covalently bound protonated terphenyl C18H15+. Its formation is found to be exothermic and barrierless and, therefore, might occur under the low pressure and temperature conditions typical of planetary atmospheres and the interstellar medium. Theoretical calculations have focussed on the channel leading to C8H7+ plus C10H8, identifying, as the most probable fragments, the phenylethen-1-ylium cation and naphthalene, thus suggesting that the pathway leading to them might be of particular interest for the synthesis of polycyclic aromatic hydrocarbons. Both experiments and theory agree in finding this channel exoergic but hampered by small barriers of 2.7 and 3.7 kcal mol-1 on the singlet potential energy surface.

An experimental investigation of Na incorporation in cordierite in low P/high T metapelites

NASA Astrophysics Data System (ADS)

Tropper, Peter; Wyhlidal, Stefan; Haefeker, Udo A.; Mirwald, Peter W.

2018-04-01

The aim of this experimental study was to investigate the incorporation of Na in cordierite in metapelites as a function of temperature and pressure using natural quartzphyllite rocks as starting materials. The experiments were performed in a hydrothermal apparatus as well as a piston-cylinder apparatus with two natural quartzphyllite samples, which represent the protolith rocks of the hornfelses from the Brixen Granite contact aureole near Franzensfeste. Sample W shows high muscovite contents (57 wt%) and only accessory plagioclase while sample SP5 has high plagioclase (16 wt%) and lower muscovite contents (20 vol%). The experiments were done dry at pressures of 0.15, 0.3 and 0.6 GPa in a temperature range of 550 °C to 780 °C. The Na content of the newly formed cordierites shows a systematic variation and decreases linearly with increasing temperatures and no influence of pressure and melting on the Na contents of cordierite was observed. The experiments also show that the difference in mineral assemblage considerably shifts the obtained Na contents of cordierite. The P-independent temperature correlations for both sets of experiments can be described with the linear relationships: T (°C) = (Na [apfu] - 0.4052)/(-0.000487); R2 = 0.96; (±20 °C, calibration W) and T (°C) = (Na [apfu] - 0.3671)/(-0.000383); R2 = 0.94; (±15 °C, calibration SP5). The difference between the two temperatures is large and the SP5 experiments yield temperatures that are up to 100 °C higher. This is not unexpected since theoretical phase relations in the system NMASH predict different Na contents depending on the buffering assemblage (plagioclase vs. paragonite). On the other hand these T differences could also reflect disequilibrium behaviour in the SP5 experiments. Detailed micro-Raman spectroscopic investigations reveal that cordierites from both experiments show disordered structures but the SP5 experiments show a much higher degree of Si-Al disorder and the elevated Na contents could reflect this disequilibrium behaviour. Preliminary geothermometric calculations using the data from the W experiments are in very good agreement with T estimates from conventional geothermometry in metapelitic contact aureoles as well as high-grade migmatic gneisses from the literature.

Experimental evidence for a transverse magnetization of the Abrikosov lattice in anisotropic superconductors

NASA Technical Reports Server (NTRS)

Farrel, D. E.; Williams, C. M.; Wolf, S. A.; Bansal, N. P.; Kogan, V. G.

1988-01-01

The torque on a superconductor in a magnetic field H has been thought to be dominated by trapped flux or sample shape effects, but it has recently been suggested that an anisotropic type-II material should experience an intrinsic torque for H(c1) much less than H, which in turn is less than H(c2). The predicted phenomenon results from transverse magnetization of the Abrikosov lattice. Measurements are presented on copper-oxide superconductors which delineate the experimental regime in which extrinsic effects are negligible and confirm the existence of the predicted intrinsic torque.

AUTOBA: automation of backbone assignment from HN(C)N suite of experiments.

PubMed

Borkar, Aditi; Kumar, Dinesh; Hosur, Ramakrishna V

2011-07-01

Development of efficient strategies and automation represent important milestones of progress in rapid structure determination efforts in proteomics research. In this context, we present here an efficient algorithm named as AUTOBA (Automatic Backbone Assignment) designed to automate the assignment protocol based on HN(C)N suite of experiments. Depending upon the spectral dispersion, the user can record 2D or 3D versions of the experiments for assignment. The algorithm uses as inputs: (i) protein primary sequence and (ii) peak-lists from user defined HN(C)N suite of experiments. In the end, one gets H(N), (15)N, C(α) and C' assignments (in common BMRB format) for the individual residues along the polypeptide chain. The success of the algorithm has been demonstrated, not only with experimental spectra recorded on two small globular proteins: ubiquitin (76 aa) and M-crystallin (85 aa), but also with simulated spectra of 27 other proteins using assignment data from the BMRB.

LANL C10.2 Projects in FY13

DOE Office of Scientific and Technical Information (OSTI.GOV)

Batha, Steven H.; Fincke, James R.; Schmitt, Mark J.

2012-06-07

LANL has two projects in C10.2: Defect-Induced Mix Experiment (DIME) (ongoing, several runs at Omega; NIF shots this summer); and Shock/Shear (tested at Omega for two years; NIF shots in second half of FY13). Each project is jointly funded by C10.2, other C10 MTEs, and Science Campaigns. DIME is investigating 4{pi} and feature-induced mix in spherically convergent ICF implosions by using imaging of the mix layer. DIME prepared for NIF by demonstrating its PDD mix platform on Omega including imaging mid-Z doped layers and defects. DIME in FY13 will focus on PDD symmetry-dependent mix and moving burn into the mixmore » region for validation of mix/burn models. Re-Shock and Shear are two laser-driven experiments designed to study the turbulent mixing of materials. In FY-2012 43 shear and re-shock experimental shots were executed on the OMEGA laser and a complete time history obtained for both. The FY-2013 goal is to transition the experiment to NIF where the larger scale will provide a longer time period for mix layer growth.« less

The Effects of Stoichiometry on the Mechanical Properties of Icosahedral Boron Carbide Under Loading

DTIC Science & Technology

2012-11-19

ranging from 10% to 20% C using glancing incidence x - ray diffraction and similar experimental studies of structure as a function of stoichiometry were...blue) positions. it has been suggested that x - ray diffraction analysis of a series of boron-rich materials indicates a distinct change in the c lattice...Angstroms, angles in degrees, volume in cubic Angstroms). Structure Formula % C a b c α β γ Volume Experiment37 B5.6C 15.2 5.19 5.19 5.19 65.18 65.18

The Processes of Scientific Discovery: The Strategy of Experimentation

DTIC Science & Technology

1987-09-29

RPT C3 : C U.SERS 22a NAME OF RESPONSIBLE INDIVIDUAL 22b TELEPHONE (include Area Code) 22C. OFFICR SYMBOL jr. Alan L. Mevrowitz (202) 696-430?2NOQ001...34omithine may donate an amino group to urea", (4) its description is given at the atomic level (Example: " C in urea comes from carbon-dioxide"). These...reactant, and there is a hypothesis that A produces C with B as an intermediate product, then carry out experiments on A and 8, and compare rates of

Experimental investigation on V isotope equilibrium fractionation factor between metal and silicate melt

NASA Astrophysics Data System (ADS)

Zhang, S.; Zhang, H.; Huang, F.

2017-12-01

Equilibrium fractionation factors of stable isotopes between metal and silicate melt are of vital importance for understanding the isotope variations within meteorites and planetary bodies. The V isotope composition (reported as δ51V = 1000 × [(51V/50Vsample/51V/50VAA)-1] ) of the bulk silicate Earth (BSE) has been estimated as δ51V = -0.7 ± 0.2‰ (2sd) [1], which is significantly heavier than most meteorites by 1‰ [2]. Such isotopic offset may provide insights for the core formation and core-mantle segregation. Therefore, it is important to understand V isotope equilibrium fractionation factor between silicate melt and metal. Nielsen et al. (2014) [2] had performed 3 experiments using starting materials of pure Fe metal and An50Di28Fo22 composition, revealing no resolvable V isotope fractionation. However, it is not clear whether chemical compositions in the melts can affect V isotope fractionations. Therefore, we experimentally calibrated equilibrium V isotope fractionation between Fe metallic and basaltic melt, with particular focus on the effect of Ni and other light elements. Experiments were performed at 1 GPa and 1600 oC using a 3/4″ end-loaded piston cylinder. The starting materials consisted of 1:1 mixture of pure Fe metal and basaltic composition [3]. The isotope equilibrium was assessed using time series experiments combined with the reverse reaction method. Carbon saturation and C-free experiments were achieved by using graphite and silica capsules, respectively. The Ni series experiments were doped with 6 wt% Ni into the starting Fe metal. The metal and silicate phases of samples were mechanically separated, V was purified using a chromatographic technique, and V isotope ratios were measured using MC-ICP-MS [4]. Carbon saturation, C-free experiments and Ni series experiment all show non-resolvable V isotope fractionation between metal and basaltic melt, which indicates that the presence of C and Ni could not affect V isotope fractionation during core formation. More experiments will be performed to explore the effect of Si and S in the metal on V isotope fractionation between metal and silicate melt.References: [1] Prytulak et al. (2013) EPSL 365, 177-189 [2] Nielsen et al. (2014) EPSL 389, 167-175 [3] Cottrell et al. (2009) CG 268, 167-179 [4] Wu et al. (2016) CG 421, 17-25

Soil organic carbon redistribution by water erosion: An experimental rainfall simulation approach

NASA Astrophysics Data System (ADS)

Wang, Xiang; Cammeraat, Erik; Romeijn, Paul; Kalbitz, Karsten

2014-05-01

Water erosion influences the redistribution of soil organic carbon (SOC) in landscapes and there is a strong need to better understand these processes with respect to the carbon (C) budget, from local to global scales. We present a study in which the total carbon budget of a loess soil under erosion was determined in an experimental set-up. We measured fluxes of SOC, dissolved organic C (DOC) and CO2 in a climate controlled pseudo-replicated rainfall-simulation laboratory experiment. This approach has been rarely followed to integrate all components of the C budget in one experiment. We characterized different C fractions in soils and redistributed sediments using density fractionation and determined C enrichment ratios (CER) in the transported sediments. Erosion, transport and subsequent deposition resulted in a significantly higher CER of the sediments exported ranging between 1.3 and 4.0. In the exported sediments, C contents (mg per g soil) of particulate organic C (POC, C not bound to soil minerals) and mineral-associated organic C (MOC) were both significantly higher than those of non-eroded soils indicating that water erosion resulted in losses of C-enriched material both in forms of POC and MOC. The averaged SOC fluxes as particles (4.7 g C m-2 yr-1) were 18 times larger than DOC fluxes. Cumulative emission of soil CO2 slightly decreased at the erosion zone while increased by 27% at the deposition zone in comparison to non-eroded soils. Overall, CO2 emission was the predominant form of C loss contributing to about 90.5% of total erosion-induced C losses in our 4-month experiment. However, only 1.5 % of redistributed C was mineralized highlighting that the C sink induced by deposition is much larger than previously assumed. Our study also underlines the importance of C losses by particles and as DOC for understanding effects of water erosion on the C balance at the interface of terrestrial and aquatic systems. Furthermore our study revealed that the sediment and C fluxes showed good correspondence with values obtained in real landscapes as reported in literature. This confirms that a lab-approach, despite its shortcomings with respect to scale, is valuable and gives additional information on processes affecting the soil carbon budget. This is urgently needed and improves our knowledge on the fate of SOC in erosion-depositional systems.

C=C bond cleavage on neutral VO3(V2O5)n clusters.

PubMed

Dong, Feng; Heinbuch, Scott; Xie, Yan; Bernstein, Elliot R; Rocca, Jorge J; Wang, Zhe-Chen; Ding, Xun-Lei; He, Sheng-Gui

2009-01-28

The reactions of neutral vanadium oxide clusters with alkenes (ethylene, propylene, 1-butene, and 1,3-butadiene) are investigated by experiments and density function theory (DFT) calculations. Single photon ionization through extreme ultraviolet radiation (EUV, 46.9 nm, 26.5 eV) is used to detect neutral cluster distributions and reaction products. In the experiments, we observe products (V(2)O(5))(n)VO(2)CH(2), (V(2)O(5))(n)VO(2)C(2)H(4), (V(2)O(5))(n)VO(2)C(3)H(4), and (V(2)O(5))(n)VO(2)C(3)H(6), for neural V(m)O(n) clusters in reactions with C(2)H(4), C(3)H(6), C(4)H(6), and C(4)H(8), respectively. The observation of these products indicates that the C=C bonds of alkenes can be broken on neutral oxygen rich vanadium oxide clusters with the general structure VO(3)(V(2)O(5))(n=0,1,2...). DFT calculations demonstrate that the reaction VO(3) + C(3)H(6) --> VO(2)C(2)H(4) + H(2)CO is thermodynamically favorable and overall barrierless at room temperature. They also provide a mechanistic explanation for the general reaction in which the C=C double bond of alkenes is broken on VO(3)(V(2)O(5))(n=0,1,2...) clusters. A catalytic cycle for alkene oxidation on vanadium oxide is suggested based on our experimental and theoretical investigations. The reactions of V(m)O(n) with C(6)H(6) and C(2)F(4) are also investigated by experiments. The products VO(2)(V(2)O(5))(n)C(6)H(4) are observed for dehydration reactions between V(m)O(n) clusters and C(6)H(6). No product is detected for V(m)O(n) clusters reacting with C(2)F(4). The mechanisms of the reactions between VO(3) and C(2)F(4)/C(6)H(6) are also investigated by calculations at the B3LYP/TZVP level.

Motion and positional error correction for cone beam 3D-reconstruction with mobile C-arms.

PubMed

Bodensteiner, C; Darolti, C; Schumacher, H; Matthäus, L; Schweikard, A

2007-01-01

CT-images acquired by mobile C-arm devices can contain artefacts caused by positioning errors. We propose a data driven method based on iterative 3D-reconstruction and 2D/3D-registration to correct projection data inconsistencies. With a 2D/3D-registration algorithm, transformations are computed to align the acquired projection images to a previously reconstructed volume. In an iterative procedure, the reconstruction algorithm uses the results of the registration step. This algorithm also reduces small motion artefacts within 3D-reconstructions. Experiments with simulated projections from real patient data show the feasibility of the proposed method. In addition, experiments with real projection data acquired with an experimental robotised C-arm device have been performed with promising results.

Experimental subsolidus phase relations in the system CaCO3-CaMg(CO3)2 up to 6.5 GPa and implications for subducted marbles

NASA Astrophysics Data System (ADS)

Hermann, Jörg; Troitzsch, Ulrike; Scott, Dean

2016-10-01

The dissociation of dolomite to aragonite + magnesite and the reaction of dolomite + aragonite to Mg-calcite have been experimentally determined by piston cylinder experiments in the range of 650-1000 °C and 2-6.5 GPa. Friction decay within the salt sleeves used as pressure medium was monitored by continuously logging the travel distance of the piston. Piston movement ceased after the first 24 h of the experiment, and all experiments were kept at the steady-state conditions for an additional 24-196 h. The reaction of dolomite to aragonite + magnesite has a positive slope and has been bracketed at 650 °C between 5.1 and 5.8 GPa and at 750 °C between 5.7 and 6.5 GPa. The reaction is sluggish with a 0.6-GPa interval where all three phases coexist. The reaction dolomite + aragonite to Mg-calcite has been determined in 0.5-GPa intervals from 660 °C at 2 GPa to 940 °C at 6.5 GPa. The composition of Mg-calcite at the reaction curve is buffered and changes systematically from X(Ca) of 0.90 at 2 GPa to 0.57 at 6.5 GPa. The solvus between dolomite and Mg-calcite shrinks slightly with increasing pressure, providing evidence for a small negative slope of the critical curve dolomite = Mg-calcite. The degree of disorder in dolomite has been determined in some of the retrieved samples by Rietveld refinement based on X-ray diffraction patterns. The order parameter S decreases gradually from 1 to 0.7 as a function of temperature as the critical curve is approached and then drops dramatically after crossing it. No ordering on quench has been observed. The experimental results permit the construction of a petrogenetic grid for the system dolomite, aragonite, Mg-calcite, and magnesite, which has an invariant point at ~7.5 GPa and 980 °C, representing the maximum pressure stability of dolomite. X(Ca) isopleths of Mg-calcite coexisting with dolomite serve mainly as a thermometer, whereas in the presence of aragonite they are a useful barometer. The experimental results have been applied to diamond-bearing marbles of the Kokchetav Massif, where Mg-calcite inclusions in garnet and zircon with X(Ca) of 0.76 most likely formed during prograde metamorphism close to the graphite-diamond transition.

Mechanism of Electromagnetic Energy Effects of the Nervous System. Experimental System and Preliminary Results.

DTIC Science & Technology

1982-07-01

17 * 7 Expulsion of pipette by cell... 17 8 Effects of curare on cell studied 27 June 1980 ... 18 9 Pipette experiment, 18 July 1980 ... 27 10...Response of cell studied 18 August 1980 to sudden dc shift... 29 3 3 FIGURES (cont’d) C-Ia-c Baseline period of cell studied 18 June 1980 ... page 49 C-2a-c...Exposure period of cell studied 18 June 1980 ... 50 C-3a-c Post-exposure period of cell studied 18 June 1980 ... 51 C-4a-d Baseline, first exposure

Incongruence Between Observers’ and Observed Facial Muscle Activation Reduces Recognition of Emotional Facial Expressions From Video Stimuli

PubMed Central

Wingenbach, Tanja S. H.; Brosnan, Mark; Pfaltz, Monique C.; Plichta, Michael M.; Ashwin, Chris

2018-01-01

According to embodied cognition accounts, viewing others’ facial emotion can elicit the respective emotion representation in observers which entails simulations of sensory, motor, and contextual experiences. In line with that, published research found viewing others’ facial emotion to elicit automatic matched facial muscle activation, which was further found to facilitate emotion recognition. Perhaps making congruent facial muscle activity explicit produces an even greater recognition advantage. If there is conflicting sensory information, i.e., incongruent facial muscle activity, this might impede recognition. The effects of actively manipulating facial muscle activity on facial emotion recognition from videos were investigated across three experimental conditions: (a) explicit imitation of viewed facial emotional expressions (stimulus-congruent condition), (b) pen-holding with the lips (stimulus-incongruent condition), and (c) passive viewing (control condition). It was hypothesised that (1) experimental condition (a) and (b) result in greater facial muscle activity than (c), (2) experimental condition (a) increases emotion recognition accuracy from others’ faces compared to (c), (3) experimental condition (b) lowers recognition accuracy for expressions with a salient facial feature in the lower, but not the upper face area, compared to (c). Participants (42 males, 42 females) underwent a facial emotion recognition experiment (ADFES-BIV) while electromyography (EMG) was recorded from five facial muscle sites. The experimental conditions’ order was counter-balanced. Pen-holding caused stimulus-incongruent facial muscle activity for expressions with facial feature saliency in the lower face region, which reduced recognition of lower face region emotions. Explicit imitation caused stimulus-congruent facial muscle activity without modulating recognition. Methodological implications are discussed. PMID:29928240

Incongruence Between Observers' and Observed Facial Muscle Activation Reduces Recognition of Emotional Facial Expressions From Video Stimuli.

PubMed

Wingenbach, Tanja S H; Brosnan, Mark; Pfaltz, Monique C; Plichta, Michael M; Ashwin, Chris

2018-01-01

According to embodied cognition accounts, viewing others' facial emotion can elicit the respective emotion representation in observers which entails simulations of sensory, motor, and contextual experiences. In line with that, published research found viewing others' facial emotion to elicit automatic matched facial muscle activation, which was further found to facilitate emotion recognition. Perhaps making congruent facial muscle activity explicit produces an even greater recognition advantage. If there is conflicting sensory information, i.e., incongruent facial muscle activity, this might impede recognition. The effects of actively manipulating facial muscle activity on facial emotion recognition from videos were investigated across three experimental conditions: (a) explicit imitation of viewed facial emotional expressions (stimulus-congruent condition), (b) pen-holding with the lips (stimulus-incongruent condition), and (c) passive viewing (control condition). It was hypothesised that (1) experimental condition (a) and (b) result in greater facial muscle activity than (c), (2) experimental condition (a) increases emotion recognition accuracy from others' faces compared to (c), (3) experimental condition (b) lowers recognition accuracy for expressions with a salient facial feature in the lower, but not the upper face area, compared to (c). Participants (42 males, 42 females) underwent a facial emotion recognition experiment (ADFES-BIV) while electromyography (EMG) was recorded from five facial muscle sites. The experimental conditions' order was counter-balanced. Pen-holding caused stimulus-incongruent facial muscle activity for expressions with facial feature saliency in the lower face region, which reduced recognition of lower face region emotions. Explicit imitation caused stimulus-congruent facial muscle activity without modulating recognition. Methodological implications are discussed.

The tracking analysis in the Q-weak experiment

DOE PAGES

Pan, J.; Androic, D.; Armstrong, D. S.; ...

2016-11-21

Here, the Q-weak experiment at Jefferson Laboratory measured the parity violating asymmetry (Amore » $$_{PV}$$ ) in elastic electron-proton scattering at small momentum transfer squared (Q$$^{2}$$=0.025 (G e V/c)$$^{2}$$), with the aim of extracting the proton’s weak charge ( $${Q^p_W}$$ ) to an accuracy of 5 %. As one of the major uncertainty contribution sources to $${Q^p_W}$$ , Q$$^{2}$$ needs to be determined to ~1 % so as to reach the proposed experimental precision. For this purpose, two sets of high resolution tracking chambers were employed in the experiment, to measure tracks before and after the magnetic spectrometer. Data collected by the tracking system were then reconstructed with dedicated software into individual electron trajectories for experimental kinematics determination. The Q-weak kinematics and the analysis scheme for tracking data are briefly described here. The sources that contribute to the uncertainty of Q$$^{2}$$ are discussed, and the current analysis status is reported.« less

Experimental Study of Autoignition Characteristics of Ethanol-Methylcellulose Gel Droplet

NASA Astrophysics Data System (ADS)

Lee, Donggi; Won, Jonghan; Baek, Seung Wook

2017-12-01

In present study, the autoignition of ethanol based gel propellant, which used methylcellulose as a gellant, has been investigated experimentally. The content of gellant is 9 wt%. The initial droplet diameter range of ethanol gel droplet was 2.5±0.3 mm, and suspended on 0.335 mm quartz fiber. The experiment was conducted at 500, 600, and 700°C under atmospheric pressure, considering that the autoignition temperature of ethanol is 365°C. High speed camera was used for analysis with 100 images per second. General combustion behavior of gel droplet were observed such as swelling, micro explosion, and vapor jetting. It was confirmed that ignition did not occur at 500°C. At 600°C and 700°C, it had short lifetime, and the size of the droplet decreased linearly.

Adaptation to fluctuations in temperature by nine species of bacteria.

PubMed

Saarinen, Kati; Laakso, Jouni; Lindström, Leena; Ketola, Tarmo

2018-03-01

Rapid environmental fluctuations are ubiquitous in the wild, yet majority of experimental studies mostly consider effects of slow fluctuations on organism. To test the evolutionary consequences of fast fluctuations, we conducted nine independent experimental evolution experiments with bacteria. Experimental conditions were same for all species, and we allowed them to evolve either in fluctuating temperature alternating rapidly between 20°C and 40°C or at constant 30°C temperature. After experimental evolution, we tested the performance of the clones in both rapid fluctuation and in constant environments (20°C, 30°C and 40°C). Results from experiments on these nine species were combined meta-analytically. We found that overall the clones evolved in the fluctuating environment had evolved better efficiency in tolerating fluctuations (i.e., they had higher yield in fluctuating conditions) than the clones evolved in the constant environment. However, we did not find any evidence that fluctuation-adapted clones would have evolved better tolerance to any measured constant environments (20°C, 30°C, and 40°C). Our results back up recent empirical findings reporting that it is hard to predict adaptations to fast fluctuations using tolerance curves.

Nitrous oxide production during nitrification from organic solid waste under temperature and oxygen conditions.

PubMed

Nag, Mitali; Shimaoka, Takayuki; Komiya, Teppei

2016-11-01

Landfill aeration can accelerate the biological degradation of organic waste and reduce methane production; however, it induces nitrous oxide (N2O), a potent greenhouse gas. Nitrification is one of the pathways of N2O generation as a by-product during aerobic condition. This study was initiated to demonstrate the features of N2O production rate from organic solid waste during nitrification under three different temperatures (20°C, 30°C, and 40°C) and three oxygen concentrations (5%, 10%, and 20%) with high moisture content and high substrates' concentration. The experiment was carried out by batch experiment using Erlenmeyer flasks incubated in a shaking water bath for 72 h. A duplicate experiment was carried out in parallel, with addition of 100 Pa of acetylene as a nitrification inhibitor, to investigate nitrifiers' contribution to N2O production. The production rate of N2O ranged between 0.40 × 10(-3) and 1.14 × 10(-3) mg N/g-DM/h under the experimental conditions of this study. The rate of N2O production at 40°C was higher than at 20°C and 30°C. Nitrification was found to be the dominant pathway of N2O production. It was evaluated that optimization of O2 content is one of the crucial parameters in N2O production that may help to minimize greenhouse gas emissions and N turnover during aeration.

Proton-detected 3D {sup 1}H/{sup 13}C/{sup 1}H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Rongchun; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu; Nishiyama, Yusuke

2015-10-28

A proton-detected 3D {sup 1}H/{sup 13}C/{sup 1}H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of {sup 13}C-{sup 1}H connectivities, and proximities of {sup 13}C-{sup 1}H and {sup 1}H-{sup 1}H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including {sup 1}H-{sup 1}H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protonsmore » and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) {sup 1}H/{sup 1}H and 2D {sup 13}C/{sup 1}H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of {sup 1}H-{sup 1}H proximity and {sup 13}C-{sup 1}H connectivity. In addition, the 2D (F1/F2) {sup 1}H/{sup 13}C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of {sup 1}H-{sup 1}H dipolar couplings, enables the measurement of proximities between {sup 13}C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of {sup 1}H-{sup 1}H-{sup 13}C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ⋅ H{sub 2}O ⋅ HCl demonstrate the efficiency of the 3D experiment.« less

Synthesis of hydrocarbons by CO2 fluid conversion with hydrogen: Experimental modeling at 7.8 GPa and 1350°C

NASA Astrophysics Data System (ADS)

Sokol, A. G.; Tomilenko, A. A.; Bul'bak, T. A.; Sobolev, N. V.

2017-12-01

Synthesis of hydrocarbons by the interaction of a CO2 fluid with hydrogen mantle domains has been simulated in an experiment at 7.8 GPa and 1350°C. The synthesized fluid contains mainly aldehydes; lower amounts of ketones, alcohols, esters, and ethers; as well as noticeable amounts of isobutane and butane, alkenes, arenes, and polycyclic aromatic and heterocyclic hydrocarbons. The fluid is compositionally close to volatiles found in inclusions from mantle olivines and picroilmenites.

Study on the application of shear-wave elastography to thin-layered media and tubular structure: Finite-element analysis and experiment verification

NASA Astrophysics Data System (ADS)

Jang, Jun-keun; Kondo, Kengo; Namita, Takeshi; Yamakawa, Makoto; Shiina, Tsuyoshi

2016-07-01

Shear-wave elastography (SWE) enables the noninvasive and quantitative evaluation of the mechanical properties of human soft tissue. Generally, shear-wave velocity (C S) can be estimated using the time-of-flight (TOF) method. Young’s modulus is then calculated directly from the estimated C S. However, because shear waves in thin-layered media propagate as guided waves, C S cannot be accurately estimated using the conventional TOF method. Leaky Lamb dispersion analysis (LLDA) has recently been proposed to overcome this problem. In this study, we performed both experimental and finite-element (FE) analyses to evaluate the advantages of LLDA over TOF. In FE analysis, we investigated why the conventional TOF is ineffective for thin-layered media. In phantom experiments, C S results estimated using the two methods were compared for 1.5 and 2% agar plates and tube phantoms. Furthermore, it was shown that Lamb waves can be applied to tubular structures by extracting lateral waves traveling in the long axis direction of the tube using a two-dimensional window. Also, the effects of the inner radius and stiffness (or shear wavelength) of the tube on the estimation performance of LLDA were experimentally discussed. In phantom experiments, the results indicated good agreement between LLDA (plate phantoms of 2 mm thickness: 5.0 m/s for 1.5% agar and 7.2 m/s for 2% agar; tube phantoms with 2 mm thickness and 2 mm inner radius: 5.1 m/s for 1.5% agar and 7.0 m/s for 2% agar; tube phantoms with 2 mm thickness and 4 mm inner radius: 5.3 m/s for 1.5% agar and 7.3 m/s for 2% agar) and SWE measurements (bulk phantoms: 5.3 m/s ± 0.27 for 1.5% agar and 7.3 m/s ± 0.54 for 2% agar).

A quantum chemistry study of Qinghaosu

NASA Astrophysics Data System (ADS)

Gu, Jian-De; Chen, Kai-Xian; Jiang, Hua-Liang; Zhu, Wei-Liang; Chen, Jian-Zhong; Ji, Ru-Yun

1997-10-01

The powerful anti-malarial drug, Qinghaosu (Artemisinin), has been studied using ab initio methods. The DFT B3LYP method with the 6-31G ∗ basis set gives an excellent geometry compared to experiments, especially for the OO bond length and the 1,2,4-Trioxane ring subsystem. The R(OO) bond length predicted at this level is 1.460 Å, only 0.018 Å shorter than the experimental measurement. The vibrational analysis shows that the OO stretching mode is combined with the OC vibration mode, having the character of an OOC entity. The OO vibrational band at 722 cm -1 suggested in the experimental studies has been assigned as 1,2,4-trioxane ring breathing.

Laboratory-derived temperature preference and effect on the feeding rate and survival of juvenile Hemimysis anomala

USGS Publications Warehouse

Sun, Jennifer; Rudstam, Lars S.; Boscarino, Brent T.; Walsh, Maureen G.; Lantry, Brian F.

2013-01-01

Hemimysis anomala is a warm-water mysid that invaded the Great Lakes region in 2006 and has since rapidly spread throughout the basin. We conducted three laboratory experiments to better define the temperature preference, tolerance limits, and temperature effects on feeding rates of juvenile Hemimysis, using individuals acclimated to mid (16 °C) and upper (22 °C) preferred temperature values previously reported for the species. For temperature preference, we fit a two-parameter Gaussian (μ, σ) function to the experimental data, and found that the peak values (μ, interpreted as the preference temperature) were 22.0 °C (SE 0.25) when acclimated to 16 and 21.9 °C (SE 0.38) when acclimated to 22 °C, with the σ-values of the curves at 2.6 and 2.5 °C, respectively. No mysids were observed in temperatures below 10 or above 28 °C in these preference experiments. In short-term tolerance experiments for temperatures between 4 and 32 °C, all mysids died within 8 h at 30.2 °C for 16 °C acclimated mysids, and at 31.8 °C for 22 °C acclimated mysids. No lower lethal limit was found. Feeding rates increased with temperature from an average of 4 Bosmina eaten per hour at 5 °C to 19 Bosmina eaten per hour at 27 °C. The results of our experiments indicate an optimal temperature for Hemimysis between 21 and 27 °C, which corresponds with temperatures during periods of high population growth in the field. These results contribute a better understanding of this species' biological response to temperature that will help guide field studies and inform bioenergetics modeling.

Overview of C-2W Field-Reversed Configuration Experimental Program

NASA Astrophysics Data System (ADS)

Gota, H.; Binderbauer, M. W.; Tajima, T.; Putvinski, S.; Tuszewski, M.; Dettrick, S.; Korepanov, S.; Romero, J.; Smirnov, A.; Song, Y.; Thompson, M. C.; van Drie, A.; Yang, X.; Ivanov, A. A.; TAE Team

2017-10-01

Tri Alpha Energy's research has been devoted to producing a high temperature, stable, long-lived field-reversed configuration (FRC) plasma state by neutral-beam injection (NBI) and edge biasing/control. C-2U experiments have demonstrated drastic improvements in particle and energy confinement properties of FRC's, and the plasma performance obtained via 10 MW NBI has achieved plasma sustainment of up to 5 ms and plasma (diamagnetism) lifetimes of 10 + ms. The emerging confinement scaling, whereby electron energy confinement time is proportional to a positive power of the electron temperature, is very attractive for higher energy plasma confinement; accordingly, verification of the observed Te scaling law will be a key future research objective. The new experimental device, C-2W (now also called ``Norman''), has the following key subsystem upgrades from C-2U: (i) higher injected power, optimum energies, and extended pulse duration of the NBI system; (ii) installation of inner divertors with upgraded edge-biasing systems; (iii) fast external equilibrium/mirror-coil current ramp-up capability; and (iv) installation of trim/saddle coils for active feedback control of the FRC plasma. This paper will review highlights of the C-2W program.

Artificial intelligence and regression analysis for Cd(II) ion biosorption from aqueous solution by Gossypium barbadense waste.

PubMed

Fawzy, Manal; Nasr, Mahmoud; Nagy, Heba; Helmi, Shacker

2018-02-01

In this study, batch biosorption experiments were conducted to determine the removal efficiency of Cd(II) ion from aqueous solutions by Gossypium barbadense waste. The biosorbent was characterized by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) connected with energy dispersive X-ray (EDX). The sorption mechanism was described by complexation/chelation of Cd 2+ with the functional groups of O-H, C=O, -COO-, and C-O, as well as, cation-exchange with Mg 2+ and K + . At initial Cd(II) ion concentration (C o ), 50 mg/L, the adsorption equilibrium of 89.2% was achieved after 15 min under the optimum experimental factors of pH 6.0, biosorbent dosage 10 g/L, and particle diameter 0.125-0.25 mm. Both Langmuir and Freundlich models fitted well to the sorption data, suggesting the co-existence of monolayer coverage along with heterogenous surface biosorption. Artificial neural network (ANN) with a structure of 5-10-1 was performed to predict the Cd(II) ion removal efficiency. The ANN model provided high fit (R 2 0.923) to the experimental data and indicated that C o was the most influential input. A pure-quadratic model was developed to determine the effects of experimental factors on Cd(II) ion removal efficiency, which indicated the limiting nature of pH and biosorbent dosage on Cd(II) adsorption. Based on the regression model (R 2 0.873), the optimum experimental factors were pH 7.61, biosorbent dosage 24.74 g/L, particle size 0.125-0.25 mm, and adsorption time 109.77 min, achieving Cd 2+ removal of almost 100% at C o 50 mg/L.

Experimental measurement of microwave ablation heating pattern and comparison to computer simulations.

PubMed

Deshazer, Garron; Prakash, Punit; Merck, Derek; Haemmerich, Dieter

2017-02-01

For computational models of microwave ablation (MWA), knowledge of the antenna design is necessary, but the proprietary design of clinical applicators is often unknown. We characterised the specific absorption rate (SAR) during MWA experimentally and compared to a multi-physics simulation. An infrared (IR) camera was used to measure SAR during MWA within a split ex vivo liver model. Perseon Medical's short-tip (ST) or long-tip (LT) MWA antenna were placed on top of a tissue sample (n = 6), and microwave power (15 W) was applied for 6 min, while intermittently interrupting power. Tissue surface temperature was recorded via IR camera (3.3 fps, 320 × 240 resolution). SAR was calculated intermittently based on temperature slope before and after power interruption. Temperature and SAR data were compared to simulation results. Experimentally measured SAR changed considerably once tissue temperatures exceeded 100 °C, contrary to simulation results. The ablation zone diameters were 1.28 cm and 1.30 ± 0.03 cm (transverse), and 2.10 cm and 2.66 ± -0.22 cm (axial), for simulation and experiment, respectively. The average difference in temperature between the simulation and experiment were 5.6 °C (ST) and 6.2 °C (LT). Dice coefficients for 1000 W/kg SAR iso-contour were 0.74 ± 0.01 (ST) and 0.77 (± 0.03) (LT), suggesting good agreement of SAR contours. We experimentally demonstrated changes in SAR during MWA ablation, which were not present in simulation, suggesting inaccuracies in dielectric properties. The measured SAR may be used in simplified computer simulations to predict tissue temperature when the antenna geometry is unknown.

Course 8: Biological Physics in Silico

NASA Astrophysics Data System (ADS)

Austin, R. H.

1 Why micro/nanofabrication? Lecture 1a: Hydrodynamic Transport 1 Introduction: The need to control flows in 2 1/2 D 2 Somewhat simple hydrodynamics in 2 1/2 D 3 The N-port injector idea 4 Conclusion Lecture 1b: Dielectrophoresis and Microfabrication 1 Introduction 2 Methods 3 Results 4 Data and analysis 5 Origin of the low frequency dielectrophoretic force in DNA 6 Conclusion Lecture 2a: Hex Arrays 1 Introduction 2 Experimental approach 3 Conclusions Lecture 2b: The DNA Prism 1 Introduction 2 Design 3 Results 4 Conclusions Lecture 2c: Bigger is Better in Rachets 1 The problems with insulators in rachets 2 An experimental test 3 Conclusions Lecture 3: Going After Epigenetics 1 Introduction 2 The nearfield scanner 3 The chip 4 Experiments with molecules 5 Conclusions Lecture 4: Fractionating Cells 1 Introduction 2 Blood specifics 3 Magnetic separation 4 Microfabrication 5 Magnetic field gradients 6 Device interface 7 A preliminary blood cell run 8 Conclusions Lecture 5: Protein Folding on a Chip 1 Introduction 2 Technology 3 Experiments 4 Conclusions

Experimental evidence for glycolaldehyde and ethylene glycol formation by surface hydrogenation of CO molecules under dense molecular cloud conditions

NASA Astrophysics Data System (ADS)

Fedoseev, G.; Cuppen, H. M.; Ioppolo, S.; Lamberts, T.; Linnartz, H.

2015-04-01

This study focuses on the formation of two molecules of astrobiological importance - glycolaldehyde (HC(O)CH2OH) and ethylene glycol (H2C(OH)CH2OH) - by surface hydrogenation of CO molecules. Our experiments aim at simulating the CO freeze-out stage in interstellar dark cloud regions, well before thermal and energetic processing become dominant. It is shown that along with the formation of H2CO and CH3OH - two well-established products of CO hydrogenation - also molecules with more than one carbon atom form. The key step in this process is believed to be the recombination of two HCO radicals followed by the formation of a C-C bond. The experimentally established reaction pathways are implemented into a continuous-time random-walk Monte Carlo model, previously used to model the formation of CH3OH on astrochemical time-scales, to study their impact on the solid-state abundances in dense interstellar clouds of glycolaldehyde and ethylene glycol.

Photodissociation of pyrene cations: structure and energetics from C16H10(+) to C14(+) and almost everything in between.

PubMed

West, Brandi; Useli-Bacchitta, Francesca; Sabbah, Hassan; Blanchet, Valérie; Bodi, Andras; Mayer, Paul M; Joblin, Christine

2014-09-11

The unimolecular dissociation of the pyrene radical cation, C16H10(+•), has been explored using a combination of computational techniques and experimental approaches, such as multiple photon absorption in the cold ion trap Piège à Ions pour la Recherche et l'Etude de Nouvelles Espèces Astrochimiques (PIRENEA) and imaging photoelectron photoion coincidence spectrometry (iPEPICO). In total, 22 reactions, involving the fragmentation cascade (H, C2H2, and C4H2 loss) from the pyrene radical cation down to the C14(+•) fragment ion, have been studied using PIRENEA. Branching ratios have been measured for reactions from C16H10(+•), C16H8(+•), and C16H5(+). Density functional theory calculations of the fragmentation pathways observed experimentally and postulated theoretically lead to 17 unique structures. One important prediction is the opening of the pyrene ring system starting from the C16H4(+•) radical. In the iPEPICO experiments, only two reactions could be studied, namely, R1 C16H10(+•) → C16H9(+) + H (m/z = 201) and R2 C16H9(+) → C16H8(+•) + H (m/z = 200). The activation energies for these reactions were determined to be 5.4 ± 1.2 and 3.3 ± 1.1 eV, respectively.

Abiotic methane formation during experimental serpentinization of olivine

PubMed Central

2016-01-01

Fluids circulating through actively serpentinizing systems are often highly enriched in methane (CH4). In many cases, the CH4 in these fluids is thought to derive from abiotic reduction of inorganic carbon, but the conditions under which this process can occur in natural systems remain unclear. In recent years, several studies have reported abiotic formation of CH4 during experimental serpentinization of olivine at temperatures at or below 200 °C. However, these results seem to contradict studies conducted at higher temperatures (300 °C to 400 °C), where substantial kinetic barriers to CH4 synthesis have been observed. Here, the potential for abiotic formation of CH4 from dissolved inorganic carbon during olivine serpentinization is reevaluated in a series of laboratory experiments conducted at 200 °C to 320 °C. A 13C-labeled inorganic carbon source was used to unambiguously determine the origin of CH4 generated in the experiments. Consistent with previous high-temperature studies, the results indicate that abiotic formation of CH4 from reduction of dissolved inorganic carbon during the experiments is extremely limited, with nearly all of the observed CH4 derived from background sources. The results indicate that the potential for abiotic synthesis of CH4 in low-temperature serpentinizing environments may be much more limited than some recent studies have suggested. However, more extensive production of CH4 was observed in one experiment performed under conditions that allowed an H2-rich vapor phase to form, suggesting that shallow serpentinization environments where a separate gas phase is present may be more favorable for abiotic synthesis of CH4. PMID:27821742

Abiotic methane formation during experimental serpentinization of olivine.

PubMed

McCollom, Thomas M

2016-12-06

Fluids circulating through actively serpentinizing systems are often highly enriched in methane (CH 4 ). In many cases, the CH 4 in these fluids is thought to derive from abiotic reduction of inorganic carbon, but the conditions under which this process can occur in natural systems remain unclear. In recent years, several studies have reported abiotic formation of CH 4 during experimental serpentinization of olivine at temperatures at or below 200 °C. However, these results seem to contradict studies conducted at higher temperatures (300 °C to 400 °C), where substantial kinetic barriers to CH 4 synthesis have been observed. Here, the potential for abiotic formation of CH 4 from dissolved inorganic carbon during olivine serpentinization is reevaluated in a series of laboratory experiments conducted at 200 °C to 320 °C. A 13 C-labeled inorganic carbon source was used to unambiguously determine the origin of CH 4 generated in the experiments. Consistent with previous high-temperature studies, the results indicate that abiotic formation of CH 4 from reduction of dissolved inorganic carbon during the experiments is extremely limited, with nearly all of the observed CH 4 derived from background sources. The results indicate that the potential for abiotic synthesis of CH 4 in low-temperature serpentinizing environments may be much more limited than some recent studies have suggested. However, more extensive production of CH 4 was observed in one experiment performed under conditions that allowed an H 2 -rich vapor phase to form, suggesting that shallow serpentinization environments where a separate gas phase is present may be more favorable for abiotic synthesis of CH 4 .

Experimental Determination of Carbon Isotope Fractionation in C-O-H-Fluids and the Carbonate-melt - Graphite System at High Temperatures

NASA Astrophysics Data System (ADS)

Kueter, N.; Schmidt, M. W.; Lilley, M. D.; Bernasconi, S. M.

2017-12-01

The understanding of deep-earth carbon fluxes depends greatly on the investigation of carbon isotope systematics in C-O-H-fluids and carbon minerals, such as graphite and diamond (C0). The isotope fractionation factors between the different C-phases and species (in e.g. a fluid) thus govern the observed isotope fractionation patterns. C-isotope fractionation factors relevant for high temperatures are mainly derived from theoretical calculations [e.g. 1,2,3] and, with few exceptions, lack experimental determinations [e.g. 4]. Hundreds of own experiments aimed at equilibrating elemental carbon (C0, graphite/diamond) with C-O-H-fluids demonstrate that kinetics reigns as no system would be closed for H on time scales and temperatures allowing for graphite to equilibrate. To overcome this problem, we performed two studies to determine the C-isotope fractionation in 1) the CO2-CO-CH4 system and 2) the carbonate-melt - graphite system. Equilibrium C-isotope fractionation factors were obtained for CO2 - CO and CH4 - CO pairs (600 - 1200°C) and graphite - Na2CO3/CaCO3melt (900 - 1500°C). Combined with the already available fractionation data for the CaCO3-CO2 pair (400-950°C) from Chacko et al. [4], we determined experimentally based C-isotope fractionation factors for C0 - CH4 and CO2 - C0 pairs by 1) Δ13CCO2-graphite = Δ13CCO2-carbonate + Δ13CCarbonate-graphite and 2) Δ13Cgraphite-CH4 = Δ13CCO2-CH4 - Δ13CCO2-graphite . Current calculated fractionation factors relevant for mantle temperatures (1100 - 1500°C) suggest C-isotope partitioning in the CO2 - C0 pair on the order of 4.2 to 2.4‰, about 2‰ less than predicted by theoretically derived factors [3]. In contrast, our calculations suggest fractionation of about 1.4 to 1.1‰ for the C0 - CH4 pair, about 1‰ higher than expected by theory [3]. [1] Richet et al. (1977) Ann. Rev. Earth Planet. Sci.; [2] Polyakov & Kharlashina (1995) GCA; [3] Bottinga (1969) GCA; [4] Chacko et al. (2001) Rev Mineral Geochem

On the use of response surface methodology to predict and interpret the preferred c-axis orientation of sputtered AlN thin films

NASA Astrophysics Data System (ADS)

Adamczyk, J.; Horny, N.; Tricoteaux, A.; Jouan, P.-Y.; Zadam, M.

2008-01-01

This paper deals with experimental design applied to response surface methodology (RSM) in order to determine the influence of the discharge conditions on preferred c-axis orientation of sputtered AlN thin films. The thin films have been deposited by DC reactive magnetron sputtering on Si (1 0 0) substrates. The preferred orientation was evaluated using a conventional Bragg-Brentano X-ray diffractometer ( θ-2 θ) with the CuKα radiation. We have first determined the experimental domain for 3 parameters: sputtering pressure (2-6 mTorr), discharge current (312-438 mA) and nitrogen percentage (17-33%). For the setup of the experimental design we have used a three factors Doehlert matrix which allows the use of the statistical response surface methodology (RSM) in a spherical domain. A four dimensional surface response, which represents the (0 0 0 2) peak height as a function of sputtering pressure, discharge current and nitrogen percentage, was obtained. It has been found that the main interaction affecting the preferential c-axis orientation was the pressure-nitrogen percentage interaction. It has been proved that a Box-Cox transformation is a very useful method to interpret and discuss the experimental results and leads to predictions in good agreement with experiments.

Potential impact of Chironomus plumosus larvae on hypolimnetic oxygen in the central basin of Lake Erie

USGS Publications Warehouse

Soster, Frederick M.; Matisoff, Gerald; Schloesser, Donald W.; Edwards, William J.

2015-01-01

Previous studies have indicated that burrow-irrigating infauna can increase sediment oxygen demand (SOD) and impact hypolimnetic oxygen in stratified lakes. We conducted laboratory microcosm experiments and computer simulations with larvae of the burrowing benthic midge Chironomus plumosus to quantify burrow oxygen uptake rates and subsequent contribution to sediment oxygen demand in central Lake Erie. Burrow oxygen uptake and water flow velocities through burrows were measured using oxygen microelectrodes and hot film anemometry, respectively. Burrow oxygen consumption averaged 2.66 × 10− 10 (SE = ± 7.82 × 10− 11) mol O2/burrow/s at 24 °C and 9.64 × 10− 10 (SE = ± 4.86 × 10− 10) mol O2/burrow/s at 15 °C. In sealed microcosm experiments, larvae increased SOD 500% at 24 °C (density = 1508/m2) and 375% at 15 °C (density = 864/m2). To further evaluate effects of densities of C. plumosus burrows on SOD we developed a 3-D transport reaction model of the process. Using experimental data and chironomid abundance data in faunal surveys in 2009 and 2010, we estimated that bioirrigation by a population of 140 larvae/m2 could account for between 2.54 × 10− 11 mol/L/s (model results) and 5.58 × 10− 11 mol/L/s (experimental results) of the average 4.22 × 10− 11 mol/L/s oxygen depletion rate between 1970 and 2003, which could have accounted for 60–132% of the oxygen decline. At present, it appears that the population density of this species may be an important factor in development of hypoxic or anoxic conditions in central Lake Erie.

Identification of the fragment of the 1-methylpyrene cation by mid-IR spectroscopy

NASA Astrophysics Data System (ADS)

Jusko, Pavol; Simon, Aude; Wenzel, Gabi; Brünken, Sandra; Schlemmer, Stephan; Joblin, Christine

2018-04-01

The fragment of the 1-methylpyrene cation, 17C 11H+, is expected to exist in two isomeric forms, 1-pyrenemethylium PyrCH2+ and the tropylium containing species PyrC7+. We measured the infrared (IR) action spectrum of cold 17C 11H+ tagged with Ne using a cryogenic ion trap instrument coupled to the FELIX laser. Comparison of the experimental data with density functional theory calculations allows us to identify the PyrCH2+ isomer in our experiments. The IR Multi-Photon Dissociation spectrum was also recorded following the C2H2 loss channel. Its analysis suggests combined effects of anharmonicity and isomerisation while heating the trapped ions, as shown by molecular dynamics simulations.

C4MIP - The Coupled Climate-Carbon Cycle Model Intercomparison Project: experimental protocol for CMIP6

NASA Astrophysics Data System (ADS)

Jones, Chris D.; Arora, Vivek; Friedlingstein, Pierre; Bopp, Laurent; Brovkin, Victor; Dunne, John; Graven, Heather; Hoffman, Forrest; Ilyina, Tatiana; John, Jasmin G.; Jung, Martin; Kawamiya, Michio; Koven, Charlie; Pongratz, Julia; Raddatz, Thomas; Randerson, James T.; Zaehle, Sönke

2016-08-01

Coordinated experimental design and implementation has become a cornerstone of global climate modelling. Model Intercomparison Projects (MIPs) enable systematic and robust analysis of results across many models, by reducing the influence of ad hoc differences in model set-up or experimental boundary conditions. As it enters its 6th phase, the Coupled Model Intercomparison Project (CMIP6) has grown significantly in scope with the design and documentation of individual simulations delegated to individual climate science communities. The Coupled Climate-Carbon Cycle Model Intercomparison Project (C4MIP) takes responsibility for design, documentation, and analysis of carbon cycle feedbacks and interactions in climate simulations. These feedbacks are potentially large and play a leading-order contribution in determining the atmospheric composition in response to human emissions of CO2 and in the setting of emissions targets to stabilize climate or avoid dangerous climate change. For over a decade, C4MIP has coordinated coupled climate-carbon cycle simulations, and in this paper we describe the C4MIP simulations that will be formally part of CMIP6. While the climate-carbon cycle community has created this experimental design, the simulations also fit within the wider CMIP activity, conform to some common standards including documentation and diagnostic requests, and are designed to complement the CMIP core experiments known as the Diagnostic, Evaluation and Characterization of Klima (DECK). C4MIP has three key strands of scientific motivation and the requested simulations are designed to satisfy their needs: (1) pre-industrial and historical simulations (formally part of the common set of CMIP6 experiments) to enable model evaluation, (2) idealized coupled and partially coupled simulations with 1 % per year increases in CO2 to enable diagnosis of feedback strength and its components, (3) future scenario simulations to project how the Earth system will respond to anthropogenic activity over the 21st century and beyond. This paper documents in detail these simulations, explains their rationale and planned analysis, and describes how to set up and run the simulations. Particular attention is paid to boundary conditions, input data, and requested output diagnostics. It is important that modelling groups participating in C4MIP adhere as closely as possible to this experimental design.

C4MIP – The Coupled Climate–Carbon Cycle Model Intercomparison Project: Experimental protocol for CMIP6

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jones, Chris D.; Arora, Vivek; Friedlingstein, Pierre

Coordinated experimental design and implementation has become a cornerstone of global climate modelling. Model Intercomparison Projects (MIPs) enable systematic and robust analysis of results across many models, by reducing the influence of ad hoc differences in model set-up or experimental boundary conditions. As it enters its 6th phase, the Coupled Model Intercomparison Project (CMIP6) has grown significantly in scope with the design and documentation of individual simulations delegated to individual climate science communities. The Coupled Climate–Carbon Cycle Model Intercomparison Project (C4MIP) takes responsibility for design, documentation, and analysis of carbon cycle feedbacks and interactions in climate simulations. These feedbacks aremore » potentially large and play a leading-order contribution in determining the atmospheric composition in response to human emissions of CO 2 and in the setting of emissions targets to stabilize climate or avoid dangerous climate change. For over a decade, C4MIP has coordinated coupled climate–carbon cycle simulations, and in this paper we describe the C4MIP simulations that will be formally part of CMIP6. While the climate–carbon cycle community has created this experimental design, the simulations also fit within the wider CMIP activity, conform to some common standards including documentation and diagnostic requests, and are designed to complement the CMIP core experiments known as the Diagnostic, Evaluation and Characterization of Klima (DECK). C4MIP has three key strands of scientific motivation and the requested simulations are designed to satisfy their needs: (1) pre-industrial and historical simulations (formally part of the common set of CMIP6 experiments) to enable model evaluation, (2) idealized coupled and partially coupled simulations with 1 % per year increases in CO 2 to enable diagnosis of feedback strength and its components, (3) future scenario simulations to project how the Earth system will respond to anthropogenic activity over the 21st century and beyond. This study documents in detail these simulations, explains their rationale and planned analysis, and describes how to set up and run the simulations. Particular attention is paid to boundary conditions, input data, and requested output diagnostics. It is important that modelling groups participating in C4MIP adhere as closely as possible to this experimental design.« less

C4MIP – The Coupled Climate–Carbon Cycle Model Intercomparison Project: Experimental protocol for CMIP6

DOE PAGES

Jones, Chris D.; Arora, Vivek; Friedlingstein, Pierre; ...

2016-08-25

Coordinated experimental design and implementation has become a cornerstone of global climate modelling. Model Intercomparison Projects (MIPs) enable systematic and robust analysis of results across many models, by reducing the influence of ad hoc differences in model set-up or experimental boundary conditions. As it enters its 6th phase, the Coupled Model Intercomparison Project (CMIP6) has grown significantly in scope with the design and documentation of individual simulations delegated to individual climate science communities. The Coupled Climate–Carbon Cycle Model Intercomparison Project (C4MIP) takes responsibility for design, documentation, and analysis of carbon cycle feedbacks and interactions in climate simulations. These feedbacks aremore » potentially large and play a leading-order contribution in determining the atmospheric composition in response to human emissions of CO 2 and in the setting of emissions targets to stabilize climate or avoid dangerous climate change. For over a decade, C4MIP has coordinated coupled climate–carbon cycle simulations, and in this paper we describe the C4MIP simulations that will be formally part of CMIP6. While the climate–carbon cycle community has created this experimental design, the simulations also fit within the wider CMIP activity, conform to some common standards including documentation and diagnostic requests, and are designed to complement the CMIP core experiments known as the Diagnostic, Evaluation and Characterization of Klima (DECK). C4MIP has three key strands of scientific motivation and the requested simulations are designed to satisfy their needs: (1) pre-industrial and historical simulations (formally part of the common set of CMIP6 experiments) to enable model evaluation, (2) idealized coupled and partially coupled simulations with 1 % per year increases in CO 2 to enable diagnosis of feedback strength and its components, (3) future scenario simulations to project how the Earth system will respond to anthropogenic activity over the 21st century and beyond. This study documents in detail these simulations, explains their rationale and planned analysis, and describes how to set up and run the simulations. Particular attention is paid to boundary conditions, input data, and requested output diagnostics. It is important that modelling groups participating in C4MIP adhere as closely as possible to this experimental design.« less

Subsolidus and melting phase relations in the system CaCO3-MgCO3-FeCO3 at 35 kbar: from experiments to predictions based on a thermodynamic model

NASA Astrophysics Data System (ADS)

Franzolin, E.; Schmidt, M. W.; Poli, S.

2009-12-01

At convergent margins volatile components, most notably CO2 and H2O, stored in oceanic sediments and MORB are recycled into the mantle. Mafic protoliths become enriched in CO2 and H2O, stored in carbonates and hydrous phases, by hydrothermal alteration. As carbonates are more refractory than hydrous phases, CO2 is more likely to survive in the oceanic lithosphere beyond sub-arc depths [1,2]. Despite the main role of carbonates on cycling crustal and atmospheric CO2 into the mantle, experimental data within the system CaCO3-MgCO3-FeCO3 are scarce. To bridge this gap, piston-cylinder experiments have been performed at 35 kbar, 900-1100 °C to determine subsolidus relations, and up to 1300 °C to constrain melting relations. Pure synthetic calcite, natural magnesite and synthetic siderite have been mixed in different proportions in double Pt-C capsules, to avoid major siderite oxidation. Subsolidus experiments reveal the presence of two miscibility gaps at 900 °C: the solvus dolomite-calcite, which closes at XMgCO3 ~ 0.7, and the solvus dolomite-magnesite, which ranges to the Fe-side of the ternary. Increasing the temperature, the two miscibility gaps became narrower until complete solid solutions between CaCO3-Ca0.5Mg0.5CO3 at 1100 °C, and between CaCO3-FeCO3 at 1000 °C, are observed. The system is characterized by strong compositional asymmetry, thermodynamically described with a van Laar macroscopic formalism [3], and by R-3<=>R-3c phase transitions due to cation disordering, treated by redefining the compositional space with an independent set of end-members that describe both composition and states of ordering. The result is a solid solution model able to reproduce both the phase relations experimentally observed at 35 kbar and those experimentally determined and naturally observed at lower pressure [4-5]. Our model can be reliable extended to pressures of the breakdown of dolomite, e.g. 5-6 GPa, 600-1000 °C. Melting experiments carried out at 1250 °C along the join CaCO3-MgCO3, yield an eutectic at a slightly lower temperature at XCa ~ 0.7; the eutectic temperature decreases with the Fe content in the bulk. The 2-phase field calcite (XCa~0.75) + liquid, broadens with the increase of XFe in the system. Along the join CaMg(CO3)2-CaFe(CO3)2, melting takes place at XFe ~ 0.2, producing Ca enriched melt + Mg enriched dolomite. The new subsolidus and melting data and the ternary thermodynamic solid solution model, have been combined to predict the fate of FeO and CO2 rich systems (i.e. BIF associated with Fe-shale, high-Fe altered basalts and Fe-enriched carbonated metapelites), recycled back into the mantle during the history of the Earth. [1] Kerrick&Connolly, EPSL, 2001, 189, 19-29. [2] Poli et al., EPSL, 2009, 278, 350-360. [3] Holland&Powell, Contr. Min. Pet., 2003, 145, 492-501. [4] Goldsmith et al., Journ. of Geol., 1962, 70, 659-688. [5] Rosenberg, Am. Min., 1967, 52, 787-796.

The stability of annite+quartz: reversed experimental data for the reaction 2 annite+3 quartz=2 sanidine+3 fayalite +2 H2O

NASA Astrophysics Data System (ADS)

Dachs, E.; Benisek, Artur

1995-10-01

Reversals for the reaction 2 annite+3 quartz=2 sanidine+3 fayalite+2 H2O have been experimentally determined in cold-seal pressure vessels at pressures of 2, 3, 4 and 5 kbar, limiting annite +quartz stability towards higher temperatures. The equilibrium passes through the temperature intervals 500 540° C (2 kbar), 550 570° C (3 kbar), 570 590° C (4 kbar) and 590 610° C (5 kbar). Starting materials for most experiments were mixtures of synthetic annite +fayalite+sanidine+quartz and in some runs annite+quartz alone. Microprobe analyses of the reacted mixtures showed that the annites deviate slightly from their ideal Si/Al ratio (Si per formula unit ranges between 2.85 and 2.92, AlVI between 0.06 and 0.15). As determined by Mössbauer spectroscopy, the Fe3+ content of annite in the assemblage annite+fayalite +sanidine+quartz is around 5 7%. The experimental data were used to extract the thermodynamic standard state enthalpy and entropy of annite as follows: H 0 f, Ann =-5125.896±8.319 [kJ/mol] and S 0 Ann=432.62±8.89 [J/mol/K] (consistent with the Holland and Powell 1990 data set), and H 0 f,Ann =-5130.971±7.939 [kJ/mol] and S 0 Ann=424.02±8.39 [J/mol/K] (consistent with the TWEEQ data base, Berman 1991). The preceeding values are close to the standard state properties derived from hydrogen sensor data of the redox reaction annite=sanidine+magnetite+ H 2 (Dachs 1994). The experimental half-reversal of Eugster and Wones (1962) on the annite +quartz breakdown reaction could not be reproduced experimentally (formation of annite from sanidine+fayalite+quartz at 540° C/1.035 kbar/magnetite-iron buffer) and probable reasons for this discrepancy remain unclear. The extracted thermodynamic standard state properties of annite were used to calculate annite and annite+quartz stabilities for pressures between 2 and 5 kbar.

Dynamics of Nafion membrane swelling in H2O/D2O mixtures as studied using FTIR technique

NASA Astrophysics Data System (ADS)

Bunkin, Nikolai F.; Kozlov, Valeriy A.; Shkirin, Alexey V.; Ninham, Barry W.; Balashov, Anatoliy A.; Gudkov, Sergey V.

2018-03-01

Experiments with Fourier transform spectrometry of Nafion, a water-swollen polymeric membrane, are described. The transmittance spectra of liquid samples and Nafion, soaked in these samples, were studied, depending on the deuterium content in water in the spectral range 1.8-2.15 μm. The experiments were carried out using two protocols: in the first protocol we studied the dynamics of Nafion swelling in H2O + D2O mixtures for the deuterium concentrations 3 < C < 104 ppm, and in the second protocol we studied the dynamics of swelling in pure heavy water (C = 106 ppm). For liquid mixtures in the concentration range 3 < C < 104 ppm, the transmittance spectra are the same, but for Nafion soaked in these fluids, the corresponding spectra are different. It is shown that, in the range of deuterium contents C = 90-500 ppm, the behavior of transmittance of the polymer membrane is non-monotonic. In experiments using the second protocol, the dynamics of diffusion replacement of residual water, which is always present in the bulk of the polymer membrane inside closed cavities (i.e., without access to atmospheric air), were studied. The experimentally estimated diffusion coefficient for this process is ≈6.10-11 cm2/s.

[Morphophysiological monitoring of winter wheat at spring in connection with problem of global climate change].

PubMed

Klimov, S V; Burakhanova, E A; Dubinina, I M; Alieva, G P; Sal'nikova, E B; Trunova, T I

2006-01-01

Data on morphophysiological monitoring of winter wheat (Triticum aestivum L.) cultivar Mironovskaya 808 grown in Hoagland and Arnon solution in a greenhouse and transferred to natural conditions in March-April 2004 with the mean daily temperature of 0.6 +/- 0.7 degrees C within the exposure period of 42 days are presented. Water content, dry weight of plants and their organs, frost hardiness of plants, degree of tissue damage by frost, CO2 metabolism (photosynthesis and respiration), concentrations of sugars in tissues and proportions between different sugar forms, and activities of soluble and insoluble acid and alkaline phosphatases were monitored. Monitoring was carried out for three experimental variants simulating different microclimatic conditions in spring: after snow melting (experiment I), under ice crust (experiment II), and under snow cover (experiment III). Plants in experiments III and II demonstrated a higher water content in tissues, lower frost hardiness, higher rates of biomass loss, lower concentration of sugars and lower di- to monosaccharide ratio in tissues, and higher total invertase activity, particularly, cell wall-associated acid invertase activity. The dark respiration rates at 0 degrees C did not significantly differ between experimental variants. The photosynthetic capacity at this measurement temperature was maintained in all experimental variants being most pronounced in experiment II with the most intense photoinhibition under natural conditions. Comparison of experiments III and II with experiment I is used to discuss the negative effect of changes in certain microclimatic variables associated with global warming and leading to plant extortion and death from frost in spring.

Corrosion of copper and authigenic sulfide mineral growth in hydrothermal bentonite experiments

NASA Astrophysics Data System (ADS)

Caporuscio, F. A.; Palaich, S. E. M.; Cheshire, M. C.; Jové Colón, C. F.

2017-03-01

The focus of this experimental work is to characterize interaction of bentonite with possible used-fuel waste container materials. Experiments were performed up to 300 °C at 150-160 bars for five to six weeks. Bentonite was saturated with a 1900 ppm K-Ca-Na-Cl-bearing water with Cu-foils. Copper rapidly degrades into chalcocite (CuS2) and minor covellite (CuS) in the presence of H2S. Chalcocite growth and corrosion pit depths were measured for four different experimental runs yielding corrosion rates between 8.8 and 116 μm/yr depending on duration of experiment, brine composition, and clay type (bentonite vs. Opalinus Clay). Results of this research show that although pit-corrosion is demonstrated on Cu substrates, experiments show that the reactions that ensue, and the formation of minerals that develop, are extraordinarily slow. This supports the use of Cu in nuclide-containment systems as a possible engineered barrier system material.

Corrosion of copper and authigenic sulfide mineral growth in hydrothermal bentonite experiments

DOE PAGES

Caporuscio, F. A.; Palaich, Sarah E. M.; Cheshire, M. C.; ...

2016-12-29

The focus of this experimental paper is to characterize interaction of bentonite with possible used-fuel waste container materials. Experiments were performed up to 300 °C at 150–160 bars for five to six weeks. Bentonite was saturated with a 1900 ppm K-Ca-Na-Cl-bearing water with Cu-foils. Copper rapidly degrades into chalcocite (CuS 2) and minor covellite (CuS) in the presence of H 2S. Chalcocite growth and corrosion pit depths were measured for four different experimental runs yielding corrosion rates between 8.8 and 116 μm/yr depending on duration of experiment, brine composition, and clay type (bentonite vs. Opalinus Clay). Results of this researchmore » show that although pit-corrosion is demonstrated on Cu substrates, experiments show that the reactions that ensue, and the formation of minerals that develop, are extraordinarily slow. Finally, this supports the use of Cu in nuclide-containment systems as a possible engineered barrier system material.« less

The Blacktail Creek Tuff: an analytical and experimental study of rhyolites from the Heise volcanic field, Yellowstone hotspot system

NASA Astrophysics Data System (ADS)

Bolte, Torsten; Holtz, Francois; Almeev, Renat; Nash, Barbara

2015-02-01

The magma storage conditions of the 6.62 Ma Blacktail Creek Tuff eruption, belonging to the Heise volcanic field (6.62-4.45 Ma old) of the Yellowstone hotspot system, have been investigated by combining thermobarometric and experimental approaches. The results from different geothermometers (e.g., Fe-Ti oxides, feldspar pairs, apatite and zircon solubility, and Ti in quartz) indicate a pre-eruptive temperature in the range 825-875 °C. The temperature estimated using two-pyroxene pairs varies in a range of 810-950 °C, but the pyroxenes are probably not in equilibrium with each other, and the analytical results of melt inclusion in pyroxenes indicate a complex history for clinopyroxene, which hosts two compositionally different inclusion types. One natural Blacktail Creek Tuff rock sample has been used to determine experimentally the equilibrium phase assemblages in the pressure range 100-500 MPa and a water activity range 0.1-1.0. The experiments have been performed at fluid-present conditions, with a fluid phase composed of H2O and CO2, as well as at fluid-absent conditions. The stability of the quartzo-feldspathic phases is similar in both types of experiments, but the presence of mafic minerals such as biotite and clinopyroxene is strongly dependent on the experimental approach. Possible explanations are given for this discrepancy which may have strong impacts on the choice of appropriate experimental approaches for the determination of magma storage conditions. The comparison of the composition of natural phases and of experimentally synthesized phases confirms magma storage temperatures of 845-875 °C. Melt water contents of 1.5-2.5 wt% H2O are required to reproduce the natural Blacktail Creek Tuff mineral assemblage at these temperatures. Using the Ti-in-quartz barometer and the Qz-Ab-Or proportions of natural matrix glasses, coexisting with quartz, plagioclase and sanidine, the depth of magma storage is estimated to be in a pressure range between 130 and 250 MPa.

Fast Abiotic Production of Methane at Temperatures Below 100°C

NASA Astrophysics Data System (ADS)

Etiope, G.; Ionescu, A.

2015-12-01

Fischer-Tropsch Type (FTT) reactions, e.g., the Sabatier synthesis between H2 and CO2, are considered a main source of abiotic methane on Earth and likely on other planets. Several laboratory FTT experiments demonstrated abiotic CH4 production at temperatures above 200°C, by using Fe, Ni or Cr catalysts, simulating hydrothermal conditions in peridotite-hosted systems in mid-ocean ridges. Nevertheless, at least on laboratory experiment time-scale, Fe-Ni-Cr catalysts do not support CH4 generation at T<100°C, such as those of land-based serpentinization systems. We have recently reported rapid production of considerable amounts of CH4 (>800 ppmv in 155 mL bottles after 1 day) via Sabatier reaction at 90, 50 and 25°C, using small concentrations of non-pretreated ruthenium (Ru) equivalent to those occurring in chromitites in continental ultramafic rocks (Etiope & Ionescu, 2014; Geofluids, doi:10.1111/gfl.12106). We have repeated the experiments by using 13C-enriched CO2 and we confirm fast production of CH4at percentage levels. The experiments performed so far show that: 1. considerable amounts of CH4can be produced in dry conditions below 100°C with small quantities of Ru; 2. under the same experimental conditions (<100°C), Fe, Ni and Cr oxides do not produce CH4; 3. low T Sabatier reaction can produce CH4 with a large C isotope fractionation between CO2 and CH4, leading to relatively " light" (13C-depleted) CH4, resembling microbial gas; 4. the CO2-CH4isotope separation decreases over time and by increasing the temperature; 5. minor amounts of C2-C6hydrocarbons are also generated. Our laboratory data are compatible with the isotopic patterns of CH4 naturally occurring in land-based seeps and springs. Our experiments suggest that Ru-enriched chromitites could potentially generate CH4 at low T. Since Ru is reported in Martian meteorites, low T abiotic CH4 production on Mars via Sabatier reaction cannot be excluded (Etiope et al. 2013, Icarus, 224, 276-285).

On the Formation of the C2H6O Isomers Ethanol (C2H5OH) and Dimethyl Ether (CH3OCH3) in Star-forming Regions

NASA Astrophysics Data System (ADS)

Bergantini, Alexandre; Maksyutenko, Pavlo; Kaiser, Ralf I.

2017-06-01

The structural isomers ethanol (CH3CH2OH) and dimethyl ether (CH3OCH3) were detected in several low-, intermediate-, and high-mass star-forming regions, including Sgr B2, Orion, and W33A, with the relative abundance ratios of ethanol/dimethyl ether varying from about 0.03 to 3.4. Until now, no experimental data regarding the formation mechanisms and branching ratios of these two species in laboratory simulation experiments could be provided. Here, we exploit tunable photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS) to detect and analyze the production of complex organic molecules (COMs) resulting from the exposure of water/methane (H2O/CH4) ices to energetic electrons. The main goal is to understand the formation mechanisms in star-forming regions of two C2H6O isomers: ethanol (CH3CH2OH) and dimethyl ether (CH3OCH3). The results show that the experimental branching ratios favor the synthesis of ethanol versus dimethyl ether (31 ± 11:1). This finding diverges from the abundances observed toward most star-forming regions, suggesting that production routes on interstellar grains to form dimethyl ether might be missing; alternatively, ethanol can be overproduced in the present simulation experiments, such as via radical-radical recombination pathways involving ethyl and hydroxyl radicals. Finally, the PI-ReTOF-MS data suggest the formation of methylacetylene (C3H4), ketene (CH2CO), propene (C3H6), vinyl alcohol (CH2CHOH), acetaldehyde (CH3CHO), and methyl hydroperoxide (CH3OOH), in addition to ethane (C2H6), methanol (CH3OH), and CO2 detected from infrared spectroscopy. The yield of all the confirmed species is also determined.

A dual-phase microstructural approach to damage and fracture of Ti3SiC2/SiC joints

NASA Astrophysics Data System (ADS)

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

2018-02-01

The microcracking mechanisms responsible for Ti3SiC2/SiC joint damage observed at the macroscopic scale after neutron irradiation experiments are investigated in detail. A dual-phase microstructural approach to damage and fracture of Ti3SiC2/SiC joints is developed that uses a finely discretized two-phase domain based on a digital image of an actual microstructure involving embedded Ti3SiC2 and SiC phases. The behaviors of SiC and Ti3SiC2 in the domain are described by the continuum damage mechanics (CDM) model reported in Nguyen et al., J. Nucl. Mater., 2017, 495:504-515. This CDM model describes microcracking damage in brittle ceramics caused by thermomechanical loading and irradiation-induced swelling. The dual-phase microstructural model is applied to predict the microcracking mechanisms occurring in a typical Ti3SiC2/SiC joint subjected to heating to 800 °C followed by irradiation-induced swelling at this temperature and cooling to room temperature after the applied swelling has reached the maximum swelling levels observed in the experiments for SiC and Ti3SiC2. The model predicts minor damage of the joint after heating but significant microcracking in the SiC phase and along the boundaries between SiC and Ti3SiC2 as well as along the bonding joint during irradiation-induced swelling and cooling to room temperature. These predictions qualitatively agree with the limited experimental observations of joint damage at this irradiation temperature.

Chemical compatibility between UO2 fuel and SiC cladding for LWRs. Application to ATF (Accident-Tolerant Fuels)

NASA Astrophysics Data System (ADS)

Braun, James; Guéneau, Christine; Alpettaz, Thierry; Sauder, Cédric; Brackx, Emmanuelle; Domenger, Renaud; Gossé, Stéphane; Balbaud-Célérier, Fanny

2017-04-01

Silicon carbide-silicon carbide (SiC/SiC) composites are considered to replace the current zirconium-based cladding materials thanks to their good behavior under irradiation and their resistance under oxidative environments at high temperature. In the present work, a thermodynamic analysis of the UO2±x/SiC system is performed. Moreover, using two different experimental methods, the chemical compatibility of SiC towards uranium dioxide, with various oxygen contents (UO2±x) is investigated in the 1500-1970 K temperature range. The reaction leads to the formation of mainly uranium silicides and carbides phases along with CO and SiO gas release. Knudsen Cell Mass Spectrometry is used to measure the gas release occurring during the reaction between UO2+x and SiC powders as function of time and temperature. These experimental conditions are representative of an open system. Diffusion couple experiments with pellets are also performed to study the reaction kinetics in closed system conditions. In both cases, a limited chemical reaction is observed below 1700 K, whereas the reaction is enhanced at higher temperature due to the decomposition of SiC leading to Si vaporization. The temperature of formation of the liquid phase is found to lie between 1850 < T < 1950 K.

Healing microstructures of experimental and natural fault gouge

NASA Astrophysics Data System (ADS)

Keulen, Nynke; Stünitz, Holger; Heilbronner, RenéE.

2008-06-01

The healing of fault gouge was studied by examining microstructures of naturally and experimentally produced granitoid fault rock. We performed deformation experiments on intact granitoid rock samples at T = 300-500°C, Pc = 500 MPa, and ? = 1.2 × 10-4 - 1.3 × 10-7 s-1 with 0.2 wt% H2O added. Healing experiments were carried out on deformed samples at T = 200-500°C, Pc = 500 MPa, for 4 h to 14 days under hydrostatic and nonhydrostatic conditions. The grain size distributions (GSD) of the deformed samples were quantified using the D> value (slope of log(frequency) -log(radius) of the GSD) for quartz and feldspar fault gouge. Healing causes a decrease in the D> value from >2.0 to ˜1.5. The time dependence of the D> decrease is described by a hydrostatic healing law of the form ΔD = D>(t) - Df = A · e(-λ·t). The results of the laboratory experiments were compared to three natural fault systems, (1) Nojima Fault Zone (Japan), (2) fault zones in the Black Forest (Germany), and (3) Orobic Thrust (Italian Alps). Natural and experimental gouges have similar D> values. Healing is only observed in monomineralic aggregates; polymineralic (i.e., mixed) fault gouges retain their high D> value after extended healing times because grain growth is inhibited. Healing under nonhydrostatic conditions is more rapid than hydrostatic healing. The low strain rates, which were measured during nonhydrostatic healing, are temperature-dependent and suggest that diffusive mass transfer processes take place during deformation. Thus, fault rocks at upper to midcrustal depth may deform by combined cataclasis and diffusive mass transfer.

CLIMATIC EFFECTS ON TUNDRA CARBON STORAGE INFERRED FROM EXPERIMENTAL DATA AND A MODEL

EPA Science Inventory

We used a process-based model of ecosystem carbon (C) and nitrogen (N)dynamics, MBL-GEM (Marine Biological Laboratory General Ecosystem Model), to integrated and analyze the results of several experiments that examined the response of arctic tussock tundra to manipulations of CO2...

IsoDesign: a software for optimizing the design of 13C-metabolic flux analysis experiments.

PubMed

Millard, Pierre; Sokol, Serguei; Letisse, Fabien; Portais, Jean-Charles

2014-01-01

The growing demand for (13) C-metabolic flux analysis ((13) C-MFA) in the field of metabolic engineering and systems biology is driving the need to rationalize expensive and time-consuming (13) C-labeling experiments. Experimental design is a key step in improving both the number of fluxes that can be calculated from a set of isotopic data and the precision of flux values. We present IsoDesign, a software that enables these parameters to be maximized by optimizing the isotopic composition of the label input. It can be applied to (13) C-MFA investigations using a broad panel of analytical tools (MS, MS/MS, (1) H NMR, (13) C NMR, etc.) individually or in combination. It includes a visualization module to intuitively select the optimal label input depending on the biological question to be addressed. Applications of IsoDesign are described, with an example of the entire (13) C-MFA workflow from the experimental design to the flux map including important practical considerations. IsoDesign makes the experimental design of (13) C-MFA experiments more accessible to a wider biological community. IsoDesign is distributed under an open source license at http://metasys.insa-toulouse.fr/software/isodes/ © 2013 Wiley Periodicals, Inc.

Hydrogen production from bio-fuels using precious metal catalysts

NASA Astrophysics Data System (ADS)

Pasel, Joachim; Wohlrab, Sebastian; Rotov, Mikhail; Löhken, Katrin; Peters, Ralf; Stolten, Detlef

2017-11-01

Fuel cell systems with integrated autothermal reforming unit require active and robust catalysts for H2 production. Thus, an experimental screening of catalysts for autothermal reforming of commercial biodiesel fuel was performed. Catalysts consisted of a monolithic cordierite substrate, an oxide support (γ-Al2O3) and Pt, Ru, Ni, PtRh and PtRu as active phase. Experiments were run by widely varying the O2/C and H2O/C molar ratios at different gas hourly space velocities. Fresh and aged catalysts were characterized by temperature programmed methods and thermogravimetry to find correlations with catalytic activity and stability.

Carbon dioxide photolysis from 150 to 210 nm: singlet and triplet channel dynamics, UV-spectrum, and isotope effects.

PubMed

Schmidt, Johan A; Johnson, Matthew S; Schinke, Reinhard

2013-10-29

We present a first principles study of the carbon dioxide (CO2) photodissociation process in the 150- to 210-nm wavelength range, with emphasis on photolysis below the carbon monoxide + singlet channel threshold at ~167 nm. The calculations reproduce experimental absorption cross-sections at a resolution of ~0.5 nm without scaling the intensity. The observed structure in the 150- to 210-nm range is caused by excitation of bending motion supported by the deep wells at bent geometries in the and potential energy surfaces. Predissociation below the singlet channel threshold occurs via spin-orbit coupling to nearby repulsive triplet states. Carbon monoxide vibrational and rotational state distributions in the singlet channel as well as the triplet channel for excitation at 157 nm satisfactorily reproduce experimental data. The cross-sections of individual CO2 isotopologues ((12)C(16)O2, (12)C(17)O(16)O, (12)C(18)O(16)O, (13)C(16)O2, and (13)C(18)O(16)O) are calculated, demonstrating that strong isotopic fractionation will occur as a function of wavelength. The calculations provide accurate, detailed insight into CO2 photoabsorption and dissociation dynamics, and greatly extend knowledge of the temperature dependence of the cross-section to cover the range from 0 to 400 K that is useful for calculations of propagation of stellar light in planetary atmospheres. The model is also relevant for the interpretation of laboratory experiments on mass-independent isotopic fractionation. Finally, the model shows that the mass-independent fractionation observed in a series of Hg lamp experiments is not a result of hyperfine interactions making predissociation of (17)O containing CO2 more efficient.

Carbon dioxide photolysis from 150 to 210 nm: Singlet and triplet channel dynamics, UV-spectrum, and isotope effects

PubMed Central

Schmidt, Johan A.; Johnson, Matthew S.; Schinke, Reinhard

2013-01-01

We present a first principles study of the carbon dioxide (CO2) photodissociation process in the 150- to 210-nm wavelength range, with emphasis on photolysis below the carbon monoxide + singlet channel threshold at ∼167 nm. The calculations reproduce experimental absorption cross-sections at a resolution of ∼0.5 nm without scaling the intensity. The observed structure in the 150- to 210-nm range is caused by excitation of bending motion supported by the deep wells at bent geometries in the and potential energy surfaces. Predissociation below the singlet channel threshold occurs via spin-orbit coupling to nearby repulsive triplet states. Carbon monoxide vibrational and rotational state distributions in the singlet channel as well as the triplet channel for excitation at 157 nm satisfactorily reproduce experimental data. The cross-sections of individual CO2 isotopologues (12C16O2, 12C17O16O, 12C18O16O, 13C16O2, and 13C18O16O) are calculated, demonstrating that strong isotopic fractionation will occur as a function of wavelength. The calculations provide accurate, detailed insight into CO2 photoabsorption and dissociation dynamics, and greatly extend knowledge of the temperature dependence of the cross-section to cover the range from 0 to 400 K that is useful for calculations of propagation of stellar light in planetary atmospheres. The model is also relevant for the interpretation of laboratory experiments on mass-independent isotopic fractionation. Finally, the model shows that the mass-independent fractionation observed in a series of Hg lamp experiments is not a result of hyperfine interactions making predissociation of 17O containing CO2 more efficient. PMID:23776249

Progress and Challenges in Predicting Crop Responses to Atmospheric [CO2

NASA Astrophysics Data System (ADS)

Kent, J.; Paustian, K.

2017-12-01

Increasing atmospheric [CO2] directly accelerates photosynthesis in C3 crops, and indirectly promotes yields by reducing stomatal conductance and associated water losses in C3 and C4 crops. Several decades of experiments have exposed crops to eCO2 in greenhouses and other enclosures and observed yield increases on the order of 33%. FACE systems were developed in the early 1990s to better replicate open-field growing conditions. Some authors contend that FACE results indicate lower crop yield responses than enclosure studies, while others maintain no significant difference or attribute differences to various methodological factors. The crop CO2 response processes in many crop models were developed using results from enclosure experiments. This work tested the ability of one such model, DayCent, to reproduce crop responses to CO2 enrichment from several FACE experiments. DayCent performed well at simulating yield and transpiration responses in C4 crops, but significantly overestimated yield responses in C3 crops. After adjustment of CO2-response parameters, DayCent was able to reproduce mean yield responses for specific crops. However, crop yield responses from FACE experiments vary widely across years and sites, and likely reflect complex interactions between conditions such as weather, soils, cultivars, and biotic stressors. Further experimental work is needed to identify the secondary variables that explain this variability so that models can more reliably forecast crop yields under climate change. Likewise, CO2 impacts on crop outcomes such as belowground biomass allocation and grain N content have implications for agricultural C fluxes and human nutrition, respectively, but are poorly understood and thus difficult to simulate with confidence.

Experimental analysis to improving thermosyphon (TPCT) thermal efficiency using nanoparticles/based fluids (water)

NASA Astrophysics Data System (ADS)

Hoseinzadeh, S.; Sahebi, S. A. R.; Ghasemiasl, R.; Majidian, A. R.

2017-05-01

In the present study an experimental set-up is used to investigate the effect of a nanofluid as a working fluid to increase thermosyphon efficiency. Nanofluids are a new form of heat transfer media prepared by suspending metallic and nonmetallic nanoparticles in a base fluid. The nanoparticles added to the fluid enhance the thermal characteristics of the base fluid. The nanofluid used in this experiment was a mixture of water and nanoparticles prepared with 0.5%, 1%, 1.5%, or 2% (v) concentration of silicon carbide (SiC) nanoparticles and 1%, 2% and 3% (v) concentration of aluminum oxide (Al2O3) in an ultrasonic homogenizer. The results indicate that the SiC/water and Al2O3/water nanofluids increase the thermosyphon performance. The efficiency of the thermosyphon using the 2% (v) (SiC) nanoparticles nanofluid was 1.11 times that of pure water and the highest efficiency occurs for the 3% (Al2O3) nanoparticle concentration with input power of 300 W. The decrease in the temperature difference between the condenser and evaporator confirms these enhancements.

Evaluation of HIFU-induced lesion region using temperature threshold and equivalent thermal dose methods

NASA Astrophysics Data System (ADS)

Chang, Shihui; Xue, Fanfan; Zhou, Wenzheng; Zhang, Ji; Jian, Xiqi

2017-03-01

Usually, numerical simulation is used to predict the acoustic filed and temperature distribution of high intensity focused ultrasound (HIFU). In this paper, the simulated lesion volumes obtained by temperature threshold (TRT) 60 °C and equivalent thermal dose (ETD) 240 min were compared with the experimental results which were obtained by animal tissue experiment in vitro. In the simulation, the calculated model was established according to the vitro tissue experiment, and the Finite Difference Time Domain (FDTD) method was used to calculate the acoustic field and temperature distribution in bovine liver by the Westervelt formula and Pennes bio-heat transfer equation, and the non-linear characteristics of the ultrasound was considered. In the experiment, the fresh bovine liver was exposed for 8s, 10s, 12s under different power conditions (150W, 170W, 190W, 210W), and the exposure was repeated 6 times under the same dose. After the exposures, the liver was sliced and photographed every 0.2mm, and the area of the lesion region in every photo was calculated. Then, every value of the areas was multiplied by 0.2mm, and summed to get the approximation volume of the lesion region. The comparison result shows that the lesion volume of the region calculated by TRT 60 °C in simulation was much closer to the lesion volume obtained in experiment, and the volume of the region above 60 °C was larger than the experimental results, but the volume deviation was not exceed 10%. The volume of the lesion region calculated by ETD 240 min was larger than that calculated by TRT 60 °C in simulation, and the volume deviations were ranged from 4.9% to 23.7%.

Experimental high temperature carbon isotope fractionation involving graphite

NASA Astrophysics Data System (ADS)

Kueter, N.; Schmidt, M. W.; Lilley, M. D.; Bernasconi, S. M.

2016-12-01

Graphite/carbonate carbon isotope fractionation was mainly investigated at 400- 800°C and is based on empirical calibrations, theoretical calculations and few experiments [1,2]. Own work on COH-fluid/graphite isotope fractionation shows that in experiments up to 1000oC a fluid phase is always enriched in 13C compared to coexisting graphitic carbon. The eventual kinetic isotope effect in these experiments is best displayed by the graphitic carbon being at least 3 ‰ lighter than methane. Only few experiments done in the graphite/carbonate pair dealt with higher temperatures reaching 1400°C, indicating a fractionation of up to 2 ‰ at temperatures of the Earth's mantle [2-4]. To better understand carbon isotope fractionation in crustal systems and still overcome kinetic effects, we study the graphite/carbonatite pair with piston cylinder experiments in the Na2CO3-CaCO3-CaO-COH system. Tartaric acid (C4H6O6) supplies reduced carbon, time series are performed at 10 kbar, 1300-1800°C. Initial experiments at 1300°C produce well-ordered, micron-sized graphite flakes growing attached to the capsule walls while the Na-Ca-carbonatite-melt quenches to dendritic textures. No gaseous phase was observed. Conditions well above the liquidus of the Na2CO3-CaCO3-binary lead to dissolution of the H2O from tartaric acid decomposition in the melt, any CO2-component is bound by the excess CaO to CaCO3melt while in the relatively oxidizing capsule environment any CH4-component reacts with CO2 to carbon and H2O. The graphite and the carbonatite quench are measured for their δ13C composition using a GasBench II (carbonate-dissolution in phosphoric acid) and TC/EA (residual graphite combusted in oxygen atmosphere) system coupled to a Thermo Fischer IRMS. Our results expand from the graphite-carbonate system to graphite-fluid system when adding available fluid-carbonate fractionation factors, but are also directly applicable to diamond synthesis as graphite is often found as a precursor phase in diamond-growth experiments in carbonatite systems and natural diamonds. [1] Chacko et al. (2001) Rev Min Geochem; Deines & Eggler (2009) GCA; [3] Scheele & Hoefs (1992) CMP; [4] Chacko et al. (1991) GCA

Carbon K-edge X-ray absorption spectroscopy and time-dependent density functional theory examination of metal-carbon bonding in metallocene dichlorides.

PubMed

Minasian, Stefan G; Keith, Jason M; Batista, Enrique R; Boland, Kevin S; Kozimor, Stosh A; Martin, Richard L; Shuh, David K; Tyliszczak, Tolek; Vernon, Louis J

2013-10-02

Metal-carbon covalence in (C5H5)2MCl2 (M = Ti, Zr, Hf) has been evaluated using carbon K-edge X-ray absorption spectroscopy (XAS) as well as ground-state and time-dependent hybrid density functional theory (DFT and TDDFT). Differences in orbital mixing were determined experimentally using transmission XAS of thin crystalline material with a scanning transmission X-ray microscope (STXM). Moving down the periodic table (Ti to Hf) has a marked effect on the experimental transition intensities associated with the low-lying antibonding 1a1* and 1b2* orbitals. The peak intensities, which are directly related to the M-(C5H5) orbital mixing coefficients, increase from 0.08(1) and 0.26(3) for (C5H5)2TiCl2 to 0.31(3) and 0.75(8) for (C5H5)2ZrCl2, and finally to 0.54(5) and 0.83(8) for (C5H5)2HfCl2. The experimental trend toward increased peak intensity for transitions associated with 1a1* and 1b2* orbitals agrees with the calculated TDDFT oscillator strengths [0.10 and 0.21, (C5H5)2TiCl2; 0.21 and 0.73, (C5H5)2ZrCl2; 0.35 and 0.69, (C5H5)2HfCl2] and with the amount of C 2p character obtained from the Mulliken populations for the antibonding 1a1* and 1b2* orbitals [8.2 and 23.4%, (C5H5)2TiCl2; 15.3 and 39.7%, (C5H5)2ZrCl2; 20.1 and 50.9%, (C5H5)2HfCl2]. The excellent agreement between experiment, theory, and recent Cl K-edge XAS and DFT measurements shows that C 2p orbital mixing is enhanced for the diffuse Hf (5d) and Zr (4d) atomic orbitals in relation to the more localized Ti (3d) orbitals. These results provide insight into how changes in M-Cl orbital mixing within the metallocene wedge are correlated with periodic trends in covalent bonding between the metal and the cyclopentadienide ancillary ligands.

Composition of COH fluids at 1 GPa: an experimental study on speciation and solubility

NASA Astrophysics Data System (ADS)

Tiraboschi, Carla; Tumiati, Simone; Recchia, Sandro; Ulmer, Peter; Pettke, Thomas; Fumagalli, Patrizia; Poli, Stefano

2014-05-01

COH fluids play a fundamental role in many geological processes, controlling the location of melting in subduction zones and promoting mass transfer from the subducting litosphere to the overlying mantle wedge. The properties of COH fluids are strictly dependent on the composition of the fluid in subduction systems, i.e., the speciation of the volatile components of the fluid itself and the presence of solutes deriving from the dissolution of rock-forming minerals. In the scientific literature, the speciation of COH fluids has been generally determined through thermodynamic calculations using equations of state of simple H2O-non-polar gas systems (e.g., H2O-CO2-CH4), equations that do not consider the complexity related to dissolution processes, which are substantially unexplored in COH fluids and limited so far to aqueous fluids (Newton & Manning, 2002). The aim of this work is to investigate experimentally the speciation and the dissolution of mantle minerals in carbon-saturated COH fluids at buffered fO2 conditions. Our experimental approach relies on two different techniques: 1) analysis by means of quadrupole mass spectrometer (QMS) of the fluids from pierced run capsules to retrieve speciation of volatile components and 2) analysis of frozen COH fluid with laser-ablation inductively coupled plasma-mass spectrometry (LA-ICP-MS) to measure the amount of solutes. Experiments were conducted at pressure of 1 GPa and temperatures from 800 to 900° C using a rocking piston cylinder apparatus. Mantle minerals in equilibrium with COH fluid are represented by synthetic forsterite. fO2 conditions were controlled using the double capsule technique and NNO buffer (ΔFMQ=-0.61 at 800° C; ΔFMQ =-0.98 at 900° C). For the speciation experiments, oxalic acid dihydrate and graphite have been used to generate carbon-saturated COH fluid. The speciation was determined by analyzing the quenched COH fluid, retrieved by piercing the capsule in a gas-tight vessel at T =80° C and convoying evolved gases to a QMS through a heated line to avoid the condensation of water. This type of analyzer ensures superior performances in terms of selectivity of molecules to be detected, high acquisition rates and extended linear response range. The influence of dissolved solutes on fluid speciation has been evaluated by comparing experiments in the pure COH system and in the COH+forsterite system. To determine the solubility of forsterite in COH fluids we performed a second set of experiments at the same P , T and fO2 conditions above. Fluids trapped in a diamond layer were analysed by the cryogenic LA-ICP-MS technique described by Aerts et al. (2010). With this method the aqueous part of the COH fluid is frozen prior the opening and maintained frozen during the analysis to avoid any precipitation of solutes. The results will highlight the importance of fluids for the mass transport in subduction zones. Comparison between experimental data and thermodynamic calculation will also be shown. References: Aerts, M., Hack, A.C., Reusser, E., Ulmer, P. (2010) Am. Mineral. 95, 1523-1526. Newton, R.C., Manning, C.E. (2002) Geochim. Cosmochim. Ac. 66, 4165-4176.

Anchoring the Gas-Phase Acidity Scale from Hydrogen Sulfide to Pyrrole. Experimental Bond Dissociation Energies of Nitromethane, Ethanethiol, and Cyclopentadiene.

PubMed

Ervin, Kent M; Nickel, Alex A; Lanorio, Jerry G; Ghale, Surja B

2015-07-16

A meta-analysis of experimental information from a variety of sources is combined with statistical thermodynamics calculations to refine the gas-phase acidity scale from hydrogen sulfide to pyrrole. The absolute acidities of hydrogen sulfide, methanethiol, and pyrrole are evaluated from literature R-H bond energies and radical electron affinities to anchor the scale. Relative acidities from proton-transfer equilibrium experiments are used in a local thermochemical network optimized by least-squares analysis to obtain absolute acidities of 14 additional acids in the region. Thermal enthalpy and entropy corrections are applied using molecular parameters from density functional theory, with explicit calculation of hindered rotor energy levels for torsional modes. The analysis reduces the uncertainties of the absolute acidities of the 14 acids to within ±1.2 to ±3.3 kJ/mol, expressed as estimates of the 95% confidence level. The experimental gas-phase acidities are compared with calculations, with generally good agreement. For nitromethane, ethanethiol, and cyclopentadiene, the refined acidities can be combined with electron affinities of the corresponding radicals from photoelectron spectroscopy to obtain improved values of the C-H or S-H bond dissociation energies, yielding D298(H-CH2NO2) = 423.5 ± 2.2 kJ mol(-1), D298(C2H5S-H) = 364.7 ± 2.2 kJ mol(-1), and D298(C5H5-H) = 347.4 ± 2.2 kJ mol(-1). These values represent the best-available experimental bond dissociation energies for these species.

Bentonite Clay Evolution at Elevated Pressures and Temperatures: An experimental study for generic nuclear repositories

NASA Astrophysics Data System (ADS)

Caporuscio, F. A.; Cheshire, M.; McCarney, M.

2012-12-01

The Used Fuel Disposition Campaign is presently engaged in looking at various generic repository options for disposal of used fuel. Of interest are the disposal of high heat load canisters ,which may allow for a reduced repository footprint. The focus of this experimental work is to characterize Engineered Barrier Systems (EBS) conditions in repositories. Clay minerals - as backfill or buffer materials - are critical to the performance of the EBS. Experiments were performed in Dickson cells at 150 bar and sequentially stepped from 125 oC to 300 oC over a period of ~1 month. An unprocessed bentonite from Colony, Wyoming was used as the buffer material in each experiment. An K-Ca-Na-Cl-rich brine (replicating deep Stripa groundwater) was used at a 9:1 water:rock ratio. The baseline experiment contained brine + clay, while three other experiments contained metals that could be used as waste form canisters (brine +clay+304SS, brine+clay+316SS, brine+clay+Cu). All experiments were buffered at the Mt-Fe oxygen fugacity univarient line. As experiment temperature increased and time progressed, pH, K and Ca ion concentrations dropped, while Si, Na, and SO4 concentrations increased. Silicon was liberated into the fluid phase (>1000 ppm) and precipitated during the quenching of the experiment. The precipitated silica transformed to cristobalite as cooling progressed. Potassium was mobilized and exchanged with interlayer Na, transitioning the clay from Na-montmorillonite to K-smectite. Though illitization was not observed in these experiments, its formation may be kinetically limited and longer-term experiments are underway to evaluate the equilibrium point in this reaction. Clinoptilolite present in the starting bentonite mixture is unstable above 150 oC. Hence, the zeolite broke down at high temperatures but recrystallized as the quench event occurred. This was borne out in SEM images that showed clinoptilolite as a very late stage growth mineral. Both experimental runs containing steel exhibit the generation of a chlorite / Fe-saponite layer at the clay-metal boundary. The formation of minor amounts of pentlandite [(Fe,Ni)9S8] also occurs on both steel plates. Chalcocite (Cu2S) formed as a corrosion product on the Cu plates. The two sulfide phases have been produced by the generation of H2S gas during the experimental runs. The H2S is formed by the breakdown of pyrite framboids at high temperature in the bentonite. Such experiments on representative EBS materials at elevated P,T repository conditions are providing useful information for generic repository studies. Lack of illite formation is common in clay experiments and may be related to kinetics or K concentration. Precipitated SiO2 may potentially seal heating cracks in the clay backfill. The chlorite layer generated on steel may act as a passivation material and prevent corrosion of the steel canister wall. Finally, even if zeolites break down during the high temperature thermal pulse of a repository, zeolites may form again as the repository inventory cools off and perform as radionuclide sorbing phases.

The retrieval of atmospheric constituent mixing-ratio profiles from solar absorption spectra. Ph.D. Thesis. Interim Technical Report

NASA Technical Reports Server (NTRS)

Shaffer, W. A.

1983-01-01

Methods used to determine various atmospheric gas distributions are summarized. The experimentally determined mixing ratio profiles (the mixing ratio of a gas is the ratio of the number of gas molecules to the number of air molecules) of some atmospheric gases are shown. In most in situ experiments stratospheric gas samples are collected at several altitudes by balloon, aircraft, or rocket. These samples are then analyzed by various methods. Mixing ratio profiles of Ci, ClO, and OH were determined by laser induced fluorescence of samples. Others have analyzed gas samples by gas chromatography in order to determine the molecular abundances of CCl2F2, CCl4, CCl3F, CFCl3, CF2Cl2, CHClF2, CH3CCl3, CH4, CO, C2Cl3F3, C2Cl4, C2HCl3, C2H2, C2H4, C2H6, C3H8, C6H6, C7H8, H2, and N2O.

The shapes of fragments in hypervelocity impact experiments ranging from cratering to catastrophic disruption

NASA Astrophysics Data System (ADS)

Michikami, T.; Hagermann, A.; Kadokawa, T.; Yoshida, A.; Shimada, A.; Hasegawa, S.; Tsuchiyama, A.

2015-12-01

Laboratory impact experiments have found that the shapes of impact fragments as defined by axes a, b and c, these being the maximum dimensions of the fragment in three mutually orthogonal planes (a ≥ b ≥ c) are distributed around mean values of the axial ratios b/a ~0.7 and c/a ~0.5, i.e., corresponding to a : b: c in the simple proportion 2: √2: 1. The shape distributions of some boulders on asteroid Eros, the small- and fast-rotating asteroids (diameter < 200 m and rotation period < 1 h), and asteroids in young families, are similar to those of laboratory fragments in catastrophic disruption. However, the shapes of laboratory fragments were obtained from the experiments that　resulted in catastrophic disruption, a process that is different from impact cratering. In order to systematically investigate the shapes of fragments in the range from impact cratering to catastrophic disruption, impact experiments for basalt targets 5 to 15 cm in size were performed. A total of 28 impact experiments were carried out by a spherical nylon projectile (diameter 7.14 mm) perpendicularly into the target surface at velocities of 1.6 to 7.0 km/s. More than 13,000 fragments with b ≥ 4 mm generated in the impact experiments were measured. In the experiments, the mean value of c/a in each impact decreases with decreasing impact energy per unit target mass. For instance, the mean value of c/a in an impact cratering event is nearly 0.2, which is less than that c/a in a catastrophic disruption (~0.5). To apply the experimental results to real collisions on asteroids, we investigated the shapes of 21 arbitrarily selected boulders (> 8 m) on asteroid Itokawa. The mean value of c/a of these boulders is 0.46, which is similar to the value for catastrophic disruption. This implies that the parent body of Itokawa could have experienced a catastrophic disruption.

Experimental investigation on thermochemical sulfate reduction by H2S initiation

USGS Publications Warehouse

Zhang, T.; Amrani, A.; Ellis, G.S.; Ma, Q.; Tang, Y.

2008-01-01

Hydrogen sulfide (H2S) is known to catalyze thermochemical sulfate reduction (TSR) by hydrocarbons (HC), but the reaction mechanism remains unclear. To understand the mechanism of this catalytic reaction, a series of isothermal gold-tube hydrous pyrolysis experiments were conducted at 330 ??C for 24 h under a constant confining pressure of 24.1 MPa. The reactants used were saturated HC (sulfur-free) and CaSO4 in the presence of variable H2S partial pressures at three different pH conditions. The experimental results showed that the in-situ pH of the aqueous solution (herein, in-situ pH refers to the calculated pH of aqueous solution under the experimental conditions) can significantly affect the rate of the TSR reaction. A substantial increase in the TSR reaction rate was recorded with a decrease in the in-situ pH value of the aqueous solution involved. A positive correlation between the rate of TSR and the initial partial pressure of H2S occurred under acidic conditions (at pH ???3-3.5). However, sulfate reduction at pH ???5.0 was undetectable even at high initial H2S concentrations. To investigate whether the reaction of H2S(aq) and HSO4- occurs at pH ???3, an additional series of isothermal hydrous pyrolysis experiments was conducted with CaSO4 and variable H2S partial pressures in the absence of HC at the same experimental temperature and pressure conditions. CaSO4 reduction was not measurable in the absence of paraffin even with high H2S pressure and acidic conditions. These experimental observations indicate that the formation of organosulfur intermediates from H2S reacting with hydrocarbons may play a significant role in sulfate reduction under our experimental conditions rather than the formation of elemental sulfur from H2S reacting with sulfate as has been suggested previously (Toland W. G. (1960) Oxidation of organic compounds with aqueous sulphate. J. Am. Chem. Soc. 82, 1911-1916). Quantification of labile organosulfur compounds (LSC), such as thiols and sulfides, was performed on the products of the reaction of H2S and HC from a series of gold-tube non-isothermal hydrous pyrolysis experiments conducted at about pH 3 from 300 to 370 ??C and a 0.1-??C/h heating rate. Incorporation of sulfur into HC resulted in an appreciable amount of thiol and sulfide formation. The rate of LSC formation positively correlated with the initial H2S pressure. Thus, we propose that the LSC produced from H2S reaction with HC are most likely the reactive intermediates for H2S initiation of sulfate reduction. We further propose a three-step reaction scheme of sulfate reduction by HC under reservoir conditions, and discuss the geological implications of our experimental findings with regard to the effect of formation water and oil chemistry, in particular LSC content. ?? 2008 Elsevier Ltd. All rights reserved.

Interferon stimulated genes as peripheral diagnostic markers of early pregnancy in sheep: a critical assessment.

PubMed

Mauffré, V; Grimard, B; Eozenou, C; Inghels, S; Silva, L; Giraud-Delville, C; Capo, D; Sandra, O; Constant, F

2016-11-01

We investigated the diagnostic reliability of pregnancy detection using changes in interferon stimulated gene (ISG) messenger RNA (mRNA) levels in circulating immune cells in ewes. Two different groups of ewes (an experimental group, experiment 1 and a farm group, experiment 2) were oestrus-synchronized and blood sampled on day 14 (D0=day of insemination in control animals, experiment 1) and day 15 (experiment 2). Real-time PCR were performed to evaluate the abundance of different ISG mRNAs. In the experimental group, peripheral blood mononuclear cells of 29 ewes born and bred in experimental facilities were isolated using a Percoll gradient method. Gene expression for Chemokine (C-X-C motif) ligand 10 (CXCL10), Myxovirus (influenza virus) resistance 1 (MX1) and Signal transducer and activator of transcription 1 (STAT1) mRNA were, respectively, 8.3-fold, 6.1-fold and 2.7-fold higher (P0.10) in CXCL10, STAT1, MX1, Myxovirus (influenza virus) resistance 2 (MX2) and ISG15 ubiquitin-like modifier (ISG15) mRNA expression were found between pregnant and non-pregnant ewes. The ROC curves and the hierarchical classification generated from the real-time PCR data failed to discriminate between pregnant and non-pregnant animals. In this group of animals, our results show a strong variability in ISG expression patterns: 17% of animals identified as non-pregnant by the five tests were in fact pregnant, only 52% of pregnant animals had at least two positive results (two genes above threshold), whereas up to five positive results (five genes above threshold) were needed to avoid misclassification. In conclusion, this study illustrates the high variability in ISG expression levels in immune circulating cells during early pregnancy and, therefore, highlights the limits of using ISG expression levels in blood samples, collected on PAXgene® tubes on farms, for early pregnancy detection in sheep.

Critical review of carbon monoxide pressure measurements in the uranium carbon oxygen ternary system

NASA Astrophysics Data System (ADS)

Gossé, S.; Guéneau, C.; Chatillon, C.; Chatain, S.

2006-06-01

For high temperature reactors (HTR), the high level of fuel operating temperature in normal and accidental conditions requires to predict the possible chemical interactions between the fuel components. Among the concerns of the TRISO fuel particle thermomechanical behavior, it is necessary to better understand the carbon monoxide formation due to chemical interactions at the UO2 kernel and graphite buffer's interface. In a first step, the thermodynamic properties of the U-C-O system have to be assessed. The experimental data from literature on the equilibrium CO gas pressure measurements in the UO2-UC2-C ternary section of the U-C-O system are critically reviewed. Discrepancies between the different determinations can be explained - (i) by the different gaseous flow regimes in the experiments and - (ii) by the location of the measuring pressure gauge away from the reaction site. Experimental values are corrected - (i) from the gaseous flow type (molecular, transition or viscous) defined by the Knudsen number and - (ii) from the thermomolecular effect due to the temperature gradient inside the experimental vessels. Taking account of the selected and corrected values improves greatly the consistency of the original set of measurements.

Experimental dehydration of natural obsidian and estimation of DH2O at low water contents

NASA Technical Reports Server (NTRS)

Jambon, A.; Zhang, Y.; Stolper, E. M.

1992-01-01

Water diffusion experiments were carried out by dehydrating rhyolitic obsidian from Valles Caldera (New Mexico, USA) at 510-980 degrees C. The starting glass wafers contained approximately 0.114 wt% total water, lower than any glasses previously investigated for water diffusion. Weight loss due to dehydration was measured as a function of experiment duration, which permits determination of mean bulk water diffusivity, mean Dw. These diffusivities are in the range of 2.6 to 18 X 10(-14) m2/s and can be fit with the following Arrhenius equation: ln mean Dw (m2/s) = -(25.10 +/- 1.29) - (46,480 +/- 11,400) (J/mol) / RT, except for two replicate runs at 510 degrees C which give mean Dw values much lower than that defined by the above equation. When interpreted according to a model of water speciation in which molecular H2O is the diffusing species with concentration-independent diffusivity while OH units do not contribute to the transport but react to provide H2O, the data (except for the 510 degrees C data) are in agreement with extrapolation from previous results and hence extend the previous data base and provide a test of the applicability of the model to very low water contents. Mean bulk water diffusivities are about two orders of magnitude less than molecular H2O diffusivities because the fraction of molecular H2O out of total water is very small at 0.114 wt% total water and less. The 510 degrees C experimental results can be interpreted as due to slow kinetics of OH to H2O interconversion at low temperatures.

Experimental dehydration of natural obsidian and estimation of DH2O at low water contents.

PubMed

Jambon, A; Zhang, Y; Stolper, E M

1992-01-01

Water diffusion experiments were carried out by dehydrating rhyolitic obsidian from Valles Caldera (New Mexico, USA) at 510-980 degrees C. The starting glass wafers contained approximately 0.114 wt% total water, lower than any glasses previously investigated for water diffusion. Weight loss due to dehydration was measured as a function of experiment duration, which permits determination of mean bulk water diffusivity, mean Dw. These diffusivities are in the range of 2.6 to 18 X 10(-14) m2/s and can be fit with the following Arrhenius equation: ln mean Dw (m2/s) = -(25.10 +/- 1.29) - (46,480 +/- 11,400) (J/mol) / RT, except for two replicate runs at 510 degrees C which give mean Dw values much lower than that defined by the above equation. When interpreted according to a model of water speciation in which molecular H2O is the diffusing species with concentration-independent diffusivity while OH units do not contribute to the transport but react to provide H2O, the data (except for the 510 degrees C data) are in agreement with extrapolation from previous results and hence extend the previous data base and provide a test of the applicability of the model to very low water contents. Mean bulk water diffusivities are about two orders of magnitude less than molecular H2O diffusivities because the fraction of molecular H2O out of total water is very small at 0.114 wt% total water and less. The 510 degrees C experimental results can be interpreted as due to slow kinetics of OH to H2O interconversion at low temperatures.

Double electron capture of {sup 106}Cd in the TGV-2 experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rukhadze, N. I.; Egorov, V. G.; Kovalik, A.

2015-10-28

A new experimental run of searching for EC/EC decay of {sup 106}Cd was performed at the Modane underground laboratory (4800 m w.e.) using the TGV-2 spectrometer and ∼23.2 g {sup 106}Cd with enrichment of 99.57%. The limit on 2νEC/EC decay of {sup 106}Cd - T{sub 1/2}(2νEC/EC) > 3.1×10{sup 20} y, at 90% C.L was obtained from the preliminary calculation of experimental data accumulated for 7018 h of measurement. The limits on the resonance neutrino-less double electron capture decay of {sup 106}Cd were obtained from the measurement of ∼23.2 g of {sup 106}Cd with the low-background HPGe spectrometer OBELIX lasted 395more » h - T{sub 1/2}(KL, 2741 keV) > 0.9×10{sup 20} y and T{sub 1/2}(KK, 2718 keV) > 1.4×10{sup 20} y at 90% C.L.« less

The influence of CaCl{sub 2} on the kinetics of the reaction 1 tremolite + 3 calcite + 2 quartz {yields} 5 diopside + 3 CO{sub 2} + 1 H{sub 2}O. An experimental investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Winkler, U.; Luettge, A.

1999-05-01

The effects of temperature and CaCl{sub 2} concentration on the kinetics of this mineral reaction were studied experimentally in cold sealed pressure vessels. Results were obtained in 130 runs under conditions equivalent to medium pressure amphibolite facies. Experiments were performed with and without CaCl{sub 2} dissolved in a supercritical CO{sub 2} - H{sub 2}O mixture (CaCl{sub 2} = 0 to 0.5 mol/l water; X{sub CO{sub 2}} = 0.75 and 0.25). The pressure was 5 {+-} 0.05 kb, and the temperatures ranged from 630 to 720 C ({+-}3 C), with six different temperature oversteps of 13 up to 103 C abovemore » the equilibrium temperature at 617 C. Percent conversion, measured by CO{sub 2} production as a function of time for a period of up to 34 days (816 hrs), is presented, and the appropriate reaction rate constants (up to k = 5 x 10{sup {minus}8} mol/m{sup 2} sec) as well as the apparent activation energies (E{sub app} = 255--470 kJ/mol) are extracted from the measured data. The observed asymmetric sigmoidal shape of all conversion versus time curves indicates changes in the rate-limiting process during the reaction. The development of the overall kinetics as a result of the combination of the different sub-processes (dissolution, nucleation, and growth of reactants and product) are discussed. Analysis of the experimental results shows that the reaction rates obtained from a chloride-bearing fluid are an order of magnitude larger than those obtained from chloride-free experiments. The implications for natural systems are quite important, because their results suggest that reaction rates may indeed be much faster than originally expected. Additionally, there seems to be evidence that nucleation starts earlier and is increased in the presence of a fluid that has even a low chloride content.« less

Differential cross sections for excitation of H 2 by low-energy electron impact

DOE PAGES

Hargreaves, Leigh R.; Bhari, S.; Adjari, B.; ...

2017-10-31

Experimental and theoretical differential cross sections (DCS) for the electron-impact excitation of molecular hydrogen to themore » $$B{}^{1}{{\\rm{\\Sigma }}}_{u}^{+}$$, $$c{}^{3}{{\\rm{\\Pi }}}_{u}$$, $$a{}^{3}{{\\rm{\\Sigma }}}_{g}^{+}$$, $$C{}^{1}{{\\rm{\\Pi }}}_{u}$$, and the $$E(F){}^{1}{{\\rm{\\Sigma }}}_{g}^{+}$$ states are presented at incident energies near to threshold. The experimental DCSs were taken at incident energies of 14, 15, 16 and 17.5 eV and for scattering angles from 10° to 130°. In conclusion, the theoretical DCSs are from the convergent close-coupling method which has recently successfully modeled differential electron scattering from H 2 when compared with available experiment at energies of 17.5 eV and above.« less

Differential cross sections for excitation of H 2 by low-energy electron impact

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hargreaves, Leigh R.; Bhari, S.; Adjari, B.

Experimental and theoretical differential cross sections (DCS) for the electron-impact excitation of molecular hydrogen to themore » $$B{}^{1}{{\\rm{\\Sigma }}}_{u}^{+}$$, $$c{}^{3}{{\\rm{\\Pi }}}_{u}$$, $$a{}^{3}{{\\rm{\\Sigma }}}_{g}^{+}$$, $$C{}^{1}{{\\rm{\\Pi }}}_{u}$$, and the $$E(F){}^{1}{{\\rm{\\Sigma }}}_{g}^{+}$$ states are presented at incident energies near to threshold. The experimental DCSs were taken at incident energies of 14, 15, 16 and 17.5 eV and for scattering angles from 10° to 130°. In conclusion, the theoretical DCSs are from the convergent close-coupling method which has recently successfully modeled differential electron scattering from H 2 when compared with available experiment at energies of 17.5 eV and above.« less

The nature of instructional effects in color constancy.

PubMed

Radonjić, Ana; Brainard, David H

2016-06-01

The instructions subjects receive can have a large effect on experimentally measured color constancy, but the nature of these effects and how their existence should inform our understanding of color perception remains unclear. We used a factorial design to measure how instructional effects on constancy vary with experimental task and stimulus set. In each of 2 experiments, we employed both a classic adjustment-based asymmetric matching task and a novel color selection task. Four groups of naive subjects were instructed to make adjustments/selections based on (a) color (neutral instructions); (b) the light reaching the eye (physical spectrum instructions); (c) the actual surface reflectance of an object (objective reflectance instructions); or (d) the apparent surface reflectance of an object (apparent reflectance instructions). Across the 2 experiments we varied the naturalness of the stimuli. We find clear interactions between instructions, task, and stimuli. With simplified stimuli (Experiment 1), instructional effects were large and the data revealed 2 instruction-dependent patterns. In 1 (neutral and physical spectrum instructions) constancy was low, intersubject variability was also low, and adjustment-based and selection-based constancy were in agreement. In the other (reflectance instructions) constancy was high, intersubject variability was large, adjustment-based constancy deviated from selection-based constancy and for some subjects selection-based constancy increased across sessions. Similar patterns held for naturalistic stimuli (Experiment 2), although instructional effects were smaller. We interpret these 2 patterns as signatures of distinct task strategies-1 is perceptual, with judgments based primarily on the perceptual representation of color; the other involves explicit instruction-driven reasoning. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Search of Neutrinoless Double Beta Decay with the GERDA Experiment

NASA Astrophysics Data System (ADS)

Agostini, M.; Allardt, M.; Bakalyarov, A. M.; Balata, M.; Barabanov, I.; Baudis, L.; Bauer, C.; Becerici-Schmidt, N.; Bellotti, E.; Belogurov, S.; Belyaev, S. T.; Benato, G.; Bettini, A.; Bezrukov, L.; Bode, T.; Borowicz, D.; Brudanin, V.; Brugnera, R.; Budjáš, D.; Caldwell, A.; Cattadori, C.; Chernogorov, A.; D'Andrea, V.; Demidova, E. V.; Domula, A.; Doroshkevich, E.; Egorov, V.; Falkenstein, R.; Fedorova, O.; Freund, K.; Frodyma, N.; Gangapshev, A.; Garfagnini, A.; Gooch, C.; Gotti, C.; Grabmayr, P.; Gurentsov, V.; Gusev, K.; Hampel, W.; Hegai, A.; Heisel, M.; Hemmer, S.; Heusser, G.; Hoffmann, W.; Hult, M.; Inzhechik, L. V.; Ioannucci, L.; Janicksó Csáthy, J.; Jochum, J.; Junker, M.; Kazalov, V.; Kihm, T.; Kirpichnikov, I. V.; Kirsch, A.; Klimenko, A.; Knöpfle, K. T.; Kochetov, O.; Kornoukhov, V. N.; Kuzminov, V. V.; Laubenstein, M.; Lazzaro, A.; Lebedev, V. I.; Lehnert, B.; Liao, H. Y.; Lindner, M.; Lippi, I.; Lubashevskiy, A.; Lubsandorzhiev, B.; Lutter, G.; Macolino, C.; Majorovits, B.; Maneschg, W.; Marissens, G.; Medinaceli, E.; Misiaszek, M.; Moseev, P.; Nemchenok, I.; Nisi, S.; Palioselitis, D.; Panas, K.; Pandola, L.; Pelczar, K.; Pessina, G.; Pullia, A.; Reissfelder, M.; Riboldi, S.; Rumyantseva, N.; Sada, C.; Salathe, M.; Schmitt, C.; Schneider, B.; Schreiner, J.; Schulz, O.; Schwingenheuer, B.; Schönert, S.; Seitz, H.; Selivalenko, O.; Shevchik, E.; Shirchenko, M.; Simgen, H.; Smolnikov, A.; Stanco, L.; Stepaniuk, M.; Strecker, H.; Ur, C. A.; Vanhoefer, L.; Vasenko, A. A.; Veresnikova, A.; von Sturm, K.; Wagner, V.; Walter, M.; Wegmann, A.; Wester, T.; Wiesinger, C.; Wilsenach, H.; Wojcik, M.; Yanovich, E.; Zavarise, P.; Zhitnikov, I.; Zhukov, S. V.; Zinatulina, D.; Zuber, K.; Zuzel, G.

2016-04-01

The GERDA (GERmanium Detector Array) is an experiment for the search of neutrinoless double beta decay (0 νββ) in 76Ge, located at Laboratori Nazionali del Gran Sasso of INFN (Italy). In the first phase of the experiment, a 90% confidence level (C.L.) sensitivity of 2.4 ṡ1025 yr on the 0 νββ decay half-life was achieved with a 21.6 kgṡyr exposure and an unprecedented background index in the region of interest of 10-2 counts/(keVṡkgṡyr). No excess of signal events was found, and an experimental lower limit on the half-life of 2.1 ṡ 1025 yr (90% C.L.) was established. Correspondingly, the limit on the effective Majorana neutrino mass is mee < 0.2- 0.4 eV, depending on the considered nuclear matrix element. The previous claim for evidence of a 0 νββ decay signal is strongly disfavored, and the field of research is open again.

Carbon Stable Isotope Values in Plankton and Mussels Reflect Changes in Carbonate Chemistry Associated with Nutrient Enhanced Net Production.

PubMed

Oczkowski, Autumn; Taplin, Bryan; Pruell, Richard; Pimenta, Adam; Johnson, Roxanne; Grear, Jason

2018-02-14

Coastal ecosystems are inherently complex and potentially adaptive as they respond to changes in nutrient loads and climate. We documented the role that carbon stable isotope (δ 13 C) measurements could play in understanding that adaptation with a series of three Ecostat (i.e., continuous culture) experiments. We quantified linkages among δ 13 C, nutrients, carbonate chemistry, primary, and secondary production in temperate estuarine waters. Experimental culture vessels (9.1 L) containing 33% whole and 67% filtered (0.2 μm) seawater were amended with dissolved inorganic nitrogen (N) and phosphorous (P) in low (3 vessels; 5 μM N, 0.3 μM P), moderate (3 vessels; 25 μM N, 1.6 μM P), and high amounts (3 vessels; 50 μM N, 3.1 μM P). The parameters necessary to calculate carbonate chemistry, chlorophyll- a concentrations, and particulate δ 13 C values were measured throughout the 14 day experiments. Outflow lines from the experimental vessels fed 250 ml containers seeded with juvenile blue mussels (Mytilus edulis). Mussel subsamples were harvested on days 0, 7, and 14 and their tissues were analyzed for δ 13 C values. We consistently observed that particulate δ 13 C values were positively correlated with chlorophyll-a, carbonate chemistry, and to changes in the ratio of bicarbonate to dissolved carbon dioxide ( [Formula: see text] :CO 2 ). While the relative proportion of [Formula: see text] to CO 2 increased over the 14 days, concentrations of each declined, reflecting the drawdown of carbon associated with enhanced production. Plankton δ 13 C values, like chlorophyll- a concentrations, increased over the course of each experiment, with the greatest increases in the moderate and high treatments. Trends in δ 13 C over time were also observed in the mussel tissues. Despite ecological variability and different plankton abundances the experiments consistently demonstrated how δ 13 C values in primary producers and consumers reflected nutrient availability, via its impact on carbonate chemistry. We applied a series of mixed-effects models to observational data from Narragansett Bay and the model that included in situ δ 13 C and percent organic matter was the best predictor of [ [Formula: see text

NMR crystallography of campho[2,3-c]pyrazole (Z' = 6): combining high-resolution 1H-13C solid-state MAS NMR spectroscopy and GIPAW chemical-shift calculations.

PubMed

Webber, Amy L; Emsley, Lyndon; Claramunt, Rosa M; Brown, Steven P

2010-09-30

(1)H-(13)C two-dimensional magic-angle spinning (MAS) solid-state NMR correlation spectra, recorded with the MAS-J-HMQC experiment, are presented for campho[2,3-c]pyrazole. For each (13)C moiety, there are six resonances associated with the six distinct molecules in the asymmetric unit cell (Z' = 6). The one-bond C-H correlations observed in the 2D (1)H-(13)C MAS-J-HMQC spectra allow the experimental determination of the (1)H and (13)C chemical shifts associated with the separate CH, CH(2), and CH(3) groups. (1)H and (13)C chemical shifts calculated by using the GIPAW (Gauge Including Projector Augmented Waves) plane-wave pseudopotential approach are presented. Calculations for the whole unit cell (12 × 29 = 348 atoms, with geometry optimization of all atoms) allow the assignment of the experimental (1)H and (13)C chemical shifts to the six distinct molecules. The calculated chemical shifts for the full crystal structure are compared with those for isolated molecules as extracted from the geometry-optimized crystal structure. In this way, the effect of intermolecular interactions on the observed chemical shifts is quantified. In particular, the calculations are sufficiently precise to differentiate the small (<1 ppm) differences between the (1)H chemical shifts of the six resonances associated with each distinct CH or CH(2) moiety.

Mass Spectra of Ds and Ωc in Lattice QCD with Nf = 2 + 1 + 1 Domain-Wall Quarks

NASA Astrophysics Data System (ADS)

Chiu, Ting-Wai

2018-03-01

We perform hybrid Monte Carlo simulation of lattice QCD with Nf = 2+1+1 optimal domain-wall quarks on the 323 × 64 lattice with lattice spacing a 0:06 fm, and generate a gauge ensemble with physical s and c quarks, and pion mass 280 MeV. Using 2-quark (meson) and 3-quark (baryon) interpolating operators, the mass spectra of the lowest-lying states containing s and c quarks (Ds and Ωc) are extracted [1], which turn out in good agreement with the high energy experimental values, together with the predictions of the charmed baryons which have not been observed in experiments. For the five new narrow c states observed by the LHCb Collaboration [2], the lowest-lying Ωc(3000) agrees with our predicted mass 3015(29)(34) MeV of the lowest-lying Ωc with JP = 1/2-. This implies that JP of Ωc(3000) is 1/2-.

Experimental investigation of the seismic performance of the R/C frames with reinforced masonry infills

NASA Astrophysics Data System (ADS)

Tanjung, Jafril; Maidiawati, Nugroho, Fajar

2017-10-01

Intensive studies regarding the investigation of seismic performance of reinforced concrete (R/C) frames which are infilled with brick masonry walls have been carried out by several researchers within the last three-decades. According to authors' field and experimentally experiences conclude that the unreinforced brick masonry infills significantly contributes to increase the seismic performance of the R/C frame structure. Unfortunately, the presence of brick masonry infill walls causes several undesirable effects such as short column, soft-storey, torsion and out of plane collapse. In this study, a strengthening technique for the brick masonry infills were experimentally investigated to improve the seismic performance of the R/C frame structures. For this purpose, four experimental specimens have been prepared, i.e. one of bare R/C frame (BF), one of R/C frame infilled with unreinforced brick-masonry wall (IFUM) and two of R/C frames were infilled with reinforced brick-masonry wall (IFRM-1 and IFRM-2). The bare frame and R/C frame infilled with unreinforced brick-masonry wall represents the typical R/C buildings' construction in Indonesia assuming the brick-masonry wall as the non-structural elements. The brick-masonry wall infills in specimens IFRM-1 and IFRM-2 were strengthened by using embedded ϕ4 plain steel bar on their diagonal and center of brick-masonry wall, respectively. All specimens were laterally pushed-over. The lateral loading and its lateral displacement, failure mechanism and their crack pattern were recorded during experimental works. Comparison of the experimental results of these four specimens conclude that the strengthening of the brick-masonry infills wall gave the significantly increasing of the seismic performance of the R/C frame. The seismic performance was evaluated based on the lateral strength of the R/C specimen. The embedded plain steel bar on brick-masonry also reduces the diagonal crack on the brick-masonry wall. It seems that the presence of the embedded plain bar may help reduce the vulnerability of the brick-masonry infill.

Experimental study and empirical prediction of fuel flow parameters under air evolution conditions

NASA Astrophysics Data System (ADS)

Kitanina, E. E.; Kitanin, E. L.; Bondarenko, D. A.; Kravtsov, P. A.; Peganova, M. M.; Stepanov, S. G.; Zherebzov, V. L.

2017-11-01

Air evolution in kerosene under the effect of gravity flow with various hydraulic resistances in the pipeline was studied experimentally. The study was conducted at pressure ranging from 0.2 to 1.0 bar and temperature varying between -20°C and +20°C. Through these experiments, the oversaturation limit beyond which dissolved air starts evolving intensively from the fuel was established and the correlations for the calculation of pressure losses and air evolution on local loss elements were obtained. A method of calculating two-phase flow behaviour in a titled pipeline segment with very low mass flow quality and fairly high volume flow quality was developed. The complete set of empirical correlations obtained by experimental analysis was implemented in the engineering code. The software simulation results were repeatedly verified against our experimental findings and Airbus test data to show that the two-phase flow simulation agrees quite well with the experimental results obtained in the complex branched pipelines.

SeO2 adsorption on CaO surface: DFT and experimental study on the adsorption of multiple SeO2 molecules

NASA Astrophysics Data System (ADS)

Fan, Yaming; Zhuo, Yuqun; Li, Liangliang

2017-10-01

SeO2 adsorption mechanisms on CaO surface were firstly investigated by both density functional theory (DFT) calculations and adsorption experiments. Adsorption of multiple SeO2 on the CaO (001) surface was investigated using slab model. Based on the results of adsorption energy and surface property, a double-layer adsorption mechanisms were proposed. In experiments, the SeO2 adsorption products were prepared in a U-shaped quartz reactor at 200 °C. The surface morphology was investigated by field emission scanning electron microscopy (FE-SEM). The superficial and total SeO2 mass fractions were measured by X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma atomic emission spectroscopy (ICP-AES), respectively. The surface valence state and bulk structure are determined by XPS and X-Ray Diffraction (XRD). The experimental results are in good agreement with the DFT results. In conclusion, the fundamental SeO2 chemisorption mechanisms on CaO surface were suggested.

Crystallographic evolution of MAX phases in proton irradiating environments

NASA Astrophysics Data System (ADS)

Ward, Joseph; Middleburgh, Simon; Topping, Matthew; Garner, Alistair; Stewart, David; Barsoum, Michel W.; Preuss, Michael; Frankel, Philipp

2018-04-01

This work represents the first use of proton irradiation to simulate in-core radiation damage in Ti3SiC2 and Ti3AlC2 MAX phases. Irradiation experiments were performed to 0.1 dpa at 350 °C, with a damage rate of 4.57 × 10-6 dpa s-1. The MAX phases displayed significant dimensional instabilities at the crystal level during irradiation leading to large anisotropic changes in lattice parameter, even at low damage levels. The instabilities were accompanied by a decomposition of the Ti-based MAX phases to their binary constituents, TiC. Experimentally observed changes in lattice parameter have been correlated with density functional theory modelling. The most energetically favourable and/or most difficult to recombine defects considered were an M-A antisite ({MA:AM}), and carbon Frenkel ({VC:Ci}). It is proposed that antisite defects, {MA:AM}, are the main contributor to the observed changes in lattice parameter. The proposed mechanism reported in this work potentially enables to design MAX phase compositions, which do not favour antisite defect accumulation. In addition, comparison between the experimental results and theoretical calculations shows that a greater amount of residual damage remains in Ti3AlC2 when compared to Ti3SiC2 after the same irradiation treatment.

Unimolecular thermal fragmentation of ortho-benzene.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, X.; Maccarone, A. T.; Nimlos, M. R.

2007-01-01

The ortho-benzyne diradical, o-C{sub 6}H{sub 4} has been produced with a supersonic nozzle and its subsequent thermal decomposition has been studied. As the temperature of the nozzle is increased, the benzyne molecule fragments o-C{sub 6}H{sub 4}{sup +} {Delta} {yields} products. The thermal dissociation products were identified by three experimental methods: (i) time-of-flight photoionization mass spectrometry, (ii) matrix-isolation Fourier transform infrared absorption spectroscopy, and (iii) chemical ionization mass spectrometry. At the threshold dissociation temperature, o-benzyne cleanly decomposes into acetylene and diacetylene via an apparent retro-Diels-Alder process: o-C{sub 6}H{sub 4}{sup +}{Delta}{yields} HC {triple_bond} CH+HC {triple_bond} C-C {triple_bond} CH. The experimental {Delta}{sub rxn}H{submore » 298}(o-C{sub 6}H{sub 4} {yields} HC {triple_bond} CH+HC {triple_bond} C-C {triple_bond} CH) is found to be 57 {+-} 3 kcal mol{sup -1}. Further experiments with the substituted benzyne, 3,6-(CH{sub 3}){sub 2}-o-C{sub 6}H{sub 2}, are consistent with a retro-Diels-Alder fragmentation. But at higher nozzle temperatures, the cracking pattern becomes more complicated. To interpret these experiments, the retro-Diels-Alder fragmentation of o-benzyne has been investigated by rigorous ab initio electronic structure computations. These calculations used basis sets as large as [C(7s6p5d4f3g2h1i)/H(6s5p4d3f2g1h)] (cc-pV6Z) and electron correlation treatments as extensive as full coupled cluster through triple excitations (CCSDT), in cases with a perturbative term for connected quadruples [CCSDT(Q)]. Focal point extrapolations of the computational data yield a 0 K barrier for the concerted, C{sub 2v}-symmetric decomposition of o-benzyne, E{sub b}(o-C{sub 6}H{sub 4} {yields} HC {triple_bond} CH+HC {triple_bond} C-C {triple_bond} CH) = 88.0 {+-} 0.5 kcal mol{sup -1}. A barrier of this magnitude is consistent with the experimental results. A careful assessment of the thermochemistry for the high temperature fragmentation of benzene is presented: C{sub 6}H{sub 6} {yields} H+[C{sub 6}H{sub 5}] {yields} H+[o-C{sub 6}H{sub 4}] {yields} HC {triple_bond} CH-HC {triple_bond} C-C {triple_bond} CH. Benzyne may be an important intermediate in the thermal decomposition of many alkylbenzenes (arenes). High engine temperatures above 1500 K may crack these alkylbenzenes to a mixture of alkyl radicals and phenyl radicals. The phenyl radicals will then dissociate first to benzyne and then to acetylene and diacetylene.« less

Day and Night Variability of CO2 Fluxes and Priming Effects under zea Mays Measured in High Resolution

NASA Astrophysics Data System (ADS)

Splettstoesser, Thomas; Pausch, Johanna

2017-04-01

Plant induced increase of soil organic matter turnover rates contribute to carbon emissions in agricultural land use systems. In order to better understand these rhizosphere priming effects, we conducted an experiment which enabled us to monitor CO2 fluxes under Zea mays plants in high resolution. The experiment was conducted in a climate chamber where the plants were grown in tightly sealed boxes for 40 days and CO2 efflux from soil was measured twice a day. Continuous 13C-CO2 label was used to allow differentiation between plant- and soil-derived CO2.This enabled us to monitor root respiration and soil organic matter turnover in the early stages of plant growth and to highlight changes in soil CO2 emissions and priming effects between day and night. The measurements were conducted with a PICARRO G2131-I C high-precision isotopic CO2 Analyzer (PICARRO INC.) utilizing an automated valve system governed by a CR1000 data logger (Campbell Scientific). After harvest roots and shoots were analyzed for 13C content. Microbial biomass, root length density and enzymatic activities in soil were measured and linked to soil organic matter turnover rates. Results show an increased soil CO2 efflux at day time periods and an overall increase with increasing plant biomass. No difference in chloroform fumigation extractable microbial biomass has been found but a strong negative priming effect was measured in the short experimental period, suggesting that the microbes shifted to the utilization of plant exudates without actual microbial growth triggered by the new labile C input. This is coherent with the observed shift in enzyme kinetics. With this experimental setup we show that measurement of priming effects in high resolution can be achieved.

Inflight resistance measurement on high-T(sub c) superconducting thin films exposed to orbital atomic oxygen on CONCAP-2 (STS-46)

NASA Technical Reports Server (NTRS)

Gregory, J. C.; Raiker, G. N.; Bijvoet, J. A.; Nerren, P. D.; Sutherland, W. T.; Mogro-Camperso, A.; Turner, L. G.; Kwok, Hoi; Raistrick, I. D.; Cross, J. B.

1995-01-01

In 1992, UAH (University of Alabama in Huntsville) conducted a unique experiment on STS-46 in which YBa2Cu3O7 (commonly known as '1-2-3' superconductor) high-T(c) superconducting thin film samples prepared at three different laboratories were exposed to 5 eV atomic oxygen in low Earth orbit on the ambient and 320 C hot plate during the first flight of the CONCAP-2 (Complex Autonomous Payload) experiment carrier. The resistance of the thin films was measured in flight during the atomic oxygen exposure and heating cycle. Superconducting properties were measured in the laboratory before and after the flight by the individual experimenters. Films with good superconducting properties, and which were exposed to the oxygen flux, survived the flight including those heated to 320 C (600 K) with properties essentially unchanged, while other samples which were heated but not exposed to oxygen were degraded. The properties of other flight controls held at ambient temperature appear unchanged and indistinguishable from those of ground controls, whether exposed to oxygen or not.

Desorption of CO{sub 2} from MDEA and activated MDEA solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, G.W.; Zhang, C.F.; Qin, S.J.

1995-03-01

A packed column was used for investigating the desorption rate of CO{sub 2} from aqueous methyldiethanolamine (MDEA) and activated MDEA solutions. Experiments were conducted within the temperature range 30--70 C, the concentration of MDEA was 4.28 kmol/m{sup 3}, and the concentration of piperazine (PZ) was 0.10 kmol/m{sup 3} for aqueous activated MDEA solutions. Experimental data confirmed that the kinetics model of absorption CO{sub 2} into aqueous MDEA and activated MDEA solutions can be applicable to the situations in which desorption occurs, and the desorption rate of model predictions agree well with that of experimental determination.

Effects of Clozapine and Alprazolam on Cognitive Deficits and Anxiety-Like Behaviors in a Ketamine-Induced Rat Model of Schizophrenia

DTIC Science & Technology

2005-01-01

xii LIST OF TABLES Table 1. DSM-IV-TR Criteria for Schizophrenia (abbreviated) Table 2. Experimental Design Table 3. Experiment #1... Experimental Timeline Table 4. Experiment #2: Experimental Timeline Table 5. Experiment #1: Results of MANOVAs for Prepulse Inhibition Variables...rats. Please see Table 2 for a description of treatments and cell sizes for each experiment . Table 2. Experimental Design Ketamine (mg/kg

Experimental and theoretical study of the sec-C[sub 4]H[sub 9] [r reversible] CH[sub 3] + C[sub 3]H[sub 6] reaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Knyazev, V.D.; Dubinsky, I.A.; Slagle, I.R.

1994-10-27

The kinetics of the unimolecular decomposition of the sec-C[sub 4]H[sub 9] radical has been studied experimentally in a heated tubular flow reactor coupled to a photoionization mass spectrometer. Rate constants for the decomposition were determined in time-resolved experiments as a function of temperature (598-680 K) and bath gas density (3-18) [times] 10[sup 16] molecules cm[sup [minus]3] in three bath gases: He, Ar, and N[sub 2]. The rate constants are in the falloff region under the conditions of the experiments. The results of earlier studies of the reverse reaction were reanalyzed and used to create a transition state model of themore » reaction. This transition state model was used to obtain values of the microcanonical rate constants, k (E). Falloff behavior was reproduced using master equation modeling with the energy barrier height for decomposition (necessary to calculate k(E)) obtained from optimization of the agreement between experimental and calculated rate constants. The resulting model of the reaction provides the high-pressure limit rate constants for the decomposition reaction and the reverse reaction. 52 refs., 7 figs., 3 tabs.« less

The effectiveness of 1H decoupling in the 13C MAS NMR of paramagnetic solids: An experimental case study incorporating copper(II) amino acid complexes

NASA Astrophysics Data System (ADS)

Willans, Mathew J.; Sears, Devin N.; Wasylishen, Roderick E.

2008-03-01

The use of continuous-wave (CW) 1H decoupling has generally provided little improvement in the 13C MAS NMR spectroscopy of paramagnetic organic solids. Recent solid-state 13C NMR studies have demonstrated that at rapid magic-angle spinning rates CW decoupling can result in reductions in signal-to-noise and that 1H decoupling should be omitted when acquiring 13C MAS NMR spectra of paramagnetic solids. However, studies of the effectiveness of modern 1H decoupling sequences are lacking, and the performance of such sequences over a variety of experimental conditions must be investigated before 1H decoupling is discounted altogether. We have studied the performance of several commonly used advanced decoupling pulse sequences, namely the TPPM, SPINAL-64, XiX, and eDROOPY sequences, in 13C MAS NMR experiments performed under four combinations of the magnetic field strength (7.05 or 11.75 T), rotor frequency (15 or 30 kHz), and 1H rf-field strength (71, 100, or 140 kHz). The effectiveness of these sequences has been evaluated by comparing the 13C signal intensity, linewidth at half-height, LWHH, and coherence lifetimes, T2', of the methine carbon of copper(II) bis( DL-alanine) monohydrate, Cu(ala) 2·H 2O, and methylene carbon of copper(II) bis( DL-2-aminobutyrate), Cu(ambut) 2, obtained with the advanced sequences to those obtained without 1H decoupling, with CW decoupling, and for fully deuterium labelled samples. The latter have been used as model compounds with perfect 1H decoupling and provide a measure of the efficiency of the 1H decoupling sequence. Overall, the effectiveness of 1H decoupling depends strongly on the decoupling sequence utilized, the experimental conditions and the sample studied. Of the decoupling sequences studied, the XiX sequence consistently yielded the best results, although any of the advanced decoupling sequences strongly outperformed the CW sequence and provided improvements over no 1H decoupling. Experiments performed at 7.05 T demonstrate that the XiX decoupling sequence is the least sensitive to changes in the 1H transmitter frequency and may explain the superior performance of this decoupling sequence. Overall, the most important factor in the effectiveness of 1H decoupling was the carbon type studied, with the methylene carbon of Cu(ambut) 2 being substantially more sensitive to 1H decoupling than the methine carbon of Cu(ala) 2·H 2O. An analysis of the various broadening mechanisms contributing to 13C linewidths has been performed in order to rationalize the different sensitivities of the two carbon sites under the four experimental conditions.

Experimental and theoretical study of the reactions between neutral vanadium oxide clusters and ethane, ethylene, and acetylene.

PubMed

Dong, Feng; Heinbuch, Scott; Xie, Yan; Rocca, Jorge J; Bernstein, Elliot R; Wang, Zhe-Chen; Deng, Ke; He, Sheng-Gui

2008-02-13

Reactions of neutral vanadium oxide clusters with small hydrocarbons, namely C2H6, C2H4, and C2H2, are investigated by experiment and density functional theory (DFT) calculations. Single photon ionization through extreme ultraviolet (EUV, 46.9 nm, 26.5 eV) and vacuum ultraviolet (VUV, 118 nm, 10.5 eV) lasers is used to detect neutral cluster distributions and reaction products. The most stable vanadium oxide clusters VO2, V2O5, V3O7, V4O10, etc. tend to associate with C2H4 generating products V(m)O(n)C2H4. Oxygen-rich clusters VO3(V2O5)(n=0,1,2...), (e.g., VO3, V3O8, and V5O13) react with C2H4 molecules to cause a cleavage of the C=C bond of C2H4 to produce (V2O5)(n)VO2CH2 clusters. For the reactions of vanadium oxide clusters (V(m)O(n)) with C2H2 molecules, V(m)O(n)C2H2 are assigned as the major products of the association reactions. Additionally, a dehydration reaction for VO3 + C2H2 to produce VO2C2 is also identified. C2H6 molecules are quite stable toward reaction with neutral vanadium oxide clusters. Density functional theory calculations are employed to investigate association reactions for V2O5 + C2H(x). The observed relative reactivity of C2 hydrocarbons toward neutral vanadium oxide clusters is well interpreted by using the DFT calculated binding energies. DFT calculations of the pathways for VO3+C2H4 and VO3+C2H2 reaction systems indicate that the reactions VO3+C2H4 --> VO2CH2 + H2CO and VO3+C2H2 --> VO2C2 + H2O are thermodynamically favorable and overall barrierless at room temperature, in good agreement with the experimental observations.

Probing the intrinsic electronic structure of the bis(dithiolene) anions [M(mnt)2]2- and [M(mnt)2]1- (M = Ni, Pd, Pt; mnt = 1,2-S2C2(CN)2) in the gas phase by photoelectron spectroscopy.

PubMed

Waters, Tom; Woo, Hin-Koon; Wang, Xue-Bin; Wang, Lai-Sheng

2006-04-05

A detailed understanding of the electronic structure of transition metal bis(dithiolene) complexes is important because of their interesting redox, magnetic, optical, and conducting properties and their relevance to enzymes containing molybdenum and tungsten bis(dithiolene) centers. The electronic structures of the bis(dithiolene) anions [M(mnt)(2)](n-) (M = Ni, Pd, Pt; mnt = 1,2-S(2)C(2)(CN)(2); n = 0-2) were examined by a combination of photodetachment photoelectron spectroscopy (PES) and density functional theory calculations. The combined experimental and theoretical data provide insight into the molecular orbital energy levels of [M(mnt)(2)](2-) and the ground and excited states of [M(mnt)(2)](1-) and [M(mnt)(2)]. Detachment features from ligand-based orbitals of [M(mnt)(2)](2-) occur at similar energies for each species, independent of the metal center, while those arising from metal-based orbitals occur at higher energies for the heavier congeners. Electronic excitation energies inferred for [M(mnt)(2)](1-) from the PES experiments agree well with those obtained in optical absorption experiments in solution, with the PES experiments providing additional insight into the changes in energy of these transitions as a function of metal. The singly charged anions [M(mnt)(2)](1-) were also prepared and studied independently. Electron detachment from the ground states of these doublet anions accessed the lowest singlet and triplet states of neutral [M(mnt)(2)], thereby providing a direct experimental measure of their singlet-triplet splitting.

Enhancement of carbachol-induced amylase secretion in parotid glands from rats with experimental periodontitis.

PubMed

Miozza, Valeria; Sánchez, Gabriel; Sterin-Borda, Leonor; Busch, Lucila

2011-12-01

In a previous study we observed that parotid glands from rats with experimental periodontitis showed an increase in basal amylase release as a result of an increase in cAMP accumulation induced by PGE(2) production. The aim of this work was to study whether this change in amylase release influences the secretory effect of carbachol. Experimental periodontitis was induced through placing a black thread around the cervix of the two lower first molars. Experiments were done 22 days after ligature induced periodontitis. Amylase release was evaluated in vitro and determined using a colorimetric method which uses starch as substrate. The effect of carbachol was increased in parotid glands from periodontitis rats. The effect of 10(-6)M carbachol was inhibited by 4-DAMP (10(-6)M), U-73122 (5 × 10(-6)M) and trifluoperazine (5 × 10(-6)M) in both groups. No changes were observed in the binding sites and affinity in parotid membranes from rats with experimental periodontitis. The inhibition of the adenylyl cyclase and the cyclooxygenase induced a right shift of the carbachol concentration-response curve in periodontitis group whilst the opposite effect was observed in control group in the presence of db-cAMP and PGE(2). Parotid glands from rats with experimental periodontitis release more amylase in response to carbachol suggesting an interaction between Ca(2+) and cAMP in the fusion/exocytosis step of secretory vesicles. Copyright © 2011 Elsevier Ltd. All rights reserved.

Characterizing a partially ordered miniprotein through folding molecular dynamics simulations: Comparison with the experimental data.

PubMed

Baltzis, Athanasios S; Glykos, Nicholas M

2016-03-01

The villin headpiece helical subdomain (HP36) is one of the best known model systems for computational studies of fast-folding all-α miniproteins. HP21 is a peptide fragment-derived from HP36-comprising only the first and second helices of the full domain. Experimental studies showed that although HP21 is mostly unfolded in solution, it does maintain some persistent native-like structure as indicated by the analysis of NMR-derived chemical shifts. Here we compare the experimental data for HP21 with the results obtained from a 15-μs long folding molecular dynamics simulation performed in explicit water and with full electrostatics. We find that the simulation is in good agreement with the experiment and faithfully reproduces the major experimental findings, namely that (a) HP21 is disordered in solution with <10% of the trajectory corresponding to transiently stable structures, (b) the most highly populated conformer is a native-like structure with an RMSD from the corresponding portion of the HP36 crystal structure of <1 Å, (c) the simulation-derived chemical shifts-over the whole length of the trajectory-are in reasonable agreement with the experiment giving reduced χ(2) values of 1.6, 1.4, and 0.8 for the Δδ(13) C(α) , Δδ(13) CO, and Δδ(13) C(β) secondary shifts, respectively (becoming 0.8, 0.7, and 0.3 when only the major peptide conformer is considered), and finally, (d) the secondary structure propensity scores are in very good agreement with the experiment and clearly indicate the higher stability of the first helix. We conclude that folding molecular dynamics simulations can be a useful tool for the structural characterization of even marginally stable peptides. © 2015 The Protein Society.

Assessment of optimal control mechanism complexity by experimental landscape Hessian analysis: fragmentation of CH2BrI

NASA Astrophysics Data System (ADS)

Xing, Xi; Rey-de-Castro, Roberto; Rabitz, Herschel

2014-12-01

Optimally shaped femtosecond laser pulses can often be effectively identified in adaptive feedback quantum control experiments, but elucidating the underlying control mechanism can be a difficult task requiring significant additional analysis. We introduce landscape Hessian analysis (LHA) as a practical experimental tool to aid in elucidating control mechanism insights. This technique is applied to the dissociative ionization of CH2BrI using shaped fs laser pulses for optimization of the absolute yields of ionic fragments as well as their ratios for the competing processes of breaking the C-Br and C-I bonds. The experimental results suggest that these nominally complex problems can be reduced to a low-dimensional control space with insights into the control mechanisms. While the optimal yield for some fragments is dominated by a non-resonant intensity-driven process, the optimal generation of other fragments maa difficult task requiring significant additionaly be explained by a non-resonant process coupled to few level resonant dynamics. Theoretical analysis and modeling is consistent with the experimental observations.

Formation of Hematite fine crystals by hydrothermal alteration of synthetic Martian basalt, static and fluid flow experiments

NASA Astrophysics Data System (ADS)

Kobayashi, K.; Isobe, H.

2011-12-01

Exploration made by Martian rovers and probes provided enormous information on the composition of the Martian surface materials. Origin and formation processes of the Martian surface materials should be various depending on topography and history of the Martian crust. Especially, iron minerals in the Martian soil should have essential role to characterize surface environment of the "red planet". In the present study, experimental reproduction of the Martian soil was carried out by hydrothermal alteration of the synthetic iron-rich basaltic rock. Experimental conditions for temperature and fluid composition followed Isobe and Yoshizawa (2010). Static alteration experiments are carried out at 100 °C and 150 °C, and mass ratio of the starting material to the pH1.0 sulfuric acid solution is 1:50. Run durations are 1, 2, 4 or 8 weeks. Appropriate mass of dry ice was sealed in the experimental vessels to expel atmospheric oxygen with CO2. For the static experiments, powdered starting materials were charged in PFA vial to keep textures of the run products. For the fluid flow experiments, we constructed closed loop with Teflon tube inclined approximately 45°. One of the vertical tube is charged with crushed synthetic basalt and heated approximately 150°C by aluminum block with ribbon heater. Surlfuric acid solution flows through the tube from bottom to top and cooled at the end of the aluminum block. Cooled solution returns to the bottom of the heated tube through another vertical tube without heating block. In the static condition run products, characteristic iron mineral particles are formed for 100°C and 150°C concordant with Isobe and Yoshizawa (2010). These iron minerals distributed not only inside the starting material powder but also on the surface of the reaction vessel and the PFA vial in the reactive solution. The surface of the reaction vessel shows orange and reddish color on 100°C and 150°C run products, respectively. By SEM observation, dissolution of melt and olivine grains were observed, and iron mineral particles substituted olivine partly. Diameters of the iron mineral particles are submicron to several micron meters at 100°C, and slowly increase with run durations and temperatures. In the fluid flow experiment, deposition of the characteristic iron minerals occur inside the heated tube. Distribution of iron minerals corresponds to temperature gradient and fluid flow direction. Iron minerals are partially covered by silica phase with submicron meters in thickness. The occurrence of the iron minerals in the run products of this study suggests that characteristic iron mineral fine particles including hematite and goethite were formed by acidic hydrothermal alteration of iron-rich basaltic rock even at remote region from the source materials.

Aspergillus Hyphae in Infected Tissue: Evidence of Physiologic Adaptation and Effect on Culture Recovery

PubMed Central

Tarrand, Jeffrey J.; Han, Xiang Y.; Kontoyiannis, Dimitrios P.; May, Gregory S.

2005-01-01

Microbiologic cultures of fungi are routinely incubated at ambient temperatures in room air, and the rate of recovery of Aspergillus species from clinical specimens is poor. Failure of current culture methods to mimic the physiologic temperature and low-oxygen environment found in hypha-laden infected tissue may underlie this poor recovery. Experiments were performed to compare the recovery of Aspergillus spp. incubated at 35°C in 6% O2-10% CO2 with that at 25°C in room air. The samples tested included Aspergillus-infected tissue specimens from a dog model and human autopsies, experimental anaerobically stressed Aspergillus inocula, and 10,062 consecutive clinical specimens. Culture at 35°C in 6% O2-10% CO2 significantly enhanced the recovery of Aspergillus spp. from the infected autopsy tissue samples. Incubation at 35°C alone resulted in approximately 10-fold-improved culture recovery from the experimentally stressed hyphae, and the 6% O2-10% CO2 atmosphere independently favored growth under temperature-matched conditions. Finally, incubation at 35°C (in room air) improved the overall recovery of Aspergillus spp. from clinical specimens by 31%. Culture at 35°C in a microaerobic atmosphere significantly enhances the recovery of Aspergillus spp. from various sources. Aspergillus hyphae growing in infected tissue appear to be adapted to the physiologic temperature and hypoxic milieu. PMID:15634998

Aspergillus hyphae in infected tissue: evidence of physiologic adaptation and effect on culture recovery.

PubMed

Tarrand, Jeffrey J; Han, Xiang Y; Kontoyiannis, Dimitrios P; May, Gregory S

2005-01-01

Microbiologic cultures of fungi are routinely incubated at ambient temperatures in room air, and the rate of recovery of Aspergillus species from clinical specimens is poor. Failure of current culture methods to mimic the physiologic temperature and low-oxygen environment found in hypha-laden infected tissue may underlie this poor recovery. Experiments were performed to compare the recovery of Aspergillus spp. incubated at 35 degrees C in 6% O(2)-10% CO(2) with that at 25 degrees C in room air. The samples tested included Aspergillus-infected tissue specimens from a dog model and human autopsies, experimental anaerobically stressed Aspergillus inocula, and 10,062 consecutive clinical specimens. Culture at 35 degrees C in 6% O(2)-10% CO(2) significantly enhanced the recovery of Aspergillus spp. from the infected autopsy tissue samples. Incubation at 35 degrees C alone resulted in approximately 10-fold-improved culture recovery from the experimentally stressed hyphae, and the 6% O(2)-10% CO(2) atmosphere independently favored growth under temperature-matched conditions. Finally, incubation at 35 degrees C (in room air) improved the overall recovery of Aspergillus spp. from clinical specimens by 31%. Culture at 35 degrees C in a microaerobic atmosphere significantly enhances the recovery of Aspergillus spp. from various sources. Aspergillus hyphae growing in infected tissue appear to be adapted to the physiologic temperature and hypoxic milieu.

Experimental and Numerical Investigation of Guest Molecule Exchange Kinetics based on the 2012 Ignik Sikumi Gas Hydrate Field Trial

NASA Astrophysics Data System (ADS)

Ruprecht Yonkofski, C. M.; Horner, J.; White, M. D.

2015-12-01

In 2012 the U.S. DOE/NETL, ConocoPhillips Company, and Japan Oil, Gas and Metals National Corporation jointly sponsored the first field trial of injecting a mixture of N2-CO2 into a CH4-hydrate bearing formation beneath the permafrost on the Alaska North Slope. Known as the Ignik Sikumi #1 Gas Hydrate Field Trial, this experiment involved three stages: 1) the injection of a N2-CO2 mixture into a targeted hydrate-bearing layer, 2) a 4-day pressurized soaking period, and 3) a sustained depressurization and fluid production period. Data collected during the three stages of the field trial were made available after a thorough quality check. The Ignik Sikumi #1 data set is extensive, but contains no direct evidence of the guest-molecule exchange process. This study uses numerical simulation to provide an interpretation of the CH4/CO2/N2 guest molecule exchange process that occurred at Ignik Sikumi #1. Simulations were further informed by experimental observations. The goal of the scoping experiments was to understand kinetic exchange rates and develop parameters for use in Iġnik Sikumi history match simulations. The experimental procedure involves two main stages: 1) the formation of CH4 hydrate in a consolidated sand column at 750 psi and 2°C and 2) flow-through of a 77.5/22.5 N2/CO2 molar ratio gas mixture across the column. Experiments were run both above and below the hydrate stability zone in order to observe exchange behavior across varying conditions. The numerical simulator, STOMP-HYDT-KE, was then used to match experimental results, specifically fitting kinetic behavior. Once this behavior is understood, it can be applied to field scale models based on Ignik Sikumi #1.

Caries experience among children with type 1 diabetes in Kuwait.

PubMed

Akpata, Enosakhare Samuel; Alomari, Qasem; Mojiminiyi, Olusequn A; Al-Sanae, Hala

2012-01-01

The purpose of this study was to determine the association among type 1 diabetes mellitus (DM), caries experience, and salivary glucose in 12- to 15-year-olds in Kuwait. A cross-sectional design was chosen involving 53 DM patients and 53 nondiabetic controls, group-matched by age and sex to the experimental group. The DM patients comprised 2 groups: (1) 14 controlled DM children (glycated haemoglobin, HbA1c=<8); and (2) 39 children with uncontrolled DM (HbA1c>8). The children's caries experience, at the precavitation and cavitation diagnostic threshold, was measured. In addition, their frequency of sugar consumption, plaque index, salivary flow rate, buffering capacity, as well as mutans streptococci, lactobacilli, and yeast counts were recorded. The DM children had significantly higher caries experience both at precavitation and cavitation diagnostic thresholds, than the control group. Multiple logistic regression analysis showed age, frequency of sugar consumption, and resting salivary flow rate to be significantly associated with high caries experience among the diabetic children. Caries experience was significantly higher in children with type 1 diabetes than in nondiabetic controls.

Use of statistical design of experiments for surface modification of Kapton films by CF4sbnd O2 microwave plasma treatment

NASA Astrophysics Data System (ADS)

Grandoni, Andrea; Mannini, Giacomo; Glisenti, Antonella; Manariti, Antonella; Galli, Giancarlo

2017-10-01

A statistical design of experiments (DoE) was used to evaluate the effects of CF4sbnd O2 plasma on Kapton films in which the duration of treatment, volume ratio of plasma gases, and microwave power were selected as effective experimental factors for systematic investigation of surface modification. Static water contact angle (θW), polar component of surface free energy (γSp) and surface O/C atomic ratio were analyzed as response variables. A significant enhancement in wettability and polarity of the treated films compared to untreated Kapton films was observed; depending on the experimental conditions, θW very significantly decreased, showing full wettability, and γSp rose dramatically, up to ten times. Within the DoE the conditions of plasma treatment were identified that resulted in selected optimal values of θW, γSp and O/C responses. Surface chemical changes were detected by XPS and ATR-IR investigations that evidenced both the introduction of fluorinated groups and the opening of the imide ring in the plasma-treated films.

Rewetting of Monogroove Heat Pipe in Space Station Radiators

NASA Technical Reports Server (NTRS)

Chan, S. H.; Shen, Ting Rong; Blake, John

1996-01-01

Experimental investigation of the rewetting characteristics of a uniformly heated grooved surface was performed, the results of which are presented in this work. It was found that, for a rewetting fluid of 2-propanol, the rewetting temperature was approx. 93-96 C for the upward-facing case and about 2 C lower for the downwardfacing case. When the initial plate temperature was higher than the rewetting temperature, the rewetting speed decreased with the initial plate temperature. The rewetting speed is also faster in the upward-facing case than in the downward-facing case for the same initial plate temperatures, which indicates a gravitational effect on rewetting. This trend is found to be consistent with the previously investigated end heating condition. The rewetting distance that is predicted by the conduction controlled model is found to be in fair agreement with the experimental data. Also, an apparatus that enables experiments to be performed in a reduced gravitational environment has been built and experiments are currently being performed. The design of this apparatus is presented along with preliminary data.

Influence of H2O on Liquidus Temperatures of Primitive Basalts and Olivine-Liquid Thermometry.

NASA Astrophysics Data System (ADS)

Medard, E.; Grove, T. L.

2005-12-01

We have undertaken a systematic experimental study aimed at understanding the effect of water on olivine liquidus temperatures of primitive basalts. Experiments have been performed on a primitive tholeiitic basalt from Medicine Lake Volcano, California (sample 82-72f, Bartels et al. 1991). The dry liquidus has been characterized from 0.1 MPa to 1.2 GPa. The wet liquidus has been constrained to within 15 °C using water-saturated experiments performed in a MHC externally heated pressure vessel. Preliminary results show that the olivine-liquidus depression (i.e., the difference between dry and water-bearing liquidus) is essentially a linear function of the water content of the melt: ΔT = 560  X(HO0.5), where X(HO0.5) is the mole fraction of water, calculated on a single-cation oxide basis. For 82-72f, this roughly translates into a 30 °C / wt% H2O depression. Simple systems (e.g., diopside/H2O, albite/H2O) suggest that melt structure / composition may have an influence on H2O liquidus depression, and this potential influence is currently under investigation. Experimental phase equilibria and thermobarometry of primitive basalts provide the primary evidence for estimating melting conditions and thermal structures in the Earth's mantle. Assessing the influence of H2O is critical, because it is the dominant volatile component involved in igneous processes, and it has been shown to cause a significant reduction in liquidus temperatures. However, recent model parameterizations vary from very large effects at low H2O contents (about 75 °C at 1 wt% H2O, Falloon and Danyushevsky 2000) to linear effect of H2O vs liquidus temperature (about 25 °C at 1 wt% H2O, Sugawara 2000). Our experimental determination more closely approximates the latter model. A key consequence is that the presence of small amounts of water in MORB magmas (< 1wt%) will only have a very small effect (< 30 °C) on liquidus temperature determination for mid-ocean-ridges. For magmas that are more water-rich, as observed in subduction zones, ocean island and continental magmatism, this parameterization of H2O liquidus depression can be included in existing thermodynamic models to retrieve magmatic temperatures from petrology of primitive basalts.

Vacuum ultraviolet photolysis of hydrogenated amorphous carbons. III. Diffusion of photo-produced H2 as a function of temperature

NASA Astrophysics Data System (ADS)

Martín-Doménech, R.; Dartois, E.; Muñoz Caro, G. M.

2016-06-01

Context. Hydrogenated amorphous carbon (a-C:H) has been proposed as one of the carbonaceous solids detected in the interstellar medium. Energetic processing of the a-C:H particles leads to the dissociation of the C-H bonds and the formation of hydrogen molecules and small hydrocarbons. Photo-produced H2 molecules in the bulk of the dust particles can diffuse out to the gas phase and contribute to the total H2 abundance. Aims: We have simulated this process in the laboratory with plasma-produced a-C:H and a-C:D analogs under astrophysically relevant conditions to investigate the dependence of the diffusion as a function of temperature. Methods: Experimental simulations were performed in a high-vacuum chamber, with complementary experiments carried out in an ultra-high-vacuum chamber. Plasma-produced a-C:H and a-C:D analogs were UV-irradiated using a microwave-discharged hydrogen flow lamp. Molecules diffusing to the gas-phase were detected by a quadrupole mass spectrometer, providing a measurement of the outgoing H2 or D2 flux. By comparing the experimental measurements with the expected flux from a one-dimensional diffusion model, a diffusion coefficient D could be derived for experiments carried out at different temperatures. Results: Dependence on the diffusion coefficient D with the temperature followed an Arrhenius-type equation. The activation energy for the diffusion process was estimated (ED(H2) = 1660 ± 110 K, ED(D2) = 2090 ± 90 K), as well as the pre-exponential factor (D0(H2) = 0.0007 cm2 s-1, D0(D2) = 0.0045 cm2 s-1). Conclusions: The strong decrease of the diffusion coefficient at low dust particle temperatures exponentially increases the diffusion times in astrophysical environments. Therefore, transient dust heating by cosmic rays needs to be invoked for the release of the photo-produced H2 molecules in cold photon-dominated regions, where destruction of the aliphatic component in hydrogenated amorphous carbons most probably takes place.

Laboratory Studies in UV and EUV Solar Physics

NASA Technical Reports Server (NTRS)

Wagner, William J. (Technical Monitor); Kohl, John L.

2005-01-01

A new 5 GHZ Electron Cyclotron Resonance (ECR) ion source for SAO's Ion Beam Experiment was designed, built and tested. Absolute cross sections were measured for electron impact excitation (EIE) in C(2+) (2s2p (3)P(sup o) - 2p(sup 2) (3)P), and empirical EIE rate coefficients were derived. The absolute cross section for EIE in Si(2+) (3s3p (3)P(sup o) - 3s3p (1)P(sup o)) was measured, and our experimental values for absolute cross sections for EIE in C(3+) (2s (2)S - 2p (2)P(sup o)) were reanalyzed and compared to values obtained by other experimental methods and by theory. In addition, a paper was published. The development and testing of the new ion source, the Si(2+) EIE measurements, and the reevaluation of the cross sections for C(3+) resulted from the Ph.D. research of Paul H. Janzen who completed the degree requirements for the Harvard University Department of Physics in 2002. John Kohl served as the Ph.D.Thesis Advisor. Because of delays in bringing the new ion source on line, the measurements of EIE in C(2+) (2s2p (3)P(sup o) - (2)p(sup 2) (3)P) were not completed until 2004. Preparations for measurements of EIE in C(2+) (1s(sup 2) (1)S - 2s2p (1)P(sup o)) are currently underway.

Evaluating reaction pathways of hydrothermal abiotic organic synthesis at elevated temperatures and pressures using carbon isotopes

NASA Astrophysics Data System (ADS)

Fu, Qi; Socki, Richard A.; Niles, Paul B.

2015-04-01

Experiments were performed to better understand the role of environmental factors on reaction pathways and corresponding carbon isotope fractionations during abiotic hydrothermal synthesis of organic compounds using piston cylinder apparatus at 750 °C and 5.5 kbars. Chemical compositions of experimental products and corresponding carbon isotopic values were obtained by a Pyrolysis-GC-MS-IRMS system. Alkanes (methane and ethane), straight-chain saturated alcohols (ethanol and n-butanol) and monocarboxylic acids (formic and acetic acids) were generated with ethanol being the only organic compound with higher δ13C than CO2. CO was not detected in experimental products owing to the favorable water-gas shift reaction under high water pressure conditions. The pattern of δ13C values of CO2, carboxylic acids and alkanes are consistent with their equilibrium isotope relationships: CO2 > carboxylic acids > alkanes, but the magnitude of the fractionation among them is higher than predicted isotope equilibrium values. In particular, the isotopic fractionation between CO2 and CH4 remained constant at ∼31‰, indicating a kinetic effect during CO2 reduction processes. No "isotope reversal" of δ13C values for alkanes or carboxylic acids was observed, which indicates a different reaction pathway than what is typically observed during Fischer-Tropsch synthesis under gas phase conditions. Under constraints imposed in experiments, the anomalous 13C isotope enrichment in ethanol suggests that hydroxymethylene is the organic intermediate, and that the generation of other organic compounds enriched in 12C were facilitated by subsequent Rayleigh fractionation of hydroxymethylene reacting with H2 and/or H2O. Carbon isotope fractionation data obtained in this study are instrumental in assessing the controlling factors on abiotic formation of organic compounds in hydrothermal systems. Knowledge on how environmental conditions affect reaction pathways of abiotic synthesis of organic compounds is critical for understanding deep subsurface ecosystems and the origin of organic compounds on Mars and other planets.

A dual-phase microstructural approach to damage and fracture of Ti 3SiC 2/SiC joints

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

We investigate the microcracking mechanisms responsible for Ti 3SiC 2/SiC joint damage observed at the macroscopic scale after neutron irradiation experiments in detail. A dual-phase microstructural approach to damage and fracture of Ti 3SiC 2/SiC joints is developed that uses a finely discretized two-phase domain based on a digital image of an actual microstructure involving embedded Ti 3SiC 2 and SiC phases. The behaviors of SiC and Ti 3SiC 2 in the domain are described by the continuum damage mechanics (CDM) model reported in Nguyen et al., J. Nucl. Mater., 2017, 495:504–515. This CDM model describes microcracking damage in brittlemore » ceramics caused by thermomechanical loading and irradiation-induced swelling. The dual-phase microstructural model is applied to predict the microcracking mechanisms occurring in a typical Ti 3SiC 2/SiC joint subjected to heating to 800 °C followed by irradiation-induced swelling at this temperature and cooling to room temperature after the applied swelling has reached the maximum swelling levels observed in the experiments for SiC and Ti 3SiC 2. The model predicts minor damage of the joint after heating but significant microcracking in the SiC phase and along the boundaries between SiC and Ti 3SiC 2 as well as along the bonding joint during irradiation-induced swelling and cooling to room temperature. Our predictions qualitatively agree with the limited experimental observations of joint damage at this irradiation temperature.« less

A dual-phase microstructural approach to damage and fracture of Ti 3SiC 2/SiC joints

DOE PAGES

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

2017-12-05

We investigate the microcracking mechanisms responsible for Ti 3SiC 2/SiC joint damage observed at the macroscopic scale after neutron irradiation experiments in detail. A dual-phase microstructural approach to damage and fracture of Ti 3SiC 2/SiC joints is developed that uses a finely discretized two-phase domain based on a digital image of an actual microstructure involving embedded Ti 3SiC 2 and SiC phases. The behaviors of SiC and Ti 3SiC 2 in the domain are described by the continuum damage mechanics (CDM) model reported in Nguyen et al., J. Nucl. Mater., 2017, 495:504–515. This CDM model describes microcracking damage in brittlemore » ceramics caused by thermomechanical loading and irradiation-induced swelling. The dual-phase microstructural model is applied to predict the microcracking mechanisms occurring in a typical Ti 3SiC 2/SiC joint subjected to heating to 800 °C followed by irradiation-induced swelling at this temperature and cooling to room temperature after the applied swelling has reached the maximum swelling levels observed in the experiments for SiC and Ti 3SiC 2. The model predicts minor damage of the joint after heating but significant microcracking in the SiC phase and along the boundaries between SiC and Ti 3SiC 2 as well as along the bonding joint during irradiation-induced swelling and cooling to room temperature. Our predictions qualitatively agree with the limited experimental observations of joint damage at this irradiation temperature.« less

Effects of experimental water table and temperature manipulations on ecosystem CO2 fluxes in an Alaskan rich fen

Treesearch

M.R. Chivers; M.R. Turetsky; J.M. Waddington; J.W. Harden; A.D. McGuire

2009-01-01

Peatlands store 30% of the world's terrestrial soil carbon (C) and those located at northern latitudes are expected to experience rapid climate warming. We monitored growing season carbon dioxide (CO2) fluxes across a factorial design of in situ water table (control, drought, and flooded plots) and soil warming (control vs. warming via open...

Experimental determination of carbon partitioning between upper mantle minerals and silicate melts: initial results and comparison to trace element partitioning (Nb, Rb, Ba, U, Th, K)

NASA Astrophysics Data System (ADS)

Rosenthal, A.; Hauri, E. H.; Hirschmann, M. M.; Davis, F. A.; Withers, A. C.; Fogel, M. L.

2012-12-01

Inventories of C in the mantle and magmatic fluxes of C between the mantle and the Earth's outer envelopes are poorly constrained in part owing to challenges in determining undegassed C concentrations of pristine basalts. Saal et al. [1] proposed that the behavior of Nb could be used as a proxy for C, owing to apparently similar behavior of the two elements in Siqueiros Transform MORB, but higher C/Nb ratios in popping rocks [2] call into question the applicability of the C/Nb proxy. Here, we present experimentally determined carbon partition coefficients (D's) between nominally volatile-free mantle minerals (olivine, OL; orthopyroxene, OPX; clinopyroxene, CPX; garnet, GA) and melts at 0.8-3 GPa, and 1250-1500°C. We conducted piston-cylinder experiments using an olivine-tholeiite + 4 wt% CO2, doped with Nb, Rb, U, Th, and 13C to enhance detection limits. To promote growth of crystals big enough for SIMS analyses, experiments were either long (<6 days), or at an initial higher temperature (T) before cooling slowly to a target T. We also produced SIMS calibration glass standards with varying amounts of C, and subject to ongoing analyses. We analyzed carbon (12C, 13C), H, F, and trace elements (Nb, Rb, Ba, U, Th, K) of both mineral phases and quenched liquids in subsets of experimental runs (21 in graphite-lined Pt-capsules, 6 in Fe-doped Pt-lined capsules) using both Cameca IMS 6F and NanoSIMS instruments. D's measured for 12C and 13C are close to 5x10-4, in most cases D13C>D12C, but a few have the opposite. Continuous exchange of the liquid (initially rich in 13C) with the graphite capsules (rich in 12C) may yield D's with 13C>12C. D's with 12C>13C are likely owing to either low count rates or comparatively high analytical contamination. Concentrations in minerals vary from 0.20-3.46 ppm for C, 25-176 ppm for H2O, and 0.05-1.21 ppm for F, whereas liquids tend to much higher values (C≤0.9 wt%; H2O≤1.5 wt%; F≤34 ppm; P≤0.25 wt%; S≤43 ppm; Cl≤77 ppm). Resulting D's indicate that C is highly incompatible in all major mantle mineral phases, with D's for OL, OPX and CPX of close to 5x10-4, and for GA ~2.2x10-4. D's for H2O (2x10-4 to ~3x10-2) and F (~2.3x10-3 to ~5.8x10-2) are comparable to those found in previous studies. Trace element partition determinations are in progress, but comparison to previous studies indicates that carbon is significantly more incompatible during mantle melting than Nb, U, or Th, and has behavior approximately similar to Ba. We therefore suggest that undegassed C/Ba ratios may be useful indicators of C fluxes and concentrations in basalt source regions where very low degrees of melting might fractionate C/Nb ratios. [1] Saal, A, Hauri, EH, Langmuir, CH, Perfit, M (2002) Nature 419, 451-455. [2] Cartigny, P, Pineau, F, Aubaud, C, Javoy, M (2008) Earth Planet Sci Lett 265, 672-685.

Experimental study on fatigue crack propagation rate of RC beam strengthened with carbon fiber laminate

NASA Astrophysics Data System (ADS)

Huang, Peiyan; Liu, Guangwan; Guo, Xinyan; Huang, Man

2008-11-01

The experimental research on fatigue crack propagation rate of reinforced concrete (RC) beams strengthened with carbon fiber laminate (CFL) is carried out by MTS system in this paper. The experimental results show that, the main crack propagation on strengthened beam can be summarized into three phases: 1) fast propagation phase; 2) steady propagation and rest phase; 3) unsteady propagation phase. The phase 2-i.e. steady propagation and rest stage makes up about 95% of fatigue life of the strengthened beam. The propagation rate of the main crack, da/dN, in phase 2 can be described by Paris formula, and the constant C and m can be confirmed by the fatigue crack propagation experiments of the RC beams strengthened with CFL under three-point bending loads.

Differential cross-sections measurements for hadrontherapy: 50 MeV/A 12C reactions on H, C, O, Al and natTi targets

NASA Astrophysics Data System (ADS)

Divay, C.; Colin, J.; Cussol, D.; Finck, Ch.; Karakaya, Y.; Labalme, M.; Rousseau, M.; Salvador, S.; Vanstalle, M.

2017-09-01

In order to keep the benefits of a carbon treatment, the dose and biological effects induced by secondary fragments must be taken into account when simulating the treatment plan. These Monte-Carlo simulations codes are done using nuclear models that are constrained by experimental data. It is hence necessary to have precise measurements of the production rates of these fragments all along the beam path and for its whole energy range. In this context, a series of experiments aiming to measure the double differential fragmentation cross-sections of carbon on thin targets of medical interest has been started by our collaboration. In March 2015, an experiment was performed with a 50 MeV/nucleon 12C beam at GANIL. During this experiment, energy and angular differential cross-section distributions on H, C, O, Al and natTi have been measured. In the following, the experimental set-up and analysis process are briefly described and some experimental results are presented. Comparisons between several exit channel models from Phits and Geant4 show great discrepancies with the experimental data. Finally, the homemade Sliipie model is briefly presented and preliminary results are compared to the data with a promising outcome.

Combining multinuclear high-resolution solid-state MAS NMR and computational methods for resonance assignment of glutathione tripeptide.

PubMed

Sardo, Mariana; Siegel, Renée; Santos, Sérgio M; Rocha, João; Gomes, José R B; Mafra, Luis

2012-06-28

We present a complete set of experimental approaches for the NMR assignment of powdered tripeptide glutathione at natural isotopic abundance, based on J-coupling and dipolar NMR techniques combined with (1)H CRAMPS decoupling. To fully assign the spectra, two-dimensional (2D) high-resolution methods, such as (1)H-(13)C INEPT-HSQC/PRESTO heteronuclear correlations (HETCOR), (1)H-(1)H double-quantum (DQ), and (1)H-(14)N D-HMQC correlation experiments, have been used. To support the interpretation of the experimental data, periodic density functional theory calculations together with the GIPAW approach have been used to calculate the (1)H and (13)C chemical shifts. It is found that the shifts calculated with two popular plane wave codes (CASTEP and Quantum ESPRESSO) are in excellent agreement with the experimental results.

Experimental control of a fluidic pinball using genetic programming

NASA Astrophysics Data System (ADS)

Raibaudo, Cedric; Zhong, Peng; Noack, Bernd R.; Martinuzzi, Robert J.

2017-11-01

The wake stabilization of a triangular cluster of three rotating cylinders was investigated in the present study. Experiments were performed at Reynolds number Re 6000, and compared with URANS-2D simulations at same flow conditions. 2D2C PIV measurements and constant temperature anemometry were used to characterize the flow without and with actuation. Open-loop actuation was first considered for the identification of particular control strategies. Machine learning control was also implemented for the experimental study. Linear genetic programming has been used for the optimization of open-loop parameters and closed-loop controllers. Considering a cost function J based on the fluctuations of the velocity measured by the hot-wire sensor, significant performances were achieved using the machine learning approach. The present work is supported by the senior author's (R. J. Martinuzzi) NSERC discovery Grant. C. Raibaudo acknowledges the financial support of the University of Calgary Eyes-High PDF program.

Stable Trapping of Multielectron Helium Bubbles in a Paul Trap

NASA Astrophysics Data System (ADS)

Joseph, E. M.; Vadakkumbatt, V.; Pal, A.; Ghosh, A.

2017-06-01

In a recent experiment, we have used a linear Paul trap to store and study multielectron bubbles (MEBs) in liquid helium. MEBs have a charge-to-mass ratio (between 10^{-4} and 10^{-2} C/kg) which is several orders of magnitude smaller than ions (between 10^6 and 10^8 C/kg) studied in traditional ion traps. In addition, MEBs experience significant drag force while moving through the liquid. As a result, the experimental parameters for stable trapping of MEBs, such as magnitude and frequency of the applied electric fields, are very different from those used in typical ion trap experiments. The purpose of this paper is to model the motion of MEBs inside a linear Paul trap in liquid helium, determine the range of working parameters of the trap, and compare the results with experiments.

Amphibole reaction rims as a record of pre-eruptive magmatic heating: An experimental approach

USGS Publications Warehouse

De Angelis, S. H.; Larsen, J.; Coombs, Michelle L.; Dunn, A.; Hayden, Leslie A.

2015-01-01

Magmatic minerals record the pre-eruptive timescales of magma ascent and mixing in crustal reservoirs and conduits. Investigations of the mineral records of magmatic processes are fundamental to our understanding of what controls eruption style, as ascent rates and magma mixing processes are well known to control and/or trigger potentially hazardous explosive eruptions. Thus, amphibole reaction rims are often used to infer pre-eruptive magma dynamics, and in particular to estimate magma ascent rates. However, while several experimental studies have investigated amphibole destabilization during decompression, only two investigated thermal destabilization relevant to magma mixing processes. This study examines amphibole decomposition experimentally through isobaric heating of magnesio-hornblende phenocrysts within a natural high-silica andesite glass. The experiments first equilibrated for 24 h at 870 °C and 140 MPa at H2O-saturated conditions and ƒO2 ∼ Re–ReO prior to rapid heating to 880, 900, or 920 °C and hold times of 3–48 h. At 920 °C, rim thicknesses increased from 17 μm after 3 h, to 55 μm after 12 h, and became pseudomorphs after longer durations. At 900 °C, rim thicknesses increased from 7 μm after 3 h, to 80 μm after 24 h, to pseudomorphs after longer durations. At 880 °C, rim thicknesses increased from 7 μm after 3 h, to 18 μm after 36 h, to pseudomorphs after 48 h. Reaction rim microlites vary from 5–16 μm in size, with no systematic relationship between crystal size and the duration or magnitude of heating. Time-averaged rim microlite growth rates decrease steadily with increasing experimental duration (from  to 3.1 to ). Time-averaged microlite nucleation rates also decrease with increasing experimental duration (from  to 5.3 mm−3 s−1). There is no systematic relationship between time-averaged growth or nucleation rates and the magnitude of the heating step. Ortho- and clinopyroxene together constitute 57–90 modal % mineralogy in each reaction rim. At constant temperature, clinopyroxene abundances decrease with increasing experimental duration, from 72 modal % (3 h at 900 °C) to 0% (48 h at 880 °C, and 36 h at 900 and 920 °C). Fe–Ti oxides increase from 6–12 modal % (after 3–6 h) to 26–34 modal % (after 36–48 h). Plagioclase occurs in relatively minor amounts (<1–11 modal %), with anorthite contents that increase from An56 to An88 from 3 to 36 h of heating. Distal glass compositions (>500 μm from reacted amphibole) are consistent with inter-microlite rim glasses (71.3–77.7 wt.% SiO2) within a given experiment and there is a weakly positive correlation between increasing run duration and inter-microlite melt SiO2 (68.9–78.5 wt.%). Our results indicate that experimental heating-induced amphibole reaction rims have thicknesses, textures, and mineralogies consistent with many of the natural reaction rims seen at arc-andesite volcanoes. They are also texturally consistent with experimental decompression reaction rims. On this basis it may be challenging to distinguish between decompression and heating mechanisms in nature.

The structure of poly(carbonsuboxide) on the atomic scale: a solid-state NMR study.

PubMed

Schmedt auf der Günne, Jörn; Beck, Johannes; Hoffbauer, Wilfried; Krieger-Beck, Petra

2005-07-18

In this contribution we present a study of the structure of amorphous poly(carbonsuboxide) (C3O2)x by 13C solid-state NMR spectroscopy supported by infrared spectroscopy and chemical analysis. Poly(carbonsuboxide) was obtained by polymerization of carbonsuboxide C3O2, which in turn was synthesized from malonic acid bis(trimethylsilylester). Two different 13C labeling schemes were applied to probe inter- and intramonomeric bonds in the polymer by dipolar solid-state NMR methods and also to allow quantitative 13C MAS NMR spectra. Four types of carbon environments can be distinguished in the NMR spectra. Double-quantum and triple-quantum 2D correlation experiments were used to assign the observed peaks using the through-space and through-bond dipolar coupling. In order to obtain distance constraints for the intermonomeric bonds, double-quantum constant-time experiments were performed. In these experiments an additional filter step was applied to suppress contributions from not directly bonded 13C,13C spin pairs. The 13C NMR intensities, chemical shifts, connectivities and distances gave constraints for both the polymerization mechanism and the short-range order of the polymer. The experimental results were complemented by bond lengths predicted by density functional theory methods for several previously suggested models. Based on the presented evidence we can unambiguously exclude models based on gamma-pyronic units and support models based on alpha-pyronic units. The possibility of planar ladder- and bracelet-like alpha-pyronic structures is discussed.

[MSW incineration fly ash melting by DSC-DTA].

PubMed

Li, Rundong; Chi, Yong; Li, Shuiqing; Wang, Lei; Yan, Jianhua; Cen, Kefa

2002-07-01

Melting characteristics of two kinds of municipal solid waste incineration(MSWI) fly ash were studied in this paper by high temperature differential scanning calorimetry and differential temperature analysis. MSWI fly ash was considered as hazardous waste because it contains heavy metals and dioxins. The experiments were performed in either N2 or O2 atmosphere in temperature range of 20 degrees C-1450 degrees C at various heating rates. Two different MSW incineration fly ashes used in the experiments were collected from our country and France respectively. The process of fly ash melting exhibits two reactions occurring at temperature ranges of about 480 degrees C-670 degrees C and 1136 degrees C-1231 degrees C, respectively. The latent heat of polymorphic transformation and fusion were approximately 20 kJ/kg and 700 kJ/kg, while the total heat required for melting process was about 1800 kJ/kg. The paper also studied effect of CaO to melting. A heat flux thermodynamic model for fly ash melting was put forward and it agrees well with experimental data.

Partition of Ni between olivine and sulfide: the effect of temperature, f_{{text{O}}_{text{2}} } and f_{{text{S}}_{text{2}} }

NASA Astrophysics Data System (ADS)

Fleet, M. E.; Macrae, N. D.

1987-03-01

The experimental distribution coefficient for Ni/ Fe exchange between olivine and monosulfide (KD3) is 35.6±1.1 at 1385° C, f_{{text{O}}_{text{2}} } = 10^{ - 8.87} ,f_{{text{S}}_{text{2}} } = 10^{ - 1.02} , and olivine of composition Fo96 to Fo92. These are the physicochemical conditions appropriate to hypothesized sulfur-saturated komatiite magma. The present experiments equilibrated natural olivine grains with sulfide-oxide liquid in the presence of a (Mg, Fe)-alumino-silicate melt. By a variety of different experimental procedures, K D3 is shown to be essentially constant at about 30 to 35 in the temperature range 900 to 1400° C, for olivine of composition Fo97 to FoO, monosulfide composition with up to 70 mol. % NiS, and a wide range of f_{{text{O}}_{text{2}} } and f_{{text{S}}_{text{2}} }.

Experimental Investigation of Heat Transfer Characteristics of Automobile Radiator using TiO2-Nanofluid Coolant

NASA Astrophysics Data System (ADS)

Salamon, V.; Senthil kumar, D.; Thirumalini, S.

2017-08-01

The use of nanoparticle dispersed coolants in automobile radiators improves the heat transfer rate and facilitates overall reduction in size of the radiators. In this study, the heat transfer characteristics of water/propylene glycol based TiO2 nanofluid was analyzed experimentally and compared with pure water and water/propylene glycol mixture. Two different concentrations of nanofluids were prepared by adding 0.1 vol. % and 0.3 vol. % of TiO2 nanoparticles into water/propylene glycol mixture (70:30). The experiments were conducted by varying the coolant flow rate between 3 to 6 lit/min for various coolant temperatures (50°C, 60°C, 70°C, and 80°C) to understand the effect of coolant flow rate on heat transfer. The results showed that the Nusselt number of the nanofluid coolant increases with increase in flow rate. At low inlet coolant temperature the water/propylene glycol mixture showed higher heat transfer rate when compared with nanofluid coolant. However at higher operating temperature and higher coolant flow rate, 0.3 vol. % of TiO2 nanofluid enhances the heat transfer rate by 8.5% when compared to base fluids.

Experimental study of combustion characteristics of nanoscale metal and metal oxide additives in biofuel (ethanol)

PubMed Central

2011-01-01

An experimental investigation of the combustion behavior of nano-aluminum (n-Al) and nano-aluminum oxide (n-Al2O3) particles stably suspended in biofuel (ethanol) as a secondary energy carrier was conducted. The heat of combustion (HoC) was studied using a modified static bomb calorimeter system. Combustion element composition and surface morphology were evaluated using a SEM/EDS system. N-Al and n-Al2O3 particles of 50- and 36-nm diameters, respectively, were utilized in this investigation. Combustion experiments were performed with volume fractions of 1, 3, 5, 7, and 10% for n-Al, and 0.5, 1, 3, and 5% for n-Al2O3. The results indicate that the amount of heat released from ethanol combustion increases almost linearly with n-Al concentration. N-Al volume fractions of 1 and 3% did not show enhancement in the average volumetric HoC, but higher volume fractions of 5, 7, and 10% increased the volumetric HoC by 5.82, 8.65, and 15.31%, respectively. N-Al2O3 and heavily passivated n-Al additives did not participate in combustion reactively, and there was no contribution from Al2O3 to the HoC in the tests. A combustion model that utilized Chemical Equilibrium with Applications was conducted as well and was shown to be in good agreement with the experimental results. PMID:21711760

Balancing the (carbon) budget: Using linear inverse models to estimate carbon flows and mass-balance 13C:15N labelling experiments in low oxygen sediments.

NASA Astrophysics Data System (ADS)

Hunter, William Ross; Van Oevelen, Dick; Witte, Ursula

2013-04-01

Over 1 million km2 of seafloor experience permanent low-oxygen conditions within oxygen minimum zones (OMZs). OMZs are predicted to grow as a consequence of climate change, potentially affecting oceanic biogeochemical cycles. The Arabian Sea OMZ impinges upon the western Indian continental margin at bathyal depths (150 - 1500m) producing a strong depth dependent oxygen gradient at the sea floor. The influence of the OMZ upon the short term processing of organic matter by sediment ecosystems was investigated using in situ stable isotope pulse chase experiments. These deployed doses of 13C:15N labeled organic matter onto the sediment surface at four stations from across the OMZ (water depth 540 - 1100 m; [O2] = 0.35 - 15 μM). In order to prevent experimentally anoxia, the mesocosms were not sealed. 13C and 15N labels were traced into sediment, bacteria, fauna and 13C into sediment porewater DIC and DOC. However, the DIC and DOC flux to the water column could not be measured, limiting our capacity to obtain mass-balance for C in each experimental mesocosm. Linear Inverse Modeling (LIM) provides a method to obtain a mass-balanced model of carbon flow that integrates stable-isotope tracer data with community biomass and biogeochemical flux data from a range of sources. Here we present an adaptation of the LIM methodology used to investigate how ecosystem structure influenced carbon flow across the Indian margin OMZ. We demonstrate how oxygen conditions affect food-web complexity, affecting the linkages between the bacteria, foraminifera and metazoan fauna, and their contributions to benthic respiration. The food-web models demonstrate how changes in ecosystem complexity are associated with oxygen availability across the OMZ and allow us to obtain a complete carbon budget for the stationa where stable-isotope labelling experiments were conducted.

Photocatalytic degradation using design of experiments: a review and example of the Congo red degradation.

PubMed

Sakkas, Vasilios A; Islam, Md Azharul; Stalikas, Constantine; Albanis, Triantafyllos A

2010-03-15

The use of chemometric methods such as response surface methodology (RSM) based on statistical design of experiments (DOEs) is becoming increasingly widespread in several sciences such as analytical chemistry, engineering and environmental chemistry. Applied catalysis, is certainly not the exception. It is clear that photocatalytic processes mated with chemometric experimental design play a crucial role in the ability of reaching the optimum of the catalytic reactions. The present article reviews the major applications of RSM in modern experimental design combined with photocatalytic degradation processes. Moreover, the theoretical principles and designs that enable to obtain a polynomial regression equation, which expresses the influence of process parameters on the response are thoroughly discussed. An original experimental work, the photocatalytic degradation of the dye Congo red (CR) using TiO(2) suspensions and H(2)O(2), in natural surface water (river water) is comprehensively described as a case study, in order to provide sufficient guidelines to deal with this subject, in a rational and integrated way. (c) 2009 Elsevier B.V. All rights reserved.

Experimental (FT-IR, FT-Raman, 1H, 13C NMR) and theoretical study of alkali metal 2-aminobenzoates

NASA Astrophysics Data System (ADS)

Samsonowicz, M.; Świsłocka, R.; Regulska, E.; Lewandowski, W.

2008-09-01

The influence of lithium, sodium, potassium, rubidium and cesium on the electronic system of the 2-aminobenzoic acid was studied by the methods of molecular spectroscopy. The vibrational (FT-IR, FT-Raman) and NMR ( 1H and 13C) spectra for 2-aminobenzoic acid and its alkali metal salts were recorded. The assignment of vibrational spectra was done on the basis of literature data, theoretical calculations and our previous experience. Characteristic shifts of bands and changes in intensities of bands along the metal series were observed. The changes of chemical shifts of protons ( 1H NMR) and carbons ( 13C NMR) in the series of studied alkali metal 2-aminobenzoates were observed too. Optimized geometrical structures of studied compounds were calculated by B3LYP method using 6-311++G ∗∗ basis set. Geometric aromaticity indices, dipole moments and energies were also calculated. The theoretical wavenumbers and intensities of IR and Raman spectra were obtained. The calculated parameters were compared to experimental characteristic of studied compounds.

First Direct-Detection Constraints on eV-Scale Hidden-Photon Dark Matter with DAMIC at SNOLAB

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aguilar-Arevalo, A.; Amidei, D.; Bertou, X.

We present direct detection constraints on the absorption of hidden-photon dark matter with particle masses in the range 1.2-30 eVmore » $$c^{-2}$$ with the DAMIC experiment at SNOLAB. Under the assumption that the local dark matter is entirely constituted of hidden photons, the sensitivity to the kinetic mixing parameter $$\\kappa$$ is competitive with constraints from solar emission, reaching a minimum value of 2.2$$\\times$$$10^{-14}$$ at 17 eV$$c^{-2}$$. These results are the most stringent direct detection constraints on hidden-photon dark matter with masses 3-12 eV$$c^{-2}$$ and the first demonstration of direct experimental sensitivity to ionization signals $<$12 eV from dark matter interactions.« less

Multi-channel transport experiments at Alcator C-Mod and comparison with gyrokinetic simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, A. E.; Howard, N. T.; Greenwald, M.

2013-05-15

Multi-channel transport experiments have been conducted in auxiliary heated (Ion Cyclotron Range of Frequencies) L-mode plasmas at Alcator C-Mod [Marmar and Alcator C-Mod Group, Fusion Sci. Technol. 51(3), 3261 (2007)]. These plasmas provide good diagnostic coverage for measurements of kinetic profiles, impurity transport, and turbulence (electron temperature and density fluctuations). In the experiments, a steady sawtoothing L-mode plasma with 1.2 MW of on-axis RF heating is established and density is scanned by 20%. Measured rotation profiles change from peaked to hollow in shape as density is increased, but electron density and impurity profiles remain peaked. Ion or electron heat fluxesmore » from the two plasmas are the same. The experimental results are compared directly to nonlinear gyrokinetic theory using synthetic diagnostics and the code GYRO [Candy and Waltz, J. Comput. Phys. 186, 545 (2003)]. We find good agreement with experimental ion heat flux, impurity particle transport, and trends in the fluctuation level ratio (T(tilde sign){sub e}/T{sub e})/(ñ{sub e}/n{sub e}), but underprediction of electron heat flux. We find that changes in momentum transport (rotation profiles changing from peaked to hollow) do not correlate with changes in particle transport, and also do not correlate with changes in linear mode dominance, e.g., Ion Temperature Gradient versus Trapped Electron Mode. The new C-Mod results suggest that the drives for momentum transport differ from drives for heat and particle transport. The experimental results are inconsistent with present quasilinear models, and the strong sensitivity of core rotation to density remains unexplained.« less

Experimentally determined rock-fluid interactions applicable to a natural hot dry rock geothermal system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Charles, R.W.; Holley, C.E. Jr.; Tester, J.W.

1980-02-01

The Los Alamos Scientific Laboratory is pursuing laboratory and field experiments in the development of the Hot Dry Rock concept of geothermal energy. The field program consists of experiments in a hydraulically fractured region of low permeability in which hot rock is intercepted by two wellbores. These experiments are designed to test reservoir engineering parameters such as: heat extraction rates, water loss rates, flow characteristics including impedance and buoyancy, seismic activity and fluid chemistry. Laboratory experiments have been designed to provide information on the mineral reactivity which may be encountered in the field program. Two experimental circulation systems have beenmore » built to study the rates of dissolution and alteration in dynamic flow. Solubility studies have been done in agitated systems. To date, pure minerals, samples of the granodiorite from the actual reservoir and Tijeras Canyon granite have been reacted with distilled water and various solutions of NaCl, NaOH, and Na/sub 2/CO/sub 3/. The results of these experimental systems are compared to observations made in field experiments done in a hot dry rock reservoir at a depth of approximately 3 km with initial rock temperatures of 150 to 200/sup 0/C.« less

Air drying modelling of Mastocarpus stellatus seaweed a source of hybrid carrageenan

NASA Astrophysics Data System (ADS)

Arufe, Santiago; Torres, Maria D.; Chenlo, Francisco; Moreira, Ramon

2018-01-01

Water sorption isotherms from 5 up to 65 °C and air drying kinetics at 35, 45 and 55 °C of Mastocarpus stellatus seaweed were determined. Experimental sorption data were modelled using BET and Oswin models. A four-parameter model, based on Oswin model, was proposed to estimate equilibrium moisture content as function of water activity and temperature simultaneously. Drying experiments showed that water removal rate increased significantly with temperature from 35 to 45 °C, but at higher temperatures drying rate remained constant. Some chemical modifications of the hybrid carrageenans present in the seaweed can be responsible of this unexpected thermal trend. Experimental drying data were modelled using two-parameter Page model (n, k). Page parameter n was constant (1.31 ± 0.10) at tested temperatures, but k varied significantly with drying temperature (from 18.5 ± 0.2 10-3 min-n at 35 °C up to 28.4 ± 0.8 10-3 min-n at 45 and 55 °C). Drying experiments allowed the determination of the critical moisture content of seaweed (0.87 ± 0.06 kg water (kg d.b.)-1). A diffusional model considering slab geometry was employed to determine the effective diffusion coefficient of water during the falling rate period at different temperatures.

Climatic modifiers of the response to nitrogen deposition in peat-forming Sphagnum mosses: a meta-analysis.

PubMed

Limpens, J; Granath, G; Gunnarsson, U; Aerts, R; Bayley, S; Bragazza, L; Bubier, J; Buttler, A; van den Berg, L J L; Francez, A-J; Gerdol, R; Grosvernier, P; Heijmans, M M P D; Hoosbeek, M R; Hotes, S; Ilomets, M; Leith, I; Mitchell, E A D; Moore, T; Nilsson, M B; Nordbakken, J-F; Rochefort, L; Rydin, H; Sheppard, L J; Thormann, M; Wiedermann, M M; Williams, B L; Xu, B

2011-07-01

Peatlands in the northern hemisphere have accumulated more atmospheric carbon (C) during the Holocene than any other terrestrial ecosystem, making peatlands long-term C sinks of global importance. Projected increases in nitrogen (N) deposition and temperature make future accumulation rates uncertain. Here, we assessed the impact of N deposition on peatland C sequestration potential by investigating the effects of experimental N addition on Sphagnum moss. We employed meta-regressions to the results of 107 field experiments, accounting for sampling dependence in the data. We found that high N loading (comprising N application rate, experiment duration, background N deposition) depressed Sphagnum production relative to untreated controls. The interactive effects of presence of competitive vascular plants and high tissue N concentrations indicated intensified biotic interactions and altered nutrient stochiometry as mechanisms underlying the detrimental N effects. Importantly, a higher summer temperature (mean for July) and increased annual precipitation intensified the negative effects of N. The temperature effect was comparable to an experimental application of almost 4 g N m(-2)  yr(-1) for each 1°C increase. Our results indicate that current rates of N deposition in a warmer environment will strongly inhibit C sequestration by Sphagnum-dominated vegetation. © 2011 The Authors. New Phytologist © 2011 New Phytologist Trust.

The response of a boreal deep-sea sponge holobiont to acute thermal stress.

PubMed

Strand, R; Whalan, S; Webster, N S; Kutti, T; Fang, J K H; Luter, H M; Bannister, R J

2017-05-22

Effects of elevated seawater temperatures on deep-water benthos has been poorly studied, despite reports of increased seawater temperature (up to 4 °C over 24 hrs) coinciding with mass mortality events of the sponge Geodia barretti at Tisler Reef, Norway. While the mechanisms driving these mortality events are unclear, manipulative laboratory experiments were conducted to quantify the effects of elevated temperature (up to 5 °C, above ambient levels) on the ecophysiology (respiration rate, nutrient uptake, cellular integrity and sponge microbiome) of G. barretti. No visible signs of stress (tissue necrosis or discolouration) were evident across experimental treatments; however, significant interactive effects of time and treatment on respiration, nutrient production and cellular stress were detected. Respiration rates and nitrogen effluxes doubled in responses to elevated temperatures (11 °C & 12 °C) compared to control temperatures (7 °C). Cellular stress, as measured through lysosomal destabilisation, was 2-5 times higher at elevated temperatures than for control temperatures. However, the microbiome of G. barretti remained stable throughout the experiment, irrespective of temperature treatment. Mortality was not evident and respiration rates returned to pre-experimental levels during recovery. These results suggest other environmental processes, either alone or in combination with elevated temperature, contributed to the mortality of G. barretti at Tisler reef.

Density functional theory and an experimentally-designed energy functional of electron density.

PubMed

Miranda, David A; Bueno, Paulo R

2016-09-21

We herein demonstrate that capacitance spectroscopy (CS) experimentally allows access to the energy associated with the quantum mechanical ground state of many-electron systems. Priorly, electrochemical capacitance, C [small mu, Greek, macron] [ρ], was previously understood from conceptual and computational density functional theory (DFT) calculations. Thus, we herein propose a quantum mechanical experiment-based variational method for electron charging processes based on an experimentally-designed functional of the ground state electron density. In this methodology, the electron state density, ρ, and an energy functional of the electron density, E [small mu, Greek, macron] [ρ], can be obtained from CS data. CS allows the derivative of the electrochemical potential with respect to the electron density, (δ[small mu, Greek, macron][ρ]/δρ), to be obtained as a unique functional of the energetically minimised system, i.e., β/C [small mu, Greek, macron] [ρ], where β is a constant (associated with the size of the system) and C [small mu, Greek, macron] [ρ] is an experimentally observable quantity. Thus the ground state energy (at a given fixed external potential) can be obtained simply as E [small mu, Greek, macron] [ρ], from the experimental measurement of C [small mu, Greek, macron] [ρ]. An experimental data-set was interpreted to demonstrate the potential of this quantum mechanical experiment-based variational principle.

A levitation instrument for containerless study of molten materials.

PubMed

Nordine, Paul C; Merkley, Dennis; Sickel, Jeffrey; Finkelman, Steve; Telle, Rainer; Kaiser, Arno; Prieler, Robert

2012-12-01

A new aero-acoustic levitation instrument (AAL) has been installed at the Institute for Mineral Engineering at RWTH University in Aachen, Germany. The AAL employs acoustically stabilized gas jet levitation with laser-beam heating and melting to create a contact-free containerless environment for high temperature materials research. Contamination-free study of liquids is possible at temperatures in excess of 3000 °C and of undercooled liquids at temperatures far below the melting point. Digital control technology advances the art of containerless experiments to obtain long-term levitation stability, allowing new experiments in extreme temperature materials research and to study operation of the levitation instrument itself. Experiments with liquid Al(2)O(3) at temperatures more than 3200 °C, 1200 °C above the melting point, and with liquid Y(3)Al(5)O(12) far below the melting point are reported. Fast pyrometry and video recording instruments yield crystallization rates in undercooled liquid Al(2)O(3) as a function of temperature. Levitation of dense liquid HfO(2) at temperatures above 2900 °C is demonstrated. Capabilities are described for resonant frequency matching in the three-axis acoustic positioning system, acoustic control of sample spin, and position control of standing wave nodes to stabilize levitation under changing experimental conditions. Further development and application of the levitation technology is discussed based on the results of experiments and modeling of instrument operations.

A levitation instrument for containerless study of molten materials

NASA Astrophysics Data System (ADS)

Nordine, Paul C.; Merkley, Dennis; Sickel, Jeffrey; Finkelman, Steve; Telle, Rainer; Kaiser, Arno; Prieler, Robert

2012-12-01

A new aero-acoustic levitation instrument (AAL) has been installed at the Institute for Mineral Engineering at RWTH University in Aachen, Germany. The AAL employs acoustically stabilized gas jet levitation with laser-beam heating and melting to create a contact-free containerless environment for high temperature materials research. Contamination-free study of liquids is possible at temperatures in excess of 3000 °C and of undercooled liquids at temperatures far below the melting point. Digital control technology advances the art of containerless experiments to obtain long-term levitation stability, allowing new experiments in extreme temperature materials research and to study operation of the levitation instrument itself. Experiments with liquid Al2O3 at temperatures more than 3200 °C, 1200 °C above the melting point, and with liquid Y3Al5O12 far below the melting point are reported. Fast pyrometry and video recording instruments yield crystallization rates in undercooled liquid Al2O3 as a function of temperature. Levitation of dense liquid HfO2 at temperatures above 2900 °C is demonstrated. Capabilities are described for resonant frequency matching in the three-axis acoustic positioning system, acoustic control of sample spin, and position control of standing wave nodes to stabilize levitation under changing experimental conditions. Further development and application of the levitation technology is discussed based on the results of experiments and modeling of instrument operations.

Molecular frame photoelectron angular distributions for core ionization of ethane, carbon tetrafluoride and 1,1-difluoroethylene

DOE PAGES

Menssen, A.; Trevisan, C. S.; Schöffler, M. S.; ...

2016-02-15

Molecular frame photoelectron angular distributions (MFPADs) are measured in this paper in electron–ion momentum imaging experiments and compared with complex Kohn variational calculations for carbon K-shell ionization of carbon tetrafluoride (CF 4), ethane (C 2H 6) and 1,1-difluoroethylene (C 2H 2F 2). While in ethane the polarization averaged MFPADs show a tendency at low energies for the photoelectron to be emitted in the directions of the bonds, the opposite effect is seen in CF 4. A combination of these behaviors is seen in difluoroethylene where ionization from the two carbons can be distinguished experimentally because of their different K-shell ionizationmore » potentials. Excellent agreement is found between experiment and simple static-exchange or coupled two-channel theoretical calculations. Finally, however, simple electrostatics do not provide an adequate explanation of the suggestively simple angular distributions at low electron ejection energies.« less

Experimental Demonstration of a Quantum Router

DTIC Science & Technology

2015-07-22

shown in Fig. 2a can generate polarization entangled photon pairs if the pump beam is set at H V+ polarization. For our experiment, however, we set the... entanglement fidelity) through exact numerical simulation . The PBS2 and PBS3 in Fig. 2c make another Mach-Zehnder interferometer, which requires similar phase...showing entanglement generated between the initially unentangled control and signal photons, and confirm that the qubit state of the signal photon is

Rate constants for the thermal decomposition of ethanol and its bimolecular reactions with OH and D : reflected shock tube and theoretical studies.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sivaramakrishnan, R.; Su, M.-C.; Michael, J. V.

2010-09-09

The thermal decomposition of ethanol and its reactions with OH and D have been studied with both shock tube experiments and ab initio transition state theory-based master equation calculations. Dissociation rate constants for ethanol have been measured at high T in reflected shock waves using OH optical absorption and high-sensitivity H-atom ARAS detection. The three dissociation processes that are dominant at high T are: C{sub 2}H{sub 5}OH {yields} C{sub 2}H{sub 4} + H{sub 2}O; C{sub 2}H{sub 5}OH {yields} CH{sub 3} + CH{sub 2}OH; C{sub 2}H{sub 5}OH {yields} C{sub 2}H{sub 5} + OH. The rate coefficient for reaction C was measuredmore » directly with high sensitivity at 308 nm using a multipass optical White cell. Meanwhile, H-atom ARAS measurements yield the overall rate coefficient and that for the sum of reactions B and C, since H-atoms are instantaneously formed from the decompositions of CH{sub 2}OH and C{sub 2}H{sub 5} into CH{sub 2}O + H and C{sub 2}H{sub 4} + H, respectively. By difference, rate constants for reaction 1 could be obtained. One potential complication is the scavenging of OH by unreacted ethanol in the OH experiments, and therefore, rate constants for OH + C{sub 2}H{sub 5}OH {yields} products were measured using tert-butyl hydroperoxide (tBH) as the thermal source for OH. The present experiments can be represented by the Arrhenius expression k = (2.5 {+-} 0.43) x 10{sup -11} exp(- 911 {+-} 191 K/T) cm{sup 3} molecule{sup -1} s{sup -1} over the T range 857-1297 K. For completeness, we have also measured the rate coefficient for the reaction of D atoms with ethanol D + C{sub 2}H{sub 5}OH {yields} products whose H analogue is another key reaction in the combustion of ethanol. Over the T range 1054-1359 K, the rate constants from the present experiments can be represented by the Arrhenius expression, k = (3.98 {+-} 0.76) x 10{sup -10} exp(- 4494 {+-} 235 K/T) cm{sup 3} molecule{sup -1} s{sup -1}. The high-pressure rate coefficients for reactions B and C were studied with variable reaction coordinate transition state theory employing directly determined CASPT2/cc-pvdz interaction energies. Reactions A, D, and E were studied with conventional transition state theory employing QCISD(T)/CBS energies. For the saddle point in reaction A, additional high-level corrections are evaluated. The predicted reaction exo- and endothermicities are in good agreement with the current Active Thermochemical Tables values. The transition state theory predictions for the microcanonical rate coefficients in ethanol decomposition are incorporated in master equation calculations to yield predictions for the temperature and pressure dependences of reactions A-C. With modest adjustments (<1 kcal/mol) to a few key barrier heights, the present experimental and adjusted theoretical results yield a consistent description of both the decomposition (1-3) and abstraction kinetics (4 and 5). The present results are compared with earlier experimental and theoretical work.« less

Methane-bearing fluids in subduction zones: an experimental study of abiotic methanogenesis during serpentinization at 12 kbar and 300°C

NASA Astrophysics Data System (ADS)

Lazar, C.; Manning, C. E.

2009-12-01

Serpentinization within subduction zones may generate reduced fluids that contain higher concentrations of abiotic methane than near-surface ultramafic environments. We present preliminary experimental data suggesting that the kinetics of abiotic methanogenesis are enhanced at high pressures. Thermodynamic calculations of C-O-H fluid speciations at the low oxygen fugacities attained during early serpentinization suggest complete conversion of oxidized carbon to methane, yet previous field and experimental investigations have reported fluid compositions with CH4/CO2 far below equilibrium (McCollom and Seewald, 2007). Much experimental work, therefore, has focused on CH4 production rates and the kinetic effects of temperature and mineral catalysis (Horita and Berdt, 1999; Foustoukos and Seyfried, 2004). Methane has been shown experimentally to form at very high pressures (Scott et al, 2004), but the quantitative effect of pressure on methanogenesis kinetics is unknown. We present preliminary results of a comparison of methane production rates at 0.35 and 12 kbar, 300°C, using experiments performed in piston cylinder and cold seal hydrothermal apparatus. Carbon was introduced as a roughly 70 mmol solution of isotopically-labeled formic acid, H13COOH, known to decompose to 13CO2 and H2 at run conditions. Roughly 15 mL of this solution, along with 1.9 mg of natural awaruite (Ni3Fe), was loaded into a gold capsule and then sealed via DC spot welding. Awaruite, a known methane catalyst (Horita and Berndt, 1999), was added to increase the overall rates of all experiments in order to boost the concentration for analysis and as an fO2 buffer appropriate for serpentinization. The experiments were held at T and P for approximately 160 hours. After each run, the capsule was placed in a gas vial and punctured with a needle. The contents of the vial were extracted via gas syringe and injected into gas chromatograph mass spectrometer (GC-MS). CH4 concentration in the 12 kbar run was approximately twice that of the low pressure experiment. In addition to this kinetic enhancement, high pressure strongly favors calcite dissolution (Caciagli and Manning, 2003), thus providing fluids rich in CO2, a reactant in the canonical hydrothermal abiotic methanogenesis reaction, CO2 + 4H2 = CH4 + 2H2O. Hydrogen should also be common within subduction zones, given the significant potential for serpentinization of ultramafic rocks in the forearc mantle and the oceanic lithospheric mantle. Metasomatism of the forearc mantle by CO2-H2O fluids, for example, should generate methane-rich fluids. The details of high pressure methane are complicated by graphite saturation, fluid flow, carbonate stability, fluid-rock ratio, and other geochemical parameters, to be addressed in the future. Nevertheless, given the likely widespread distribution of high pressure serpentinization environments throughout the Solar System, high pressure methane may play a role in atmospheric methane on Mars, the Faint Young Sun problem on the early Earth, the potential for life on Europa, and the synthesis of prebiotic chemicals on any geologically active planet.

Study of 2 S - and 1 D -excitations of observed charmed strange baryons

NASA Astrophysics Data System (ADS)

Ye, Dan-Dan; Zhao, Ze; Zhang, Ailin

2017-12-01

Strong decays of Ξc baryons with radial or orbital λ - and ρ -mode excitations with positive parity have been studied in a 3P0 model. As candidates of these kinds of excited charmed strange baryons, possible configurations and JP quantum numbers of Ξc(2930 ), Ξc(2980 ), Ξc(3055 ), Ξc(3080 ), and Ξc(3123 ) have been assigned based on experimental data. There are 40 kinds of configurations to describe the first radial or orbital excited Ξc in λ - and ρ -mode excitations with positive parity. In these assignments, Ξc(2930 ) may be a 2 S -wave excited Ξ˜c 1(1/2+) or Ξ˜c 1(3/2+), or a D -wave excited Ξ^c 1 '(1/2+) , Ξˇc 1 0(1/2+) , Ξˇc 1 2(1/2+) , Ξ^c 1 '(3/2+) , Ξˇc1 0(3/2+), or Ξˇc1 2(3/2+). Ξc(2980 )+ may be a 2 S -wave excited Ξ˜c 1(1/2+)or Ξ˜c0 '(1/2+) with JP=1/2+, or a D -wave excited Ξˇc0 '0(1/2+) or Ξˇc 1 0(1/2+) with JP=1/2+. Ξc(3055 )+may be a 2 S -wave excited Ξ´c 1 '(3/2+) or Ξ´c 0(1/2+). It may be a D -wave excited Ξc1 '(3/2+), Ξc2 '(5/2+), Ξc 2(3/2+) , or Ξc 2(5/2+) . Ξc(3080 )+is very possibly a 2 S -wave excited Ξ´c 0(1/2 +) and seems not to be a D -wave excitation of Ξc. Because of the poor experimental information for Ξc(3123 ), it is impossible to identify this state at present. It is found that the channel Λ D vanishes in the strong decay of P -wave, D -wave, and 2 S -wave excited Ξc without ρ -mode excitation between the two light quarks (nρ=Lρ=0 ). In different configurations, some branching fraction ratios related to the internal structure of the 2 S -wave and D -wave of Ξc are different. These ratios have been computed and can be employed to distinguish different configurations in forthcoming experiments.

DFT calculations for anharmonic force field and spectroscopic constants of YC2 and its 13C isotopologues

NASA Astrophysics Data System (ADS)

Zhao, Yanliang; Wang, Meishan; Yang, Chuanlu; Ma, Xiaoguang; Li, Jing

2018-02-01

The construction of the complete third and the semi-diagonal quartic force fields including the anharmonicity of the ground state (X˜2A1) for yttrium dicarbide (YC2) is carried out employing the vibrational second-order perturbation theory (VPT2) in combination with the density functional theory (DFT). The equilibrium geometries optimization, anharmonic force field and vibrational spectroscopic constants of YC2 are calculated by B3LYP, B3PW91 and B3P86 methods. Aug-cc-pVnZ (n = D, T, Q) and cc-pVnZ-PP (n = D, T, Q) basis sets are chosen for C and Y atoms, respectively. The calculated geometry parameters of YC2 agree well with the corresponding experimental and previous theoretical results. The bonding characters of Ysbnd C2 or Csbnd C are discussed. Based on the optimized equilibrium geometries, the spectroscopic constants and anharmonic force field of YC2 are calculated. Comparing with the spectroscopic constants of YC2 derived from the experiment, the calculated results show that the B3PW91 and B3P86 methods are superior to B3LYP for YC2. The Coriolis coupling constants, cubic and quartic force constants of YC2 are reasonably predicted. Besides, the spectroscopic constants and anharmonic force field of Y13C2 (X˜2A1) and Y13CC (X˜2A‧) are calculated for the first time, which are expected to guide the high resolution experimental work for YC2 and its 13C isotopologues.

Experimentally Determined Emplacement Conditions of the Ultra-Depleted Komatiites of Commondale, South Africa: More wet Archean Komatiites

NASA Astrophysics Data System (ADS)

Barr, J. A.; Grove, T. L.; Wilson, A. H.; Singh, R.

2005-12-01

This study examines the emplacement conditions of the 3.33 Ga ultramafic suite from Commondale, South Africa. With a parental liquid Mg# of 0.91, Al2O3 wt% / TiO2 wt% of 80, and SiO2 content of 49.7wt%, the suite of magmas represent some of the most compositionally distinct examples of Archean komatiites yet identified (Wilson, Nature 2003, 423, 858). The well-preserved lavas contain spinifex zones, cumulate zones and well preserved chill margins. Orthopyroxene is present in both spinifex and cumulate zones; another unique characteristic of these komatiites. Phase equilibrium experiments performed under anhydrous conditions at 0.1 MPa (1 bar) indicate an olivine liquidus temperature of 1540°C. A very low-Ca pyroxene (protoenstatite) joins olivine as a crystallizing phase at 1335°C. Despite the late appearance of this initial pyroxene, the Mg# is 0.95. In the Commondale lavas, orthopyroxene is present in the cores of unaltered pyroxene grains. These natural pyroxenes are less primitive, with the average natural pyroxene having an Mg# of 0.88. The minor element compositions of the 1-atm experimental pyroxenes also do not match those from the natural samples, with Al2O3 being 1.00 wt% in the 1-atm pyroxenes compared to 2.85 wt% for the natural samples. Preliminary experiments under water saturated conditions at 200 MPa (2 kbar) indicate that the appearance of pyroxene is suppressed by >200°C, similar to the behavior seen in Barberton komatiite experiments (Parman, EPSL 1997, 150, 323). This serves to stabilize orthopyroxene, decrease the initial Mg#, and increase the amount of Al2O3 present in the equilibrium crystals, causing them to better mimic the composition of natural samples. The initial liquid composition, under water saturated conditions, would have contained >5.0 wt% H2O. Thus, mineral chemistry supports a high H2O content and hydrous melting origin for these Early Archean komatiites.

Computation and Experiment: A Powerful Combination to Understand and Predict Reactivities.

PubMed

Sperger, Theresa; Sanhueza, Italo A; Schoenebeck, Franziska

2016-06-21

Computational chemistry has become an established tool for the study of the origins of chemical phenomena and examination of molecular properties. Because of major advances in theory, hardware and software, calculations of molecular processes can nowadays be done with reasonable accuracy on a time-scale that is competitive or even faster than experiments. This overview will highlight broad applications of computational chemistry in the study of organic and organometallic reactivities, including catalytic (NHC-, Cu-, Pd-, Ni-catalyzed) and noncatalytic examples of relevance to organic synthesis. The selected examples showcase the ability of computational chemistry to rationalize and also predict reactivities of broad significance. A particular emphasis is placed on the synergistic interplay of computations and experiments. It is discussed how this approach allows one to (i) gain greater insight than the isolated techniques, (ii) inspire novel chemistry avenues, and (iii) assist in reaction development. Examples of successful rationalizations of reactivities are discussed, including the elucidation of mechanistic features (radical versus polar) and origins of stereoselectivity in NHC-catalyzed reactions as well as the rationalization of ligand effects on ligation states and selectivity in Pd- and Ni-catalyzed transformations. Beyond explaining, the synergistic interplay of computation and experiments is then discussed, showcasing the identification of the likely catalytically active species as a function of ligand, additive, and solvent in Pd-catalyzed cross-coupling reactions. These may vary between mono- or bisphosphine-bound or even anionic Pd complexes in polar media in the presence of coordinating additives. These fundamental studies also inspired avenues in catalysis via dinuclear Pd(I) cycles. Detailed mechanistic studies supporting the direct reactivity of Pd(I)-Pd(I) with aryl halides as well as applications of air-stable dinuclear Pd(I) catalysts are discussed. Additional combined experimental and computational studies are described for alternative metals, these include the discussion of the factors that control C-H versus C-C activation in the aerobic Cu-catalyzed oxidation of ketones, and ligand and additive effects on the nature and favored oxidation state of the active catalyst in Ni-catalyzed trifluoromethylthiolations of aryl chlorides. Examples of successful computational reactivity predictions along with experimental verifications are then presented. This includes the design of a fluorinated ligand [(CF3)2P(CH2)2P(CF3)2] for the challenging reductive elimination of ArCF3 from Pd(II) as well as the guidance of substrate scope (functional group tolerance and suitable leaving group) in the Ni-catalyzed trifluoromethylthiolation of C(sp(2))-O bonds. In summary, this account aims to convey the benefits of integrating computational studies in experimental research to increase understanding of observed phenomena and guide future experiments.

TitaniQ recrystallized: experimental confirmation of the original Ti-in-quartz calibrations

NASA Astrophysics Data System (ADS)

Thomas, Jay B.; Watson, E. Bruce; Spear, Frank S.; Wark, D. A.

2015-03-01

Several studies have reported the P- T dependencies of Ti-in-quartz solubility, and there is close agreement among three of the four experimental calibrations. New experiments were conducted in the present study to identify potential experimental disequilibrium, and to determine which Ti-in-quartz solubility calibration is most accurate. Crystals of quartz, rutile and zircon were grown from SiO2-, TiO2-, and ZrSiO4-saturated aqueous fluids in an initial synthesis experiment at 925 °C and 10 kbar in a piston-cylinder apparatus. A range of quartz crystal sizes was produced in this experiment; both large and small examples were analyzed by electron microprobe to determine whether Ti concentrations are correlated with crystal size. Cathodoluminescence images and EPMA measurements show that intercrystalline and intracrystalline variations in Ti concentrations are remarkably small regardless of crystal size. The average Ti-in-quartz concentration from the synthesis experiment is 392 ± 1 ppmw Ti, which is within 95 % confidence interval of data from the 10 kbar isobar of Wark and Watson (Contrib Mineral Petrol 152:743-754, 2006) and Thomas et al. (Contrib Mineral Petrol 160:743-759, 2010). As a cross-check on the Ti-in-quartz calibration, we also measured the concentration of Zr in rutile from the synthesis experiment. The average Zr-in-rutile concentration is 4337 ± 32 ppmw Zr, which is also within the 95 % confidence interval of the Zr-in-rutile solubility calibration of Ferry and Watson (Contrib Mineral Petrol 154:429-437, 2007). The P- T dependencies of Ti solubility in quartz and Zr solubility in rutile were applied as a thermobarometer to the experimental sample. The average Ti-in-quartz isopleth calculated from the calibration of Thomas et al. (Contrib Mineral Petrol 160:743-759, 2010) and the average Zr-in-rutile isopleth calculated from the calibration of Tomkins et al. (J Metamorph Geol 25:703-713, 2007) cross at 9.5 kbar and 920 °C, which is in excellent agreement with the P- T conditions of the synthesis experiment. Separates of the high-Ti quartz from the initial synthesis experiment described above were used as starting material in subsequent experiments at 20 kbar, at which pressure the solubility of Ti in quartz is expected to be significantly lower in the recrystallized quartz. These recrystallization experiments were conducted under wet and dry conditions at 925 °C, and under wet conditions at 850 °C. Both wet and dry recrystallization experiments produced polycrystalline quartzites. Rutile occurs as inclusions in quartz, and as individual crystals dispersed along quartz grain boundaries. Quartz that grew during the recrystallization experiments has dark cathodoluminescence indicating substantially lower Ti concentrations. The average Ti concentrations in quartz from the recrystallization experiments are within the 95 % confidence interval of a linear fit to the 20 kbar data of Thomas et al. (Contrib Mineral Petrol 160:743-759, 2010). Collectively, the results from the synthesis and recrystallization experiments confirm that the Ti-in-quartz concentrations used to calibrate the P- T dependencies of Ti-in-quartz solubility in Thomas et al.'s (Contrib Mineral Petrol 160:743-759, 2010) calibration represent the equilibrium concentrations of Ti in quartz.

Sulfur solubility in hydrous Etna Basalt at temperatures from 1150 to 1250 °C and 200 MPa

NASA Astrophysics Data System (ADS)

Beermann, O.; Nowak, N.; Botcharnikov, R. E.; Holtz, F.

2009-04-01

Degassing of magmatic volatiles is strongly dependent on fluid-melt interaction at the oneset of degassing under given pressure and temperature. Most magmatic fluids are composed of hydrous multicomponental mixtures, e.g. H-O-C-S-Cl-F-Br bearing fluids. In particular the partitioning behaviour of S and Cl between basaltic melt and hydrous fluid is of interest, because the S/Cl ratio of emitted volcanic gasses correlate to the eruption style (e.g. [1], [2], [3]). In particular, this was also observed for the 2002 eruption of Mt. Etna (Sicily) [4], which is one of the worlds most active and best investigated volcanoes. Since now, there even exist no reliable data on the solubility of sulfur in hydrous silicic melts at geologic relevant temperatures for basaltic magmas (above 1050 °C), because sulfur is known to be a very aggressive component limiting the application of experimental approaches that use noble metal capsules, especially Pt and AuPd. Thus, the experiments in this study, concerning the solubility of S in natural hydrous Etna basalt at 200 MPa and temperatures from 1150 to 1250 °C at fO2 ~ NNO + 2.5 and 1200 °C at fO2 ~ NNO, were performed in olivine-AuPd double capsules, using single crystal olivine capsules (San Carlos olivine) as sample containers, which were inserted into outer Au80Pd20 capsules. The starting material was a fused and water presaturated trachybasalt from Mt. Etna (2001 eruption), containing 5 wt.% H2O. For sulfur source pyrrhotine (FeS) was used, obtaining initial S concentrations between 1-1.5 wt.% (with respect to the amount of starting material). For some experiments an olivine disc was placed between FeS and starting glass powder to avoid FeS dispersion in the melt. All experiments were conducted in internally heated argon pressure vessels (IHPV) equipped with rapid quench device. For the reduced runs an Ar-H2 mixture was load into the vessel and the H2 pressure was monitored, using the shaw membrane technique. The experimental run time was 6-24 h at 1200, 24 h at 1250°C and 67 h at 1150 °C. All glasses obtained from these experiments contained FeS and were enriched in MgO due to reequilibration with MgO-rich olivine. Independent on the run duration, each of the experimental glasses had large variations of S concentration, ranging from 500 to 1600 ppm S at ~ NNO and 250 to 3000 ppm S at ~ NNO + 2.5 (calculated by the S peak shift of WDS spectra, recorded by electron microprobe analysis), where the highest S concentrations were measured near to the FeS source material. However, no direct dependence of temperature on the S solubility and, furthermore, no correlation on S concentration, dependent on the distance to the FeS source was observed, indicating that mobilisation of S seems to be dominated by other mechanisms (e.g. convection) than diffusion. Water concentrations of H2O-presaturated basaltic glasses decreased from 5 wt.% to ~ 2 wt.% (IR-analysis). No sulfur could be detected outside the olivine containers, improoving this experimental setup to be a sufficient barrier for sulfur or S-rich compounds. To get more reliable data, a longer run duration (> 3 d) and a more detailed determination of S species, prevailing in the glasses, is required. [1] Thordarson et al. (1996) Bull. Volcanol. 58, 205-225. [2] Harms & Schmincke (2000) Contrib. Mineral. Petrol. 138, 84-98. [3] Webster et al. (2001) Mineral. Petrol. 73, 177-200. [4] Aiuppa et al. (2004) EPSL 222, 469-483.

Fermionology in the Kondo-Heisenberg model: the case of CeCoIn5

NASA Astrophysics Data System (ADS)

Zhong, Yin; Zhang, Lan; Lu, Han-Tao; Luo, Hong-Gang

2015-09-01

The Fermi surface of heavy electron systems plays a fundamental role in understanding their variety of puzzling phenomena, for example, quantum criticality, strange metal behavior, unconventional superconductivity and even enigmatic phases with yet unknown order parameters. The spectroscopy measurement of the typical heavy fermion superconductor CeCoIn5 has demonstrated multi-Fermi surface structure, which has not been studied in detail theoretically in a model system like the Kondo-Heisenberg model. In this work, we take a step toward such a theoretical model by revisiting the Kondo-Heisenberg model. It is found that the usual self-consistent calculation cannot reproduce the fermionology of the experimental observation of the system due to the sign binding between the hopping of the conduction electrons and the mean-field valence-bond order. To overcome such inconsistency, the mean-field valence-bond order is considered as a free/fitting parameter to correlate them with real-life experiments as performed in recent experiments [M.P. Allan, F. Massee, D.K. Morr, J. Van Dyke, A.W. Rost, A.P. Mackenzie, C. Petrovic, J.C. Davis, Nat. Phys. 9, 468 (2013); J. Van Dyke, F. Massee, M.P. Allan, J.C. Davis, C. Petrovic, D.K. Morr, Proc. Natl. Acad. Sci. 111, 11663 (2014)], which also explicitly reflects the intrinsic dispersion of local electrons observed in experimental measurements. Given the fermionology, the calculated effective mass enhancement, entropy, superfluid density and Knight shift are all in qualitative agreement with the experimental results of CeCoIn5, which confirms our assumption. Our result supports a d_{x^2 - y^2 }-wave pairing structure in the heavy fermion material CeCoIn5.

Experimentally Determined Binding Energies of Astrophysically Relevant Hydrocarbons in Pure and H2O-Layered Ices

NASA Astrophysics Data System (ADS)

Behmard, Aida; Graninger, Dawn; Fayolle, Edith; Oberg, Karin I.

2017-01-01

Small hydrocarbons represent an important organic reservoir in a variety of interstellar environments. Constraints on desorption temperatures and binding energies of hydrocarbons are thus necessary for accurate predictions of where and in which phase these molecules exist. Through a series of temperature programmed desorption experiments, we determined binding energies of 1, 2, and 3-carbon interstellar hydrocarbons (CH4, C2H2, C2H4, C2H6, C3H4, C3H6, and C3H8) in pure ices and in relation to water ice, the dominant ice constituent during star and planet formation. These empirically determined values can be used to inform observations and models of the molecular spatial distribution in protoplanetary disks, thus providing insight into planetesimal composition. In addition, knowledge of hydrocarbon binding energies will refine simulations of grain surface chemistry, allowing for better predictions of the chemical conditions that lead to the production of complex organic molecules vital for life.

Stability of buckminsterfullerene and related carbon clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newton, M.D.; Stanton, R.E.

1986-04-30

Under appropriate collisional conditions the mass spectrum of carbon fragments produced by laser vaporization of graphite is dominated by C/sub 60/ and (to a lesser extent) C/sub 70/ clusters. The discoverers of this phenomenon have noted that the carbon valence requirements can be satisfied in closed, hollow structures. For C/sub 60/ they suggest an icosahedral soccer ball network, which they call buckminsterfullerene and we abbreviate as BF. Experimental support has come from studies with lanthanum-impregnated graphite. The resulting mass spectra show intense C/sub 60/La peaks, but no C/sub n/La/sub 2/ or C/sub n/La/sub 3/ peaks. Subsequent experiments have demonstrated themore » inertness of C/sub 60/ and, indeed, other large C/sub 2n/ clusters under NO attack. We report here the results of quantum calculations which were prompted by the experiments cited above and other earlier work. Our purpose has been to test the intrinsic stability of BF and related polyhedral species and to compare their stability with that of planar graphite fragments. The latter have the advantage of being strain free, but suffer from dangling valences on their perimeters. We also make comparisons with linear carbon chains.« less

Isotopic Analysis of Sporocarp Protein and Structural Material Improves Resolution of Fungal Carbon Sources

PubMed Central

Chen, Janet; Hofmockel, Kirsten S.; Hobbie, Erik A.

2016-01-01

Fungal acquisition of resources is difficult to assess in the field. To determine whether fungi received carbon from recent plant photosynthate, litter or soil-derived organic (C:N bonded) nitrogen, we examined differences in δ13C among bulk tissue, structural carbon, and protein extracts of sporocarps of three fungal types: saprotrophic fungi, fungi with hydrophobic ectomycorrhizae, or fungi with hydrophilic ectomycorrhizae. Sporocarps were collected from experimental plots of the Duke Free-air CO2 enrichment experiment during and after CO2 enrichment. The differential 13C labeling of ecosystem pools in CO2 enrichment experiments was tracked into fungi and provided novel insights into organic nitrogen use. Specifically, sporocarp δ13C as well as δ15N of protein and structural material indicated that fungi with hydrophobic ectomycorrhizae used soil-derived organic nitrogen sources for protein carbon, fungi with hydrophilic ectomycorrhizae used recent plant photosynthates for protein carbon and both fungal groups used photosynthates for structural carbon. Saprotrophic fungi depended on litter produced during fumigation for both protein and structural material. PMID:28082951

Reaction Rates Of Olivine Carbonation - An Experimental Study Using Synthetic Fluid Inclusions As Micro-Reactors

NASA Astrophysics Data System (ADS)

Sendula, E.; Lamadrid, H. M.; Bodnar, R. J.

2017-12-01

Ultramafic and mafic rocks (e.g. peridotites, serpentinites and basalts) are being considered as possible targets for CO2 sequestration via mineral carbonation. The determination of reaction kinetics and the factors that control mineralization are important in order to understand and predict fluid-rock reactions between the injected CO2 and the host rocks. Here we present results of experiments focused on determining the reaction rates of carbonation of olivine as a function of initial CO2 concentration (20 mol% and 11 mol%) in the aqueous solution and temperature (100°C and 50°C). We used a recently developed experimental method (Lamadrid et al., 2017) that uses synthetic fluid inclusions as micro-reactors. The micro-reactor technique coupled with non-destructive Raman spectroscopy allows us to monitor the reaction progress in situ and in real time, by quantifying the amount of CO2 consumed in the reaction as a function of time. Results show a measurable decrease of CO2 density in the fluid inclusions as a result of the reaction between the CO2-bearing aqueous phase and olivine. Magnesite formation begins within several hours at 100°C and most of the CO2 was consumed within two days. At 50°C, however, magnesite nucleation and precipitation required weeks to months to begin, and the reaction rates were about an order of magnitude slower than in the experiments at 100°C. No significant differences were observed in the reaction rates as a function of initial CO2 concentration. The application of the synthetic fluid inclusion technique as micro-reactors coupled with non-destructive analytical techniques is a promising tool to monitor rates of fluid-rock reactions in situ and in real time, allowing detailed micron-scale investigations. The technique can be applied to a wide variety of chemical systems, host minerals, reaction products, fluid densities, temperatures, and different starting fluid compositions.

SPRUCE Methylotrophic Methanogenesis in Sphagnum-dominated Peatland Soils – CH4 and CO2 Production in Laboratory Incubations

DOE Data Explorer

Zalman, Cassandra A.; Meade, N.; Chanton, J.; Kostka, J. E.; Bridgham, S. D.; Keller, J. K.

2017-12-01

This study investigated the potential for methylotrophic methanogenesis in three Sphagnum-dominated peatland soils in northern Minnesota. Collected soils were amended with 13C-labeled traditional substrates (acetate and sodium bicarbonate/ H2) and methylated substrates (methanol, monomethylamine (“MMA”), dimethylsulfide (“DMS”)) and monitored for δ13C-CH4, δ 13C-CO2, and net CH4 and CO2 production in laboratory incubations. The peatlands included in the study were (1) the S1 Bog, home to the SPRUCE Experiment and located at the Marcell Experimental Forest (MEF, U.S. Forest Service), (2) Bog Lake Fen, also located at the MEF, and (3) Zim Bog. These sites have been described in detail previously (Medvedeff et al., 2015)

Observation of H displacement and H2 elimination channels in the reaction of O(3P) with 1-butene from crossed beams and theoretical studies

NASA Astrophysics Data System (ADS)

Caracciolo, Adriana; Vanuzzo, Gianmarco; Balucani, Nadia; Stranges, Domenico; Cavallotti, Carlo; Casavecchia, Piergiorgio

2017-09-01

We report preliminary combined experimental/theoretical results on O(3P) + 1-butene reaction dynamics with focus on atomic hydrogen displacement and molecular hydrogen elimination channels. Dynamics and relative yield of the ethylvinoxy + H and ethylketene + H2 product channels are characterized in crossed beam experiments. Stationary points and energetics of triplet/singlet C4H8O potential energy surfaces (PESs) are calculated at CCSD(T)/CBS and CASPT2 level. O(3P) attack occurs on both unsaturated C-atoms with preference for the less substituted one leading, among other products, to C2H5CHCHO + H via an exit barrier on the triplet PES, and to C2H5CHCO + H2 via a very high exit barrier on the singlet PES following intersystem crossing.

Kinetics of Fe2+-Mg order-disorder in orthopyroxene: experimental studies and applications to cooling rates of rocks

NASA Astrophysics Data System (ADS)

Stimpfl, M.; Ganguly, J.; Molin, G.

2005-10-01

We determined the forward rate constant (K+) for the Fe2+-Mg order-disorder between the M2 and M1 sites of orthopyroxene (OPx), which is described by the homogeneous reaction Fe2+ (M2) + Mg(M1) ↔ Mg(M2) + Fe2+ (M1), by both ordering and disordering experiments at isothermal condition and also by continuous cooling experiments. The rate constant was determined as a function of temperature in the range of 550-750°C, oxygen fugacity between quartz-fayalite-iron and Ni-NiO buffers, and at compositions of 16 and 50 mol% ferrosilite component. The K+ value derived from disordering experiment was found to be larger than that derived from ordering experiment at 550°C, while at T>580°C, these two values are essentially the same. The fO2 dependence of the rate constant can be described by the relation K+ α (fO2) n with n=5.5-6.5, which is compatible with the theoretically expected relation. The Arrhenius relation at the WI buffer condition is given by ln (C_{text{o}} {text{K}}^+) = - {41511 - 12600{text{X}}_{{text{Fe}}} }/{{T({text{K}})}} + 28.26 + 5.27{text{X}}_{{text{Fe}}}, min^{-1} where C o represents the total number of M2 + M1 sites occupied by Fe2+ and Mg per unit volume of the crystal. The above relation can be used to calculate the cooling rates of natural OPx crystals around the closure temperature ( T c) of Fe-Mg ordering, which are usually below 300°C for slowly cooled rocks. We determined the Fe-Mg ordering states of several OPx crystals (˜ Fs50) from the Central Gneissic Complex (Khtada Lake), British Columbia, which yields T c ˜290°C. Numerical simulation of the change of Fe2+-Mg ordering in OPx as a function of temperature using the above expression of rate constant and a non-linear cooling model yields quenched values of ordering states that are in agreement with the observed values for cooling rates of 11-17°C/Myr below 300°C. The inferred cooling rate is in agreement with the available geochronological constraints.

Synthesis and Evaluation of Radioligands for Imaging Brain Nociceptin/Orphanin FQ Peptide (NOP) Receptors with Positron Emission Tomography

PubMed Central

Pike, Victor W.; Rash, Karen S.; Chen, Zhaogen; Pedregal, Concepción; Statnick, Michael A.; Kimura, Yasuyuki; Hong, Jinsoo; Zoghbi, Sami S.; Fujita, Masahiro; Toledo, Miguel A.; Diaz, Nuria; Gackenheimer, Susan L.; Tauscher, Johannes T.; Barth, Vanessa N.; Innis, Robert B.

2011-01-01

Positron emission tomography (PET) coupled to an effective radioligand could provide an important tool for understanding possible links between neuropsychiatric disorders and brain NOP (nociceptin/orphanin FQ peptide) receptors. We sought to develop such a PET radioligand. High-affinity NOP ligands were synthesized based on a 3-(2'-fluoro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-yl)-2(2-halobenzyl)-N-alkylpropanamide scaffold and from experimental screens in rats, with ex vivo LC-MS/MS measures, three ligands were identified for labeling with carbon-11 and evaluation with PET in monkey. Each ligand was labeled by 11C-methylation of an N-desmethyl precursor and studied in monkey under baseline and NOP receptor-preblock conditions. The three radioligands, [11C](S)-10a–c, gave similar results. Baseline scans showed high entry of radioactivity into brain to give a distribution reflecting that expected for NOP receptors. Pre-block experiments showed high early peak levels of brain radioactivity which rapidly declined to a much lower level than seen in baseline scans, thereby indicating a high level of receptor-specific binding in baseline experiments. Overall, [11C](S)-10c showed the most favorable receptor-specific signal and kinetics and is now selected for evaluation in human subjects. PMID:21438532

Photoionization and Photofragmentation of the Endohedral Xe C60+ Molecular Ion

NASA Astrophysics Data System (ADS)

Aryal, Nagendra Bahadur

An experimental study of photoionization and fragmentation of the Xe C 60+ endohedral molecular ion is presented in the photon energy range of the well-known Xe 4d giant resonance, and evidence of redistribution of the Xe 4d oscillator strength in photon energy due to multipath interference is reported. Experiments were conducted at undulator beamline 10.0.1 of the Advanced Light Source (ALS) using the merged-beams technique. Prior to these measurements, macroscopic samples containing endohedral Xe C60 were prepared using a setup developed at the ALS. Endohedral Xe C60 yields as high as 2.5x10 -4 were synthesized and a pure Xe C60+ ion beam current of up to 5.5 pA was obtained for the merged-beams experiments. Cross sections were measured in the photon energy range 60 - 150 eV in 0.5 eV steps for single, double, and triple photoionization of endohedral Xe C 60+ accompanied by the loss of n pairs of carbon atoms yielding Xe C60-2n2+ (n = 0, 1), Xe C60-2n 3+ (n = 0, 1, 2, 3), and Xe C584+ photoion products. Reference absolute cross-section measurements were made for empty C60+ for the corresponding reaction channels. The spectroscopic measurements with Xe C60+ were placed onto an absolute scale by normalization to the reference cross sections for C60+ in ranges of photon energies where the Xe 4d contributions were negligible. Results for single photoionization and fragmentation of Xe C60+ show no evidence of the presence of the caged Xe atom. The measurements of double and triple photoionization with fragmentation of Xe C60+ exhibit prominent signatures of the Xe 4d resonance and together account for 6.6 +/- 1.5 of the total Xe 4d oscillator strength of 10. Compared to that for a free Xe atom, the Xe oscillator strength in Xe C60+ is redistributed in photon energy due to multipath interference of outgoing Xe 4d photoelectron waves that may be transmitted or reflected by the spherical C60+ molecular cage, yielding so-called confinement resonances. The experimental data are compared with numerous theoretical predictions for this novel single-molecule photoelectron interferometer system. The comparison indicates that the interference structure is sensitive to the geometry of the molecular cage.

An experimental study of ^{{{{Fe}}^{2 + } {-}{{Mg}}}} K_{{D}} between orthopyroxene and rhyolite: a strong dependence on H2O in the melt

NASA Astrophysics Data System (ADS)

Waters, Laura E.; Lange, Rebecca A.

2017-06-01

The effect of temperature, pressure, and dissolved H2O in the melt on the Fe2+-Mg exchange coefficient between orthopyroxene and rhyolite melt was investigated with a series of H2O fluid-saturated phase-equilibrium experiments. Experiments were conducted in a rapid-quench cold-seal pressure vessel over a temperature and pressure range of 785-850 °C and 80-185 MPa, respectively. Oxygen fugacity was buffered with the solid Ni-NiO assemblage in a double-capsule assembly. These experiments, when combined with H2O-undersaturated experiments in the literature, show that ^{{{{Fe}}^{2 + } {-}{{Mg}}}} K_{{D}} between orthopyroxene and rhyolite liquid increases strongly (from 0.23 to 0.54) as a function of dissolved water in the melt (from 2.7 to 5.6 wt%). There is no detectable effect of temperature or pressure over an interval of 65 °C and 100 MPa, respectively, on the Fe2+-Mg exchange coefficient values. The data show that Fe-rich orthopyroxene is favored at high water contents, whereas Mg-rich orthopyroxene crystallizes at low water contents. It is proposed that the effect of dissolved water in the melt on the composition of orthopyroxene is analogous to its effect on the composition of plagioclase. In the latter case, dissolved hydroxyl groups preferentially complex with Na+ relative to Ca2+, which reduces the activity of the albite component, leading to a more anorthite-rich (calcic) plagioclase. Similarly, it is proposed that dissolved hydroxyl groups preferentially complex with Mg2+ relative to Fe2+, thus lowering the activity of the enstatite component, leading to a more Fe-rich orthopyroxene at high water contents in the melt. The experimental results presented in this study show that reversely zoned pyroxene (i.e., Mg-rich rims) in silicic magmas may be a result of H2O degassing and not necessarily the result of mixing with a more mafic magma.

Student experimenter and sponsor display SE83-9 "Chix in Space" incubator

NASA Image and Video Library

1988-08-13

S88-44514 (13 Aug 1988) --- Student experimenter John C. Vellinger, left, explains components of an incubator used in his experiment to be carried onboard the Discovery for NASA's STS-29 mission next year. Mark S. Deusser, representing the sponsoring organization, holds up the incubator for inspection by members of the STS-29 crew who will monitor in-space operation of the experiment, titled "Chicken Embryo Development in Space." Astronaut Robert C. Springer is partially visible in lower right foreground. The student's sponsor is Kentucky Fried Chicken.

Student experimenter and sponsor display SE83-9 'Chix in Space' incubator

NASA Technical Reports Server (NTRS)

1988-01-01

Student experimenter John C. Vellinger (left) explains components of an incubator for his Student Experiment (SE) 83-9 Chicken Embryo Development in Space or 'Chix in Space' to be carried onboard STS-29 Discovery, Orbiter Vehicle (OV) 103. Mark S. Deusser, representing the sponsoring organization, holds up the incubator for inspection by STS-29 crewmembers who will monitor in-space operation of the experiment. Mission Specialist (MS) Robert C. Springer is partially visible in the lower right foreground. The student's sponsor is Kentucky Fried Chicken (KFC).

Polyimide film wear: Effect of temperature and atmosphere

NASA Technical Reports Server (NTRS)

Fusaro, R. L.

1976-01-01

Friction and wear experiments conducted on polyimide films bonded to 440C stainless steel disks indicated that a wear transition (from high wear to low wear) accompanied a friction transition (from high friction to low friction). In dry argon or dry air (less than 20 ppm H2O), the transition was found to occur at 40 plus or minus 10 C; when H20 was present in air (10,000 ppm H2O), the transition was found to be elevated to a temperature between 100 and 200 C. Wear rate calculations made at 25, 100, and 200 C indicated that film wear was relatively constant for particular experimental conditions; however, the rate was strongly dependent on temperature and atmosphere.

Modeling the Effect of Temperature and Potential on the In Vitro Corrosion Performance of Biomedical Hydroxyapatite Coatings

NASA Astrophysics Data System (ADS)

Coşkun, M. İbrahim; Karahan, İsmail H.; Yücel, Yasin; Golden, Teresa D.

2016-10-01

CoCrMo biomedical alloys were coated with a hydroxyapatite layer to improve biocompatibility and in vitro corrosion performance. A fast electrodeposition process was completed in 5 minutes for the hydroxyapatite coating. Effect of the solution temperature and applied potential on the in vitro corrosion performance of the hydroxyapatite coatings was modeled by response surface methodology (RSM) coupled with central composite design (CCD). A 5-level-2-factor experimental plan designed by CCD was used; the experimental plan contained 13 coating experiments with a temperature range from 283 K to 347 K (10 °C to 74 °C) and potential range from -1.2 to -1.9 V. Corrosion potential ( E corr) of the coatings in a simulated body fluid solution was chosen as response for the model. Predicted and experimental values fitted well with an R 2 value of 0.9481. Response surface plots of the impedance and polarization resistance ( R P) were investigated. Optimized parameters for electrodeposition of hydroxyapatite were determined by RSM as solution temperature of 305.48 K (32.33 °C) and potential of -1.55 V. Hydroxyapatite coatings fabricated at optimized parameters showed excellent crystal formation and high in vitro corrosion resistance.

Using the Viking biology experimental results to obtain chemical information about Martian regolith

NASA Technical Reports Server (NTRS)

Plumb, Robert C.

1992-01-01

Although initially formulated as biology experiments, most of the results produced by the Viking Labeled Release (LR), Gas Exchange (GEX), and Pyrolytic Release (PR) experiments have been reproduced by chemical means. The experiments do not need more study as 'biological' phenomena, but they do deserve much more careful consideration from a chemical viewpoint. They are the only 'wet-chemical' experiments that scientists have performed on another planet, but they have not found very general use as sources of scientific information. There is a large set of potentially useful chemical observations, e.g., the three resolvable and precisely measured kinetic components of the release of C-14-labeled gases, the thermal sensitivity and magnitudes of the oxidation reaction(s) of the LR experiments, the kinetics and magnitude of the O2 and CO2 release of the GEX experiments, the thermal sensitivity of the GEX results, the differences between the thermal sensitivity of the GEX and the thermal sensitivity of the LR responses, and the kinetics and magnitudes of the LR successive injection reabsorption effect. It should be possible to test many chemical aspects of hypothetical martian phenomena in experiments using the biology experimental configurations and derive much valuable information by comparisons with the Viking observations.

Effect of Population Heterogenization on the Reproducibility of Mouse Behavior: A Multi-Laboratory Study

PubMed Central

Richter, S. Helene; Garner, Joseph P.; Zipser, Benjamin; Lewejohann, Lars; Sachser, Norbert; Touma, Chadi; Schindler, Britta; Chourbaji, Sabine; Brandwein, Christiane; Gass, Peter; van Stipdonk, Niek; van der Harst, Johanneke; Spruijt, Berry; Võikar, Vootele; Wolfer, David P.; Würbel, Hanno

2011-01-01

In animal experiments, animals, husbandry and test procedures are traditionally standardized to maximize test sensitivity and minimize animal use, assuming that this will also guarantee reproducibility. However, by reducing within-experiment variation, standardization may limit inference to the specific experimental conditions. Indeed, we have recently shown in mice that standardization may generate spurious results in behavioral tests, accounting for poor reproducibility, and that this can be avoided by population heterogenization through systematic variation of experimental conditions. Here, we examined whether a simple form of heterogenization effectively improves reproducibility of test results in a multi-laboratory situation. Each of six laboratories independently ordered 64 female mice of two inbred strains (C57BL/6NCrl, DBA/2NCrl) and examined them for strain differences in five commonly used behavioral tests under two different experimental designs. In the standardized design, experimental conditions were standardized as much as possible in each laboratory, while they were systematically varied with respect to the animals' test age and cage enrichment in the heterogenized design. Although heterogenization tended to improve reproducibility by increasing within-experiment variation relative to between-experiment variation, the effect was too weak to account for the large variation between laboratories. However, our findings confirm the potential of systematic heterogenization for improving reproducibility of animal experiments and highlight the need for effective and practicable heterogenization strategies. PMID:21305027

Temperature and pressure dependence of the absolute rate constant for the reactions of NH2 radicals with acetylene and ethylene

NASA Technical Reports Server (NTRS)

Bosco, S. R.; Nava, D. F.; Brobst, W. D.; Stief, L. J.

1984-01-01

The absolute rate constants for the reaction between the NH2 free radical and acetylene and ethylene is measured experimentally using a flash photolysis technique. The constant is considered to be a function of temperature and pressure. At each temperature level of the experiment, the observed pseudo-first-order rate constants were assumed to be independent of flash intensity. The results of the experiment indicate that the bimolecular rate constant for the NH2 + C2H2 reaction increases with pressure at 373 K and 459 K but not at lower temperatures. Results near the pressure limit conform to an Arrhenius expression of 1.11 (+ or -) 0.36 x 10 to the -13th over the temperature range from 241 to 459 K. For the reaction NH2 + C2H4, a smaller rate of increase in the bimolecular rate constant was observed over the temperature range 250-465 K. The implications of these results for current theoretical models of NH2 + C2H2 (or H4) reactions in the atmospheres of Jupiter and Saturn are discussed.

Solubility of reduced C-O-H volatiles in basalt as a function of fCO: Implications for the early Earth, the moon, and Mars

NASA Astrophysics Data System (ADS)

Armstrong, L. S.; Hirschmann, M. M.

2013-12-01

Magmatic C-O-H volatiles influence the evolution of planetary atmospheres and, when precipitated and stored in solidified mantles, the dynamical evolution of planetary interiors. In the case of the Earth, the fO2 of the mantle near the end of core formation should have been ~IW-2, and subsequently increased to present-day values [1]. In experiments with fO2 ≤ IW, a variety of reduced volatile species have been found dissolved in magmas, including H2, CH4, CO, Fe(CO)5 and possibly Fe(CO)62+. However, there remains significant disagreement regarding the identity and concentrations of these volatiles in natural magmas, as well as their dependencies on intensive variables (T, P, fO2, fCO, fH2)[2-6]. Previous experiments document the importance of CO-related species [2,6], but were conducted over a limited range of fCO and had potentially interfering effects from poorly controlled variations in H2O. We aim to experimentally determine the solubility of C-O-H volatiles in basaltic magmas under reduced, C-saturated conditions while minimizing water content. The relationship between volatile speciation, fO2, and fCO at 1.2 GPa and 1400°C are constrained, laying the groundwork for a more extensive study at a range of conditions relevant to the interiors of the terrestrial planets and the moon. Both MORB and a martian basalt were studied, contained in Pt-C capsules with Fe × Pt × Si metal added to generate reducing conditions and to monitor fO2. A nominal amount of H2O is unavoidable in experimental charges, but was minimized by drying capsules prior to welding. Phase compositions were determined by electron microprobe and volatile concentrations were measured by FTIR spectroscopy. In preliminary experiments with fO2 of IW-0.70 to +1.75 (corresponding to log fCO of 3.3-4.5), H2O and CO2 concentrations as determined by FTIR are 113-13283 and 12-721 ppm, respectively. Most experiments also display a small FTIR peak at 2205 cm-1, whereas the most reduced experiments lack this peak but have peaks at 3370 and/or 1615 cm-1. The 2205 cm-1 peak was previously observed in similar experiments [6], and attributed to a C=O bond, possibly in the Fe-carbonyl Fe(CO)62+ [7]. The normalized intensity of the 2205 cm-1 peak is zero at IW -0.70 and increases with greater fO2 and fCO. This suggests that over a small fO2 and fCO range with the CCO buffer as an upper limit, CO-bearing species account for a portion of the dissolved C in reduced, graphite-saturated magmas. These volatiles could play an important role in martian magmatism, in the early Earth's mantle post-core formation, and in more oxidized regions of the lunar mantle. However, the fO2 during terrestrial core formation would have been too low for CO2 or the CO-bearing species to dissolve in a magma ocean. Ongoing work will extend the study to more reducing conditions and determine total C and H2O concentrations by SIMS. References: [1] Frost et al. (2008) Phil. Trans. R. Soc. A 366, 4315-4337. [2] Wetzel D. et al. (2013) PNAS, doi:10.1073/pnas.1219266110. [3] Dasgupta et al. (2013) GCA 102, 191-212. [4] Hirschmann et al. (2012) EPSL 345, 38-48. [5] Ardia et al. (2013) GCA 114, 52-71. [6] Stanley et al. (in review), GCA. [7] Bley et al. (1997) Inorg. Chem. 36, 158-160.

On the Formation of the C{sub 2}H{sub 6}O Isomers Ethanol (C{sub 2}H{sub 5}OH) and Dimethyl Ether (CH{sub 3}OCH{sub 3}) in Star-forming Regions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergantini, Alexandre; Maksyutenko, Pavlo; Kaiser, Ralf I., E-mail: ralfk@hawaii.edu

The structural isomers ethanol (CH{sub 3}CH{sub 2}OH) and dimethyl ether (CH{sub 3}OCH{sub 3}) were detected in several low-, intermediate-, and high-mass star-forming regions, including Sgr B2, Orion, and W33A, with the relative abundance ratios of ethanol/dimethyl ether varying from about 0.03 to 3.4. Until now, no experimental data regarding the formation mechanisms and branching ratios of these two species in laboratory simulation experiments could be provided. Here, we exploit tunable photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS) to detect and analyze the production of complex organic molecules (COMs) resulting from the exposure of water/methane (H{sub 2}O/CH{sub 4}) ices to energetic electrons.more » The main goal is to understand the formation mechanisms in star-forming regions of two C{sub 2}H{sub 6}O isomers: ethanol (CH{sub 3}CH{sub 2}OH) and dimethyl ether (CH{sub 3}OCH{sub 3}). The results show that the experimental branching ratios favor the synthesis of ethanol versus dimethyl ether (31 ± 11:1). This finding diverges from the abundances observed toward most star-forming regions, suggesting that production routes on interstellar grains to form dimethyl ether might be missing; alternatively, ethanol can be overproduced in the present simulation experiments, such as via radical–radical recombination pathways involving ethyl and hydroxyl radicals. Finally, the PI-ReTOF-MS data suggest the formation of methylacetylene (C{sub 3}H{sub 4}), ketene (CH{sub 2}CO), propene (C{sub 3}H{sub 6}), vinyl alcohol (CH{sub 2}CHOH), acetaldehyde (CH{sub 3}CHO), and methyl hydroperoxide (CH{sub 3}OOH), in addition to ethane (C{sub 2}H{sub 6}), methanol (CH{sub 3}OH), and CO{sub 2} detected from infrared spectroscopy. The yield of all the confirmed species is also determined.« less

Experimental study of directional solidification of aqueous ammonium chloride solution

NASA Technical Reports Server (NTRS)

Chen, C. F.; Chen, Falin

1991-01-01

Directional solidification experiments have been carried out using the analog casting system of NH4Cl-H2O solution by cooling it from below with a constant-temperature surface ranging from -31.5 C to +11.9 C. The NH4Cl concentration was 26 percent in all solutions, with a liquidus temperature of 15 C. It was found that finger convection occurred in the fluid region just above the mushy layer in all experiments. Plume convection with associated chimneys in the mush occurred in experiments with bottom temperatures as high as +11.0 C. However, when the bottom temperature was raised to +11.9 C, no plume convection was observed, although finger convection continued as usual. A method has been devised to determine the porosity of the mush by computed tomography. Using the mean value of the porosity across the mush layer and the permeability calculated by the Kozeny-Carman relationship, the critical solute Rayleigh number across the mush layer for onset of plume convection was estimated to be between 200 and 250.

Crystal-liquid-vapor equilibrium experiments at high temperature (less than or equal to 1800 C) and low, controlled oxygen and hydrogen pressure (10(-1) to 10(-9) PA)

NASA Technical Reports Server (NTRS)

Mysen, B. O.

1987-01-01

Evidence from carbonaceous chrondrites points to refractory oxides in the system CaO-MgO-Al2O3-TiO2-SiO2-Fe-O as being among the earliest phases to condense from the solar nebula. It is necessary to establish the equilibrium relationships between the relevant crystalline and amorphous phases before the chemical constraints can be meaningfully applied to models of solar system history. Preliminary experiments on earth show that such experiments are feasible. Earth-based experiments suffer from several unavoidable problems. These problems can be overcome by experimentation in the Space Station where the experiments can be conducted under near static pressure conditions and where total pressure equals the sum of controlled hydrogen and oxygen pressures and can be controlled for periods exceeding several hours.

Microscopic evidence that the nitromethane aci ion is a rate controlling species in the detonation of liquid nitromethane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Engelke, R.; Earl, W.L.; Rohlfing, C.M.

1986-01-01

We present microscopic evidence that the aci ion (H/sub 2/CNO/sup -//sub 2/) of nitromethane (H/sub 3/CNO/sub 2/) plays an important role in the detonation kinetics of liquid-phase nitromethane. It is known from previous detonation experiments that very minute additions of organic bases (e.g., amines) have a profound effect on the detonation properties of nitromethane; i.e., the explosive is strongly sensitized. Here we show that, under conditions similar to the detonation experiments, the only new chemical species generated in nitromethane by the bases sodium hydroxide (NaOH), diethylenetriamine (NH/sub 2/CH/sub 2/CH/sub 2/NHCH/sub 2/CH/sub 2/NH/sub 2/), and pyridine (C/sub 5/H/sub 5/N) is themore » aci ion, within the sensitivity of the experiments. The primary tool used to demonstrate this is /sup 13/C NMR spectroscopy. Ab initio quantum-mechanical calculations of the chemical shifts are used to support the experimental interpretation. Qualitative arguments concerning the increased reactivity of the aci ion, relative to normal nitromethane, are given. We review earlier work and relate it to the current findings.« less

An experimental study of laminar film condensation with Stefan number greater than unity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mahajan, R.L.; Dickinson, D.A.; Chu, T.Y.

1990-01-01

Experimental laminar condensation heat transfer data is reported for fluids with Stefan number up to 3.5. The fluid is a member of a family of fluorinated fluids developed in the last decade which have been extensively used in the electronics industry for soldering, cooling, and testing applications. Experiments were performed by suddenly immersing cold copper spheres in the saturated vapor of this fluid, and heat transfer rates were calculated using the quasi-steady temperature response of the spheres. In these experiments, the difference between saturation and wall temperature varied from 0.5{degree}C to 190{degree}C. Over this range of temperature difference, the condensatemore » properties vary significantly. For example, viscosity of the condense varies by a factor of over 50. Corrections for the temperature dependent properties of the condensate therefore were incorporated in calculating the Nusselt number based on the average heat transfer coefficient. The results are discussed in light of past experimental data theory for Stefan number less than 1. To the knowledge of the authors, this is the first reported study of condensation heat transfer for Stefan number greater that unity. 24 refs., 7 figs., 2 tabs.« less

Fluid-deposited graphitic inclusions in quartz: Comparison between KTB (German Continental Deep-Drilling) core samples and artificially reequilibrated natural inclusions

USGS Publications Warehouse

Pasteris, J.D.; Chou, I.-Ming

1998-01-01

We used Raman microsampling spectroscopy (RMS) to determine the degree of crystallinity of minute (2-15 ??m) graphite inclusions in quartz in two sets of samples: experimentally reequilibrated fluid inclusions in a natural quartz grain and biotite-bearing paragneisses from the KTB deep drillhole in SE Germany. Our sequential reequilibration experiments at 725??C on initially pure CO2 inclusions in a quartz wafer and the J. Krautheim (1993) experiments at 900-1100??C on organic compounds heated in gold or platinum capsules suggest that, at a given temperature, (1) fluid-deposited graphite will have a lower crystallinity than metamorphosed organic matter and (2) that the crystallinity of fluid-deposited graphite is affected by the composition of the fluid from which it was deposited. We determined that the precipitation of more-crystalline graphite is favored by lower fH2 (higher fO2), and that the crystallinity of graphite is established by the conditions (including gas fugacities) that pertain as the fluid first reaches graphite saturation. Graphite inclusions within quartz grains in the KTB rocks show a wide range in crystallinity index, reflecting three episodes of carbon entrapment under different metamorphic conditions. Isolated graphite inclusions have the spectral properties of totally ordered, completely crystalline graphite. Such crystallinity suggests that the graphite was incorporated from the surrounding metasedimentary rocks, which underwent metamorphism at upper amphibolite-facies conditions. Much of the fluid-deposited graphite in fluid inclusions, however, shows some spectral disorder. The properties of that graphite resemble those of experimental precipitates at temperatures in excess of 700??C and at elevated pressures, suggesting that the inclusions represent precipitates from C-O-H fluids trapped under conditions near those of peak metamorphism at the KTB site. In contrast, graphite that is intimately associated with chlorite and other (presumably low-temperature) silicates in inclusions is highly disordered and spectrally resembles kerogens. This graphite probably was deposited during later greenschist-facies retrograde metamorphism at about 400-500??C. The degree of crystallinity of fluid-deposited graphite is shown to be a much more complex function of temperature than is the crystallinity of metamorphic graphite. To some extent, experiments can provide temperature-calibration of the crystallinity index. However, the difference in time scales between experimental runs and geologic processes makes it difficult to infer specific temperatures for naturally precipitated graphite. Copyright ?? 1998 Elsevier Science Ltd.

Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data.

PubMed

Chass, Gregory A; Mirasol, Rei S; Setiadi, David H; Tang, Ting-Hua; Chin, Wutharath; Mons, Michel; Dimicoli, Iliana; Dognon, Jean-Pierre; Viskolcz, Bela; Lovas, Sandor; Penke, Botond; Csizmadia, Imre G

2005-06-23

Computational and experimental determinations were carried out in parallel on the conformational probability of N-Acetyl-Phenylalanine-NH2 (NAPA). Ab initio computations were completed at the BLYP/6-311G(df,p), B3LYP/6-31G(d), B3LYP/6-31G(d,p), and B3LYP/6-31+G(d) levels of theory, labeled L/61fp, B/6, B/6p, and B/6+, respectively. Three experimentally identified conformers were compared with theoretical data, confirming their identities as the betaLanti, gammaLgauche+, and gammaLgauche- (BACKBONESIDECHAIN) conformers. Evidence comes from matching experimental and theoretical data for all three constituent N-H stretches of NAPA, with a Delta(Experimental-Theoretical) = approximately 1-3 cm(-1), approximately 0-5 cm(-1), and approximately 1-6 cm(-1), at the L/61fp and B/6+ levels, respectively. Corrected-ZPE relative energies were computed to be 0.14, 0.00, 0.26 and 0.00, 0.67, 0.57 (kcal*mol(-1)) for the betaLanti, gammaLgauche+, and gamma(Lgauche- conformers, respectively, at the L/61fp and B/6+ levels, respectively. The MP2/6-31+G(d) level of theory was subsequently found to give similar relative energies. Characterization of the intramolecular interactions responsible for red and blue shifting of the N-H stretches showed the existence of the following intramolecular interactions: C=O[i]- - -HN[i], (Ar[i])-Cgamma- - -HN[i+1], (Ar[i])-Cdelta-H- - -O=C[i-1] for betaLanti; C=O[i-1]- - -HN[i+1], (Ar[i])-Cgamma- - -HN[i+1], (Ar[i])-C-H- - -O=C[i] for gammaLgauche+; and C=O[i-1]- - -HN[i+1] for gammaLgauche-. Each of these interactions were further investigated and subsequently characterized by orbital population and Atoms-In-Molecules (AIM) analyses, with the identity of overlap and bond critical points (BCP) serving as 'scoring criteria', respectively. Experimental and theoretical carbonyl stretches were also compared and showed good agreement, adding further strength to the synergy between experiment and theory.

Development of SPR temperature sensor using Au/TiO2 on hetero-core optical fiber

NASA Astrophysics Data System (ADS)

Kitagawa, Sho; Yamazaki, Hiroshi; Hosoki, Ai; Nishiyama, Michiko; Watanabe, Kazuhiro

2016-03-01

This paper describes a novel temperature sensor based on a hetero-core structured fiber optic surface plasmon resonance (SPR) sensor with multi-layer thin film of gold (Au) and titanium dioxide (TiO2). Temperature condition is an essential parameter in chemical plants for avoiding fire accident and controlling qualities of chemical substances. Several fiber optic temperature sensors have been developed for some advantages such as immunity to electromagnetic interference, corrosion resistance and no electrical leakage. The proposed hetero-core fiber optic SPR sensor detects temperature condition by measuring slight refractive index changes of TiO2 which has a large thermo-optic coefficient. We experimentally confirmed that the SPR resonant wavelength in the hetero-core SPR sensor with coating an Au film which slightly depended on temperature changes in the range from 20 °C to 80 °C. In addition, it was experimentally shown that the proposed SPR temperature sensor with multi-layer film of Au and TiO2 had the SPR resonant wavelength shift of 1.6 nm due to temperature change from -10 °C to 50 °C. As a result, a series of experiments successfully demonstrated that the proposed sensor was able to detect temperature directly depending on the thermo-optic effect of TiO2.

A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo 2C Surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wan, Weiming; Jiang, Zhifeng; Chen, Jingguang G.

It is desirable to convert biomass-derived furfural to 2-methylfuran through the hydrodeoxygenation (HDO) reaction using an inexpensive catalyst with high stability. In this work, Mo 2C was used as an alternative substrate to replace precious Pt to support monolayer Fe for the HDO reaction of furfural. The HDO activity and stability of Fe/Pt(111) and Fe/Mo 2C/Mo(110) surfaces were compared. Density functional theory calculations and vibrational spectroscopy results indicated that both surfaces bonded to furfural with similar adsorption geometries and should be active toward the furfural HDO reaction. Temperature programmed desorption experiments confirmed a similar HDO activity between the two surfaces,more » with Fe/Mo 2C/Mo(110) being more thermally stable than Fe/Pt(111). As a result, the combined theoretical and experimental results demonstrated that Fe/Mo 2C should be a promising non-precious metal catalyst for the HDO reaction of furfural to produce 2-methylfuran.« less

A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo 2C Surfaces

DOE PAGES

Wan, Weiming; Jiang, Zhifeng; Chen, Jingguang G.

2018-01-19

It is desirable to convert biomass-derived furfural to 2-methylfuran through the hydrodeoxygenation (HDO) reaction using an inexpensive catalyst with high stability. In this work, Mo 2C was used as an alternative substrate to replace precious Pt to support monolayer Fe for the HDO reaction of furfural. The HDO activity and stability of Fe/Pt(111) and Fe/Mo 2C/Mo(110) surfaces were compared. Density functional theory calculations and vibrational spectroscopy results indicated that both surfaces bonded to furfural with similar adsorption geometries and should be active toward the furfural HDO reaction. Temperature programmed desorption experiments confirmed a similar HDO activity between the two surfaces,more » with Fe/Mo 2C/Mo(110) being more thermally stable than Fe/Pt(111). As a result, the combined theoretical and experimental results demonstrated that Fe/Mo 2C should be a promising non-precious metal catalyst for the HDO reaction of furfural to produce 2-methylfuran.« less

Towards homonuclear J solid-state NMR correlation experiments for half-integer quadrupolar nuclei: experimental and simulated 11B MAS spin-echo dephasing and calculated 2J(BB) coupling constants for lithium diborate.

PubMed

Barrow, Nathan S; Yates, Jonathan R; Feller, Steven A; Holland, Diane; Ashbrook, Sharon E; Hodgkinson, Paul; Brown, Steven P

2011-04-07

Magic-angle spinning (MAS) NMR spin-echo dephasing is systematically investigated for the spin I = 3/2 (11)B nucleus in lithium diborate, Li(2)O·2B(2)O(3). A clear dependence on the quadrupolar frequency (ω(Q)(PAS)/2π = 3C(Q)/[4I(2I- 1)]) is observed: the B3 (larger C(Q)) site dephases more slowly than the B4 site at all investigated MAS frequencies (5 to 20 kHz) at 14.1 T. Increasing the MAS frequency leads to markedly slower dephasing for the B3 site, while there is a much less evident effect for the B4 site. Considering samples at 5, 25, 80 (natural abundance) and 100% (11)B isotopic abundance, dephasing becomes faster for both sites as the (11)B isotopic abundance increases. The experimental behaviour is rationalised using density matrix simulations for two and three dipolar-coupled (11)B nuclei. The experimentally observed slower dephasing for the larger C(Q) (B3) site is reproduced in all simulations and is explained by the reintroduction of the dipolar coupling by the so-called "spontaneous quadrupolar-driven recoupling mechanism" having a different dependence on the MAS frequency for different quadrupolar frequencies. Specifically, isolated spin-pair simulations show that the spontaneous quadrupolar-driven recoupling mechanism is most efficient when the quadrupolar frequency is equal to twice the MAS frequency. While for isolated spin-pair simulations, increasing the MAS frequency leads to faster dephasing, agreement with experiment is observed for three-spin simulations which additionally include the homogeneous nature of the homonuclear dipolar coupling network. First-principles calculations, using the GIPAW approach, of the (2)J(11B-11B) couplings in lithium diborate, metaborate and triborate are presented: a clear trend is revealed whereby the (2)J(11B-11B) couplings increase with increasing B-O-B bond angle and B-B distance. However, the calculated (2)J(11B-11B) couplings are small (0.95, 1.20 and 2.65 Hz in lithium diborate), thus explaining why no zero crossing due to J modulation is observed experimentally, even for the sample at 25% (11)B where significant spin-echo intensity remains out to durations of ∼200 ms.

Carbon sequestration via reaction with basaltic rocks: geochemical modeling and experimental results

USGS Publications Warehouse

Rosenbauer, Robert J.; Thomas, Burt; Bischoff, James L.; Palandri, James

2012-01-01

Basaltic rocks are potential repositories for sequestering carbon dioxide (CO2) because of their capacity for trapping CO2 in carbonate minerals. We carried out a series of thermodynamic equilibrium models and high pressure experiments, reacting basalt with CO2-charged fluids over a range of conditions from 50 to 200 °C at 300 bar. Results indicate basalt has a high reactivity to CO2 acidified brine. Carbon dioxide is taken up from solution at all temperatures from 50 to 200 °C, 300 bar, but the maximum extent and rate of reaction occurs at 100 °C, 300 bar. Reaction path simulations utilizing the geochemical modeling program CHILLER predicted an equilibrium carbonate alteration assemblage of calcite, magnesite, and siderite, but the only secondary carbonate identified in the experiments was a ferroan magnesite. The amount of uptake at 100 °C, 300 bar ranged from 8% by weight for a typical tholeite to 26% for a picrite. The actual amount of CO2 uptake and extent of rock alteration coincides directly with the magnesium content of the rock suggesting that overall reaction extent is controlled by bulk basalt Mg content. In terms of sequestering CO2, an average basaltic MgO content of 8% is equivalent to 2.6 × 108 metric ton CO2/km3 basalt.

Study of winglets applied to biplanes

NASA Technical Reports Server (NTRS)

Gall, P. D.; Smith, H. C.

1985-01-01

This paper examines, both theoretically and experimentally, the possibility of improving the aerodynamic characteristics of a biplane configuration by adding winglets. Theoretical calculations show good agreement with experiment in predicting inviscid drag due to lift. Theoretical and experimental results indicate that the addition of winglets to an optimized biplane configuration can increase the ideal efficiency factor by up to 13 percent, as well as increasing the lift-curve slope and maximum lift coefficient. A theoretical analysis comparing the biplane with an optimized winglet to an equivalent monoplane indicates that the biplane has the potential for a 6.4-percent increase in L/D(max), and 13-percent increase in C(L) to the 3/2-power/C(D), the classical endurance parameter.

Spin-lattice relaxation of 13C in solid amino acids using the CP-MAS technique

NASA Astrophysics Data System (ADS)

Naito, A.; Ganapathy, S.; Akasaka, K.; McDowell, C. A.

It is shown by a simple application of relaxation theory that the 13C magnetization decays nonexponentially, in principle, in the CP-MAS experiment because of the distribution of the spin-lattice relaxation times; however, the deviation from the exponential decay is quite small. The transient Overhauser effect also contributes appreciably to the nonexponential decay of the 13C magnetization when the protons are not saturated during the 13C T1 measurements and the correlation time of the group rotational motion satisfies the condition, ω2τc2 ≦ 1. It is shown by both experiment and theory that the transient Overhauser effect in the solid state is much smaller than that expected for the liquid state. The 13C spin-lattice relaxation times of L-alanine, deutero- L-alanine, glycine, and L-serine were determined for the individual carbon atoms. The experimentally obtained 13C T1 values agree well with calculated ones, showing that the CH 3 group rotation provides the main source of the relaxation in alanine, while the NH 3+ group motion plays an important role for the relaxation in glycine and serene.

Onset of carbon-carbon bonding in the Nb(5)C(y) (y = 0-6) clusters: a threshold photo-ionisation and density functional theory study.

PubMed

Dryza, Viktoras; Gascooke, Jason R; Buntine, Mark A; Metha, Gregory F

2009-02-21

We have used photo-ionisation efficiency spectroscopy to determine the ionisation potentials (IPs) of the niobium-carbide clusters, Nb(5)C(y) (y = 0-6). Of these clusters Nb(5)C(2) and Nb(5)C(3) exhibit the lowest IPs. Complementary density functional theory calculations have been performed to locate the lowest energy isomers for each cluster. By comparing the experimental IPs with those calculated for candidate isomers, the structures of the Nb(5)C(y) clusters observed in the experiment are inferred. For all these structures, the underlying Nb(5) cluster has either a "prolate" or "oblate" trigonal bipyramid geometry. Both Nb(5)C(5) and Nb(5)C(6) are shown to contain carbon-carbon bonding in the form of one and two molecular C(2) units, respectively.

Experimental study of lunar and SNC (Mars) magmas

NASA Technical Reports Server (NTRS)

Rutherford, Malcolm J.

1994-01-01

The overall objectives of this research were to evaluate the role of C-O-S-Cl degassing processes in explaining vesiculation, oxidation state and fire-fountaining of lunar magmas by analysis of individual lunar glass spherules, and by experimental determination of equilibrium abundances and diffusion rates of C, S and Cl melt species in lunar glass compositions; and to determine possible primitive SNC magma compositions and the mineralogy of the mantle from which they were derived, and to evaluate P, T, XH2O etc. conditions at which they crystallize to form the SNC meteorites. After funding for one year, a project on the A15 volcanic green glass has been completed to the point of writing a first manuscript. Carbon-oxygen species C-O and CO2 are below detection limits (20 ppm) in these glasses, but there is up to 500 ppm S with concentrations both increasing and decreasing toward the spherule margins. Calculations and modeling indicate that C species could have been present in the volcanic gases, however. In a second project, experiments with low PH2O have resulted in refined estimates of the early intercumulus melt composition in the Chassigny meteorite which is generally accepted as a sample from Mars.

One-Dimensional Model for Mud Flows.

DTIC Science & Technology

1985-10-01

law relation between the Chezy coefficient and the flow Reynolds number. Jeyapalan et al. [2], in their analysis of mine tailing dam failures...8217.. .: -:.. ; .r;./. : ... . :\\ :. . ... . RESULTS The model is compared with several dambreak experiments performed by Jeyapalan et al. [3]. In these...0.34 seconds per computational node. 5i Test 6 Test 2 Test 7 44 E 3 A2 Experimental Results0 Jeyapalan at al. (3) - C6- Numerical Results 4 8 12 i6 Time

Experimental Durability Testing of 4H SiC JFET Integrated Circuit Technology at 727 C

NASA Technical Reports Server (NTRS)

Spry, David; Neudeck, Phil; Chen, Liangyu; Chang, Carl; Lukco, Dorothy; Beheim, Glenn M

2016-01-01

We have reported SiC integrated circuits (IC's) with two levels of metal interconnect that have demonstrated prolonged operation for thousands of hours at their intended peak ambient operational temperature of 500 C [1, 2]. However, it is recognized that testing of semiconductor microelectronics at temperatures above their designed operating envelope is vital to qualification. Towards this end, we previously reported operation of a 4H-SiC JFET IC ring oscillator on an initial fast thermal ramp test through 727 C [3]. However, this thermal ramp was not ended until a peak temperature of 880 C (well beyond failure) was attained. Further experiments are necessary to better understand failure mechanisms and upper temperature limit of this extreme-temperature capable 4H-SiC IC technology. Here we report on additional experimental testing of custom-packaged 4H-SiC JFET IC devices at temperatures above 500 C. In one test, the temperature was ramped and then held at 727 C, and the devices were periodically measured until electrical failure was observed. A 4H-SiC JFET on this chip electrically functioned with little change for around 25 hours at 727 C before rapid increases in device resistance caused failure. In a second test, devices from our next generation 4H-SiC JFET ICs were ramped up and then held at 700 C (which is below the maximum deposition temperature of the dielectrics). Three ring oscillators functioned for 8 hours at this temperature before degradation. In a third experiment, an alternative die attach of gold paste and package lid was used, and logic circuit operation was demonstrated for 143.5 hours at 700 C.

Use of molecular oxygen to reduce EUV-induced carbon contamination of optics

NASA Astrophysics Data System (ADS)

Malinowski, Michael E.; Grunow, Philip A.; Steinhaus, Chip; Clift, W. Miles; Klebanoff, Leonard E.

2001-08-01

Carbon deposition and removal experiments on Mo/Si multilayer mirror (MLM) samples were performed using extreme ultraviolet (EUV) light on Beamline 12.0.1.2 of the Advanced Light Source, Lawrence Berkeley National Laboratory (LBNL). Carbon (C) was deposited onto Mo/Si multilayer mirror (MLM) samples when hydrocarbon vapors where intentionally introduced into the MLM test chamber in the presence of EUV at 13.44 nm (92.3eV). The carbon deposits so formed were removed by molecular oxygen + EUV. The MLM reflectivities and photoemission were measured in-situ during these carbon deposition and cleaning procedures. Auger Electron Spectroscopy (AES) sputter-through profiling of the samples was performed after experimental runs to help determine C layer thickness and the near-surface compositional-depth profiles of all samples studied. EUV powers were varied from ~0.2mW/mm2 to 3mW/mm2(at 13.44 nm) during both deposition and cleaning experiments and the oxygen pressure ranged from ~5x10-5 to 5x10-4 Torr during the cleaning experiments. C deposition rates as high as ~8nm/hr were observed, while cleaning rates as high as ~5nm/hr could be achieved when the highest oxygen pressure were used. A limited set of experiments involving intentional oxygen-only exposure of the MLM samples showed that slow oxidation of the MLM surface could occur.

Measurement and Modeling of Respiration Rate of Tomato (Cultivar Roma) for Modified Atmosphere Storage.

PubMed

Kandasamy, Palani; Moitra, Ranabir; Mukherjee, Souti

2015-01-01

Experiments were conducted to determine the respiration rate of tomato at 10, 20 and 30 °C using closed respiration system. Oxygen depletion and carbon dioxide accumulation in the system containing tomato was monitored. Respiration rate was found to decrease with increasing CO2 and decreasing O2 concentration. Michaelis-Menten type model based on enzyme kinetics was evaluated using experimental data generated for predicting the respiration rate. The model parameters that obtained from the respiration rate at different O2 and CO2 concentration levels were used to fit the model against the storage temperatures. The fitting was fair (R2 = 0.923 to 0.970) when the respiration rate was expressed as O2 concentation. Since inhibition constant for CO2 concentration tended towards negetive, the model was modified as a function of O2 concentration only. The modified model was fitted to the experimental data and showed good agreement (R2 = 0.998) with experimentally estimated respiration rate.

First Direct-Detection Constraints on eV-Scale Hidden-Photon Dark Matter with DAMIC at SNOLAB.

PubMed

Aguilar-Arevalo, A; Amidei, D; Bertou, X; Butner, M; Cancelo, G; Castañeda Vázquez, A; Cervantes Vergara, B A; Chavarria, A E; Chavez, C R; de Mello Neto, J R T; D'Olivo, J C; Estrada, J; Fernandez Moroni, G; Gaïor, R; Guardincerri, Y; Hernández Torres, K P; Izraelevitch, F; Kavner, A; Kilminster, B; Lawson, I; Letessier-Selvon, A; Liao, J; Matalon, A; Mello, V B B; Molina, J; Privitera, P; Ramanathan, K; Sarkis, Y; Schwarz, T; Settimo, M; Sofo Haro, M; Thomas, R; Tiffenberg, J; Tiouchichine, E; Torres Machado, D; Trillaud, F; You, X; Zhou, J

2017-04-07

We present direct detection constraints on the absorption of hidden-photon dark matter with particle masses in the range 1.2-30  eV c^{-2} with the DAMIC experiment at SNOLAB. Under the assumption that the local dark matter is entirely constituted of hidden photons, the sensitivity to the kinetic mixing parameter κ is competitive with constraints from solar emission, reaching a minimum value of 2.2×10^{-14} at 17  eV c^{-2}. These results are the most stringent direct detection constraints on hidden-photon dark matter in the galactic halo with masses 3-12  eV c^{-2} and the first demonstration of direct experimental sensitivity to ionization signals <12  eV from dark matter interactions.

An undergraduate laboratory experiment for measuring ɛ 0, μ 0 and speed of light c with do-it-yourself catastrophe machines: electrostatic and magnetostatic pendula

NASA Astrophysics Data System (ADS)

Mishonov, Todor M.; Varonov, Albert M.; Maksimovski, Dejan D.; Manolev, Stojan G.; Gourev, Vassil N.; Yordanov, Vasil G.

2017-03-01

An experimental set-up for electrostatic measurement of {\\varepsilon }0, separate magnetostatic measurement of {μ }0 and determination of the speed of light c=1/\\sqrt{{\\varepsilon }0{μ }0} according to Maxwell’s theory with percent accuracy is described. No forces are measured with the experimental set-up, therefore there is no need for a scale, and the experiment cost of less than £20 is mainly due to the batteries used. Multiplied 137 times, this experimental set-up was given at the Fourth Open International Experimental Physics Olympiad (EPO4) and a dozen high school students performed successful experiments. The experimental set-up actually contains two different pendula for electric and magnetic measurements. In the magnetic experiment the pendulum is constituted by a magnetic coil attracted to a fixed one. In the electrostatic pendulum when the distance between the plates becomes shorter than a critical value the suspended plate catastrophically sticks to the fixed one, while in the magnetic pendulum the same occurs when the current in the coils becomes greater than a certain critical value. The basic idea of the methodology is to use the loss of stability as a tool for the determination of fundamental constants.

Rapid reduction of MORB glass in piston cylinder experiments with graphite capsule - a XANES study

NASA Astrophysics Data System (ADS)

Ni, P.; Zhang, Y.; Fiege, A.; Newville, M.; Lanzirotti, A.

2017-12-01

Graphite capsules have been widely used in high-pressure, high-temperature experiments to prevent iron loss from iron-bearing samples. One common uncertainty with this experimental setup is the oxygen fugacity (fO2) inside the capsule imposed by the presence of graphite. As Holloway et al. (1992) pointed out, the use of graphite capsule places an upper limit on the fO2 in the experiment to be below CCO (graphite-CO-CO2 buffer). More recently, Medard et al. (2015) estimated the fO2 for their experiments using Pt-graphite or graphite-only capsules to be CCO-0.8. Despite the improved understanding on the fO2 using graphite capsule, the mechanism and kinetics of fO2 control in graphite capsule is still poorly understood. Such knowledge is especially important to understand whether equilibrium fO2 is reached in the sample when short experiment durations are needed (e.g. for kinetic experiments). In this study, MORB glasses after olivine dissolution (Chen and Zhang 2008) and plagioclase dissolution (Yu et al. 2016) experiments at 0.5 GPa and 1300 ºC with durations ranging from 10 s to 30 min are analyzed by XANES to obtain Fe3+/Fetotal profiles from their contact with the graphite capsule. The results show rapid Fe reduction away from the graphite-melt interface, causing a decrease of Fe3+/Fetotal from 12% to 3%. In a duration of 30 min, the 1200-µm-thick and 2000-µm-diameter basaltic glass reached near equilibrium in its iron oxidation state, with Fe3+/Fetotal ranging from 3% to 4% throughout the run product. The equilibrium Fe3+/Fetotal ratio corresponds to an fO2 of CCO-1.4, which is within error compared to the result in Medard et al. (2015). Even in the shortest experiment with an effective duration of only 10 s, a 60 µm long reduction profile was detected. Such a rapid fO2 change can be explained by rapid H2 diffusion in melt and its reaction with ferric iron: H2+Fe2O3=2FeO+H2O, which is also supported by the H2O concentration profiles measured along the reduction profile. Our results indicate rapid fO2 equilibration in MORB-glass-composition samples during nominally anhydrous graphite capsule experiments at 1300°C, and can be used to guide experimental designs.

A thermodynamic evaluation of the potential for cryptic formation of incidental Au-Fe alloy catalysts during flexible cell experimental studies of abiotic alkanogenesis during serpentinization

NASA Astrophysics Data System (ADS)

Lazar, C.

2017-12-01

The formation of abiotic alkanes via CO2 reduction during serpentinization is an important process in astrobiology and geochemistry. Aqueous alkane concentrations in natural settings are often non-equilibrated, thus motivating many experimental studies of CO2 reduction kinetics. A well-established result of such studies is the strong catalytic effect of metallic Feo on the conversion rate of CO2 to alkanes. Because alkanogenetic serpentinization experiments often feature Fe-bearing minerals contained in gold vessels, incidental metallic Feo may precipitate during an experiment as Au-Fe alloy. Such alloy may be catalytic, potentially leading to artificially rapid alkanogenesis and an overestimation of the catalytic strength of nominally nonmetallic Fe-bearing minerals, even if isotopically labeled 13C is used. To evaluate this potential for Au-Fe alloying, a thermodynamic analysis of the effect of oxygen fugacity on Au-Fe mixing has been performed at metamorphic grades relevant to experimental alkanogenesis. The results show that even relatively oxidized metal-free mineral assemblages such as the quartz-fayalite-magnetite buffer (QFM) can stably coexist with an Au-Fe alloy containing a few hundred ppm Fe. Given the strong catalytic effect of metallic Fe, any hydrocarbons generated during a hypothetical experiment containing, for example, the QFM assemblage might be catalyzed by trace Fe in an Au-Fe alloy, not by a QFM mineral. The effect is stronger for assemblages more reducing than QFM, which are notably common in serpentinites. This is a source of experimental uncertainty in reusable flexible gold cell apparatus that cannot be assessed by traditional blank experiments, which only demonstrate the effectiveness of post-run acid-cleaning procedures. A more effective approach would be the chemical analysis of a small, recoverable gold chip embedded into the experimental materials. By assuming that the experimental materials interact identically with the Au chip and with the Au vessel wall, it would be possible to explicitly evaluate whether catalytic Au-Fe alloy formed in situ in a given experiment.

Determination of the θ23 octant in long baseline neutrino experiments within and beyond the standard model

NASA Astrophysics Data System (ADS)

Das, C. R.; Pulido, João; Maalampi, Jukka; Vihonen, Sampsa

2018-02-01

The recent data indicate that the neutrino mixing angle θ23 deviates from the maximal-mixing value of 45°, showing two nearly degenerate solutions, one in the lower octant (LO) (θ23<4 5 ° ) and one in the higher octant (HO) (θ23>4 5 ° ). We investigate, using numerical simulations, the prospects for determining the octant of θ23 in the future long baseline oscillation experiments. We present our results as contour plots on the (θ23-4 5 ° , δ )-plane, where δ is the C P phase, showing the true values of θ23 for which the octant can be experimentally determined at 3 σ , 2 σ and 1 σ confidence level. In particular, we study the impact of the possible nonunitarity of neutrino mixing on the experimental determination of θ23 in those experiments.

[The effect of vestibuloprotectors on the cyclic nucleotide system in experimental motion sickness].

PubMed

Leshchiniuk, I I; Konovalova, E O; Kvitchataia, A I; Shamraĭ, V G; Bobkov, Iu G

1989-01-01

Changes in the blood plasma cyclic nucleotide (cAMP and cGMP) level under the effect of vestibuloprotectors: bemytil and etoxibemytil were studied in rats with experimental motion sickness. It is established that rotation causes increase in the cAMP level and decrease in the cGMP level. The effect of the vestibuloprotectors is determined by the dose of the drug and is aimed first of all at maintaining a stable cAMP level in vestibular exertion. Under conditions of this experiment etoxibemytil was more effective than bemytil.

Validation Results for Core-Scale Oil Shale Pyrolysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Staten, Josh; Tiwari, Pankaj

2015-03-01

This report summarizes a study of oil shale pyrolysis at various scales and the subsequent development a model for in situ production of oil from oil shale. Oil shale from the Mahogany zone of the Green River formation was used in all experiments. Pyrolysis experiments were conducted at four scales, powdered samples (100 mesh) and core samples of 0.75”, 1” and 2.5” diameters. The batch, semibatch and continuous flow pyrolysis experiments were designed to study the effect of temperature (300°C to 500°C), heating rate (1°C/min to 10°C/min), pressure (ambient and 500 psig) and size of the sample on product formation.more » Comprehensive analyses were performed on reactants and products - liquid, gas and spent shale. These experimental studies were designed to understand the relevant coupled phenomena (reaction kinetics, heat transfer, mass transfer, thermodynamics) at multiple scales. A model for oil shale pyrolysis was developed in the COMSOL multiphysics platform. A general kinetic model was integrated with important physical and chemical phenomena that occur during pyrolysis. The secondary reactions of coking and cracking in the product phase were addressed. The multiscale experimental data generated and the models developed provide an understanding of the simultaneous effects of chemical kinetics, and heat and mass transfer on oil quality and yield. The comprehensive data collected in this study will help advance the move to large-scale in situ oil production from the pyrolysis of oil shale.« less

High-temperature shock tube and modeling studies on the reactions of methanol with D-atoms and CH3-radicals.

PubMed

Peukert, S L; Michael, J V

2013-10-10

The shock tube technique has been used to study the hydrogen abstraction reactions D + CH3OH → CH2O + H + HD (A) and CH3 + CH3OH → CH2O + H + CH4 (B). For reaction A, the experiments span a T-range of 1016 K ≤ T ≤ 1325 K, at pressures 0.25 bar ≤ P ≤ 0.46 bar. The experiments on reaction B, CH3 + CH3OH, cover a T-range of 1138 K ≤ T ≤ 1270 K, at pressures around 0.40 bar. Reflected shock tube experiments, monitoring the depletion of D-atoms by applying D-atom atomic resonance absorption spectrometry (ARAS), were performed on reaction A using gas mixtures of C2D5I and CH3OH in Kr bath gas. C2D5I was used as precursor for D-atoms. For reaction B, reflected shock tube experiments monitoring H-atom formation with H-ARAS, were carried out using gas mixtures of diacetyl ((CH3CO)2) and CH3OH in Kr bath gas. (CH3CO)2 was used as the source of CH3-radicals. Detailed reaction models were assembled to fit the D-atom and H-atom time profiles in order to obtain experimental rate constants for reactions A and B. Total rate constants from the present experiments on D + CH3OH and CH3 + CH3OH can be represented by the Arrhenius equations kA(T) = 1.51 × 10(-10) exp(-3843 K/T) cm(3) molecules(-1) s(-1) (1016 K ≤ T ≤ 1325 K) and kB(T) = 9.62 × 10(-12) exp(-7477 K/T) cm(3) molecules(-1) s(-1) (1138 K ≤ T ≤ 1270 K). The experimentally obtained rate constants were compared with available rate data from the literature. The results from quantum chemical studies on reaction A were found to be in good agreement with the present results. The present work represents the first direct experimental study on these bimolecular reactions at combustion temperatures and is important to the high-temperature oxidation of CH3OH.

Experimental determination of the hydrothermal solubility of ReS2 and the Re–ReO2 buffer assemblage and transport of rhenium under supercritical conditions

PubMed Central

Xiong, Yongliang; Wood, Scott A

2002-01-01

To understand the aqueous species important for transport of rhenium under supercritical conditions, we conducted a series of solubility experiments on the Re–ReO2 buffer assemblage and ReS2. In these experiments, pH was buffered by the K–feldspar–muscovite–quartz assemblage; in sulfur-free systems was buffered by the Re–ReO2 assemblage; and and in sulfur-containing systems were buffered by the magnetite–pyrite–pyrrhotite assemblage. Our experimental studies indicate that the species ReCl40 is dominant at 400°C in slightly acidic to near-neutral, and chloride-rich (total chloride concentrations ranging from 0.5 to 1.0 M) environments, and ReCl3+ may predominate at 500°C in a solution with total chloride concentrations ranging from 0.5 to 1.5 M. The results also demonstrate that the solubility of ReS2 is about two orders of magnitude less than that of ReO2. This finding not only suggests that ReS2 (or a ReS2 component in molybdenite) is the solubility-controlling phase in sulfur-containing, reducing environments but also implies that a mixing process involving an oxidized, rhenium-containing solution and a solution with reduced sulfur is one of the most effective mechanisms for deposition of rhenium. In analogy with Re, TcS2 may be the stable Tc-bearing phase in deep geological repositories of radioactive wastes.

Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. II: n-Dodecane (n-C12H26).

PubMed

Zhao, Long; Yang, Tao; Kaiser, Ralf I; Troy, Tyler P; Ahmed, Musahid; Ribeiro, Joao Marcelo; Belisario-Lara, Daniel; Mebel, Alexander M

2017-02-16

We investigated temperature-dependent products in the pyrolysis of helium-seeded n-dodecane, which represents a surrogate of the n-alkane fraction of Jet Propellant-8 (JP-8) aviation fuel. The experiments were performed in a high temperature chemical reactor over a temperature range of 1200 K to 1600 K at a pressure of 600 Torr, with in situ identification of the nascent products in a supersonic molecular beam using single photon vacuum ultraviolet (VUV) photoionization coupled with the analysis of the ions in a reflectron time-of-flight mass spectrometer (ReTOF). For the first time, the initial decomposition products of n-dodecane-including radicals and thermally labile closed-shell species-were probed in experiments, which effectively exclude mass growth processes. A total of 15 different products were identified, such as molecular hydrogen (H 2 ), C2 to C7 1-alkenes [ethylene (C 2 H 4 ) to 1-heptene (C 7 H 14 )], C1-C3 radicals [methyl (CH 3 ), ethyl (C 2 H 5 ), allyl (C 3 H 5 )], small C1-C3 hydrocarbons [acetylene (C 2 H 2 ), allene (C 3 H 4 ), methylacetylene (C 3 H 4 )], as well as the reaction products [1,3-butadiene (C 4 H 6 ), 2-butene (C 4 H 8 )] attributed to higher-order processes. Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory combined with RRKM/master equation of rate constants for relevant reaction steps showed that n-dodecane decomposes initially by a nonterminal C-C bond cleavage and producing a mixture of alkyl radicals from ethyl to decyl with approximately equal branching ratios. The alkyl radicals appear to be unstable under the experimental conditions and to rapidly dissociate either directly by C-C bond β-scission to produce ethylene (C 2 H 4 ) plus a smaller 1-alkyl radical with the number of carbon atoms diminished by two or via 1,5-, 1,6-, or 1,7- 1,4-, 1,9-, or 1,8-H shifts followed by C-C β-scission producing alkenes from propene to 1-nonene together with smaller 1-alkyl radicals. The stability and hence the branching ratios of higher alkenes decrease as temperature increases. The C-C β-scission continues all the way to the propyl radical (C 3 H 7 ), which dissociates to methyl (CH 3 ) plus ethylene (C 2 H 4 ). In addition, at higher temperatures, another mechanism can contribute, in which hydrogen atoms abstract hydrogen from C 12 H 26 producing various n-dodecyl radicals and these radicals then decompose by C-C bond β-scission to C3 to C11 alkenes.

Studies of cosmogenic in-situ 14CO and 14CO2 produced in terrestrial and extraterrestrial samples: experimental procedures and applications

NASA Astrophysics Data System (ADS)

Lal, D.; Jull, A. J. T.

1994-06-01

We have developed an experimental procedure for quantitative extraction of cosmogenic in-situ 14C produced in terrestrial and extraterrestrial samples, in the two chemical forms 14CO and 14CO2 in which it is found to be present in these samples. The technique is based on wet digestion of the sample in vacuo with hydrofluoric acid at 60-80°C in a Kel-F® vessel. Kel-F is a homo-polymer (chlortrifluorethylene). The procedures and the digestion vessel sizes used allow convenient extraction of 14C activity from samples of 50 mg to 50 g weight. Procedure blanks were reduced considerably by the experience gained with the system, and can be reduced further. We determined that most of the in-situ 14C activity was present in the CO phase (> 60%) in the case of both terrestrial quartz and in bulk samples of meteorites, analogous to the case of in-situ production of 14C in ice. Some results of measurements of 14C activities in meteorites and in terrestrial samples are presented. The latter include several samples which have been studied earlier for in-situ 10Be (and 26Al) concentrations, and allow us to determine relative 14C and 10Be production rates in quartz.

Process optimization for osmo-dehydrated carambola (Averrhoa carambola L) slices and its storage studies.

PubMed

Roopa, N; Chauhan, O P; Raju, P S; Das Gupta, D K; Singh, R K R; Bawa, A S

2014-10-01

An osmotic-dehydration process protocol for Carambola (Averrhoacarambola L.,), an exotic star shaped tropical fruit, was developed. The process was optimized using Response Surface Methodology (RSM) following Central Composite Rotatable Design (CCRD). The experimental variables selected for the optimization were soak solution concentration (°Brix), soaking temperature (°C) and soaking time (min) with 6 experiments at central point. The effect of process variables was studied on solid gain and water loss during osmotic dehydration process. The data obtained were analyzed employing multiple regression technique to generate suitable mathematical models. Quadratic models were found to fit well (R(2), 95.58 - 98.64 %) in describing the effect of variables on the responses studied. The optimized levels of the process variables were achieved at 70°Brix, 48 °C and 144 min for soak solution concentration, soaking temperature and soaking time, respectively. The predicted and experimental results at optimized levels of variables showed high correlation. The osmo-dehydrated product prepared at optimized conditions showed a shelf-life of 10, 8 and 6 months at 5 °C, ambient (30 ± 2 °C) and 37 °C, respectively.

Plant functional types define magnitude of drought response in peatland CO2 exchange.

PubMed

Kuiper, Jan J; Mooij, Wolf M; Bragazza, Luca; Robroek, Bjorn J M

2014-01-01

Peatlands are important sinks for atmospheric carbon (C), yet the role of plant functional types (PFTs) for C sequestration under climatic perturbations is still unclear. A plant-removal experiment was used to study the importance of vascular PFTs for the net ecosystem CO2 exchange (NEE) during (i.e., resistance) and after (i.e., recovery) an experimental drought. The removal of PFTs caused a decrease of NEE, but the rate differed between microhabitats (i.e., hummocks and lawns) and the type of PFTs. Ericoid removal had a large effect on NEE in hummocks, while the graminoids played a major role in the lawns. The removal of PFTs did not affect the resistance or the recovery after the experimental drought. We argue that the response of Sphagnum mosses (the only PFT present in all treatments) to drought is dominant over that of coexisting PFTs. However, we observed that the moment in time when the system switched from C sink to C source during the drought was controlled by the vascular PFTs. In the light of climate change, the shifts in species composition or even the loss of certain PFTs are expected to strongly affect the future C dynamics in response to environmental stress.

The effect of pomelo citrus (Citrus maxima var. Nambangan), vitamin C and lycopene towards the number reduction of mice (Mus musculus) apoptotic hepatocyte caused of ochratoxin A

NASA Astrophysics Data System (ADS)

Badriyah, Hastuti, Utami Sri

2017-06-01

Foods can contaminated by some mycotoxin produced by molds. Ochratoxin A is a sort of mycotoxin that cause structural damage on hepatocytes. Pomelo citrus (Citrus maxima var. Nambangan) contain vitamin C and lycopene that have antioxidant character. This research is done to: 1)examine the effect of pomelo citrus juice, vitamin C, and lycopene treatment towards the number reduction of mice apoptotic hepatocytes caused by ochratoxin A exposure, 2)examine the effect of vitamin C mixed with lycopene treatment towards the number reduction of mice apoptotic hepatocytes caused by ochratoxin A exposure. The experimental group used male mice strain BALB-C in the age of three month and bodyweight 20-30 grams devided in 4 experiment group and control group. The experiment group I were administered pomelo citrus juice 0,5 ml/30 grams BW/day orally during 2 weeks and then administered with ochratoxin in the dose of 1 mg/kg BW during 1 week. The experiment group II were administered with vitamin C in the dose of 5,85 µg/30g BW with the same methods. The experiment group III were administered with lycopene in the dose of 0,1025 µg/30 g BW with the same methods. The experiment group IV were administered with vitamin C mixed with lycopene with the same methods. The control group were administered with ochratoxin A in the dose of 1 mg/kg BW per oral during 1 week. The apoptotic hepatocyte number were count by microscopic observation of hepatocyte slides from experiment group as well as control group with cytochemical staining. The research result shows that: 1) the pomelo citrus juice, vitamin C as well as lycopene administration could reduce the mice apoptotic hepatocyte number caused by ochratoxin A exposure, compared with the mice apoptotic hepatocyte number caused by ochratoxin A exposure only; 2) the vitamin C mixed with lycopene could reduce the mice apoptotic hepatocyte number caused by ochratoxin A exposure compared with the mice apoptotic hepatocyte number caused by ochratoxin exposure only.

Densification of oxide superconductors by hot isostatic pressing

NASA Astrophysics Data System (ADS)

Tien, J. K.; Borofka, J. C.; Hendrix, B. C.; Caulfield, T.; Reichman, S. H.

1988-07-01

Currently, consolidation of high Tc superconductor powders is done by sintering, which is not effective in the reduction of porosity. This work assesses the feasibility of hot isostatic pressing (HIP) to obtain fully dense bulk superconductor using HIP modeling and experimental verification. It is concluded that fully dense YBa2Cu3O7 can be obtained in reasonable times at temperatures down to around 650 °C. The trade-offs between temperature, time, and pressure are examined as well as the effects of powder particle size, powder grain size, and trapped gas pressure. The model has. been verified by experiment under three conditions: 100 MPa HIP at 900 °C for 2 hours, 100 MPa HIP at 750 °C for 2 hours, and sintering at 950 °C for 16 hours. The additional advantages of HIPing oxide superconductors are also discussed.

Containment Prospectus for the PIANO Experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burkhard, N R

2001-03-23

PIANO is a dynamic, subcritical, zero-yield experiment intended for execution in the U1a.102C drift of the U1a complex at the Nevada Test Site (NTS) (Figure 1). The data from the PIANO experiment will be used in the Stockpile Stewardship Program to assess the aging of nuclear weapon components and to better model the long-term performance of the weapons in the enduring stockpile. The PIANO experiment is composed of one experimental package. The experimental package will have high explosive (HE) and special nuclear material (SNM) in a subcritical assembly. The containment plan for the PIANO series of experiments utilizes a two-containment-vesselmore » concept. The first Containment vessel is formed by the primary containment barrier that seals the U1a.102C drift. The second containment vessel is formed by the secondary containment barrier in the U100 drift. The PIANO experiment is the final experiment to be conducted in the U1a.102C alcove. It will be an ''open'' experiment--meaning that PIANO will not utilize a confinement vessel as the previous OBOE experiments in this alcove did. We expect that the SNM from the PIANO experiment will be fully contained within the first containment vessel.« less

Experiments on two- and three-dimensional vortex flows in lid-driven cavities

NASA Astrophysics Data System (ADS)

Siegmann-Hegerfeld, Tanja; Albensoeder, Stefan; Kuhlmann, Hendrik C.

2009-11-01

Vortex flows in one-sided lid-driven cavities with different cross-sectional aspect ratios (γ = 0.26 up to γ = 6.3) are investigated experimentally. In all cases the spanwise aspect ratio λ>>γ is very large and much larger than most previous experiments. Flow-structure visualizations will be presented together with quantitative LDA and PIV measurements. The experimental results are in good agreement with the critical data from numerical stability analyses and with nonlinear simulations. Experimentally, we find four different three-dimensional instabilities. Particular attention is paid to the so-called C4 mode which arises at large cross-sectional aspect ratios. When the spanwise aspect ratio is small the first bifurcation of the C4 mode is strongly imperfect.

[Preparation of ibuprofen/EC-PVP sustained-release composite particles by supercritical CO2 anti-solvent technology].

PubMed

Cai, Jin-Yuan; Huang, De-Chun; Wang, Zhi-Xiang; Dang, Bei-Lei; Wang, Qiu-Ling; Su, Xin-Guang

2012-06-01

Ibuprofen/ethyl-cellulose (EC)-polyvinylpyrrolidone (PVP) sustained-release composite particles were prepared by using supercritical CO2 anti-solvent technology. With drug loading as the main evaluation index, orthogonal experimental design was used to optimize the preparation process of EC-PVP/ibuprofen composite particles. The experiments such as encapsulation efficiency, particle size distribution, electron microscope analysis, infrared spectrum (IR), differential scanning calorimetry (DSC) and in vitro dissolution were used to analyze the optimal process combination. The orthogonal experimental optimization process conditions were set as follows: crystallization temperature 40 degrees C, crystallization pressure 12 MPa, PVP concentration 4 mgmL(-1), and CO2 velocity 3.5 Lmin(-1). Under the optimal conditions, the drug loading and encapsulation efficiency of ibuprofen/EC-PVP composite particles were 12.14% and 52.21%, and the average particle size of the particles was 27.621 microm. IR and DSC analysis showed that PVP might complex with EC. The experiments of in vitro dissolution showed that ibuprofen/EC-PVP composite particles had good sustained-release effect. Experiment results showed that, ibuprofen/EC-PVP sustained-release composite particles can be prepared by supercritical CO2 anti-solvent technology.

Comments on PDF methods

NASA Technical Reports Server (NTRS)

Chen, J.-Y.

1992-01-01

Viewgraphs are presented on the following topics: the grand challenge of combustion engineering; research of probability density function (PDF) methods at Sandia; experiments of turbulent jet flames (Masri and Dibble, 1988); departures from chemical equilibrium; modeling turbulent reacting flows; superequilibrium OH radical; pdf modeling of turbulent jet flames; scatter plot for CH4 (methane) and O2 (oxygen); methanol turbulent jet flames; comparisons between predictions and experimental data; and turbulent C2H4 jet flames.

Energetic proton generation from intense Coulomb explosion of large-size ethane clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li Song; Zhou Zili; Tian Ye

An experimental investigation is performed on the interaction of intense femtosecond laser pulses at the intensity of 6 Multiplication-Sign 10{sup 17} W/cm{sup 2} (55 fs, 160 mJ at 800 nm) with ethane cluster (C{sub 2}H{sub 6}){sub N} jets prepared under the backing pressure of 30 bars at room temperature (298 K). The experiment results indicate the generation of energetic protons, whose average and maximum kinetic energies are 12.2 and 138.1 keV, respectively, by Coulomb explosion of (C{sub 2}H{sub 6}){sub N} clusters. (C{sub 2}H{sub 6}){sub N} clusters of 5 nm in radius are generated in the experiment, which are 1.7 timesmore » larger than that of (CH{sub 4}){sub N} clusters prepared in the same conditions. Empirical estimation suggests that (C{sub 2}H{sub 6}){sub N} clusters with radius of about 9.6 nm can be prepared at 80-bars backing pressure at 308 K. While (C{sub 2}H{sub 6}){sub N} clusters of so large size are irradiated by sufficiently intense laser pulses, the average energy of protons will be increased up to 50 keV. It is inferred that such large-size deuterated ethane clusters (C{sub 2}D{sub 6}){sub N} will favor more efficient neutron generation due to the significant increase of the D-D nuclear reaction cross section in laser-driven cluster nuclear fusion.« less

Experimental investigation on thermochemical sulfate reduction in the presence of 1-pentanethiol at 200 and 250 °C: Implications for in situ TSR processes occurring in some MVT deposits

USGS Publications Warehouse

Yuan, Shunda; Ellis, Geoffrey S.; Chou, I-Ming; Burruss, Robert

2017-01-01

Organic sulfur compounds are ubiquitous in natural oil and gas fields and moderate-low temperature sulfide ore deposits. Previous studies have shown that organic sulfur compounds are important in enhancing the rates of thermochemical sulfate reduction (TSR) reactions, but the details of these reaction mechanisms remain unclear. In order to assess the extent of sulfate reduction in the presence of labile sulfur species at temperature conditions near to those where TSR occurs in nature, we conducted a series of experiments using the fused silica capillary capsule (FCSS) method. The tested systems containing labile sulfur species are MgSO4 + 1-pentanethiol (C5H11SH) + 1-octene (C8H16), MgSO4 + 1-octene (C8H16), MgSO4 + 1-pentanethiol (C5H11SH), 1-pentanethiol (C5H11SH)+H2O, and MgSO4 + 1-pentanethiol (C5H11SH) + ZnBr2 systems. Our results show that: (1) intermediate oxidized carbon species (ethanol and acetic acid) are formed during TSR simulation experiments when 1-pentanethiol is present; (2) in the presence of ZnBr2, 1-pentanethiol can be oxidized by sulfate to CO2 at 200 °C, which is within the temperature range observed in natural TSR; and (3) the precipitation of sulfide minerals may significantly promote the rate of TSR, indicating that the rates of in situ TSR reactions in ore deposits could be much faster than previously thought. This may be important for understanding the possibility of in situ TSR as a mechanism for the precipitation of metal sulfides in some ore deposits. These findings provide important experimental evidence for understanding the role of organic sulfur compounds in TSR reactions and the pathway of TSR reactions initiated by organic sulfur compounds under natural conditions.

Ultrafast pump-probe and 2DIR anisotropy and temperature-dependent dynamics of liquid water within the E3B model.

PubMed

Ni, Yicun; Skinner, J L

2014-07-14

Recently, Tainter et al. [J. Chem. Phys. 134, 184501 (2011)] reparameterized a new rigid water model (E3B) that explicitly includes three-body interactions in its Hamiltonian. Compared to commonly used water models such as SPC/E and TIP4P, the new model shows better agreement with experiment for many physical properties including liquid density, melting temperature, virial coefficients, etc. However, the dynamics of the E3B model, especially as a function of temperature, has not been systematically evaluated. Experimental nonlinear vibrational spectroscopy is an ideal tool to study the dynamics of matter in condensed phases. In the present study, we calculate linear and nonlinear vibrational spectroscopy observables for liquid water using the E3B model at five temperatures: 10, 30, 50, 70 and 90 °C. Specifically, we calculate absorption and Raman spectra and pump-probe anisotropy for HOD in H2O at all temperatures, frequency-resolved pump-probe anisotropy for HOD in both H2O and D2O at 30 °C, and 2DIR anisotropy for HOD in D2O at 30 °C. In all cases, we find reasonable agreement with experiment, and for the ultrafast spectroscopy our results are a significant improvement over those of the SPC/E model. A likely reason for this improvement is that the three-body interaction terms in the E3B model are able to model cooperative hydrogen bonding. We also calculate rotational and frequency relaxation times at all temperatures, and fit the results to the Arrhenius equation. We find that the activation energy for hydrogen-bond switching in liquid water is 3.8 kcal/mol, which agrees well with the experimental value of 3.7 kcal/mol obtained from anisotropy decay experiments.

Two-Oxide Disequilibrium: A New Geospeedometer Based on Diffusion in Ilmenite

NASA Astrophysics Data System (ADS)

Williams, K. B.; Krawczynski, M. J.; Van Orman, J. A.

2016-12-01

Diffusion-annealing experiments were conducted in a 0.5" piston cylinder apparatus to investigate diffusivity of Fe2+, Mg2+, and Mn2+ in ilmenite solid solutions between 800ºC and 1000ºC. Polycrystalline ilmenite (FeTiO3) was juxtaposed against either an oriented geikielite (MgTiO3) single crystal or polycrystalline Mn-bearing (5 mol% Mn) ilmenite, in a "diffusion-couple" geometry. Geikielite single crystals were synthesized at Los Alamos National Laboratory, cut into 1 mm edge-length cubes, and polished either perpendicular or parallel to the c-axis. Polycrystalline ilmenite starting materials were synthesized by mixing high purity reagent-grade oxides (FeO, MnO, and TiO2) and sintering in a piston cylinder apparatus, then cut into wafers and polished. Experimental run products were analyzed by electron microprobe at Washington University in St. Louis. Microprobe analyses were obtained perpendicularly across the diffusion interface for each experiment. Experimental diffusion profiles create smooth curves that, when fit with an error function, define Fe-Mg and Fe-Mn interdiffusion coefficients in ilmenite. The diffusion coefficients do not appear compositionally dependent, but do show significant anisotropy. Preliminary results suggest diffusion activation energies are lower in ilmenite than in titanomagnetite [1]. Ilmenite-titanomagnetite equilibria define pre-eruptive temperatures and oxygen fugacities. However, oxides often exist out of equilibrium [2]. We use the cation diffusion data for ilmenite and existing data on titanomagnetite to establish two-oxide disequilibrium as a geospeedometer. Our data constrain oxide-oxide re-equilibration timescales at Mt. Unzen to months, consistent with estimates from zoned, single crystals of magnetite [3,4]. Future experiments will examine the effect of oxygen fugacity on diffusivity in ilmenite solid solutions. References:[1] Van Orman & Crispin (2010) RiMG 72, 757-825.[2] Bacon & Hirschmann (1988) Am. Min. 73, 57-61.[3] Nakamura (1995) Geology 23, 807-810.[4] Venezky & Rutherford (1999) J. Volc. Geo. Res. 89, 213-230.

Positron annihilation in perovskite superconductors; Theory and experiment

NASA Astrophysics Data System (ADS)

Turchi, P. E. A.; Wachs, A. L.; Jean, Y. C.; Howell, R. H.; Wetzler, K. H.; Fluss, M. J.

1988-06-01

Positron Annihilation Spectroscopy is shown to be of potential value for probing the electronic structure and the changes accompanying the superconducting transition of the new high T c materials. The experimental results of electron-positron momentum distribution for La 2CuO 4 agree with a ligand field approach, suggesting a strong electron localization and the importance of the covalency.

Modelling PET radionuclide production in tissue and external targets using Geant4

NASA Astrophysics Data System (ADS)

Amin, T.; Infantino, A.; Lindsay, C.; Barlow, R.; Hoehr, C.

2017-07-01

The Proton Therapy Facility in TRIUMF provides 74 MeV protons extracted from a 500 MeV H- cyclotron for ocular melanoma treatments. During treatment, positron emitting radionuclides such as 1C, 15O and 13N are produced in patient tissue. Using PET scanners, the isotopic activity distribution can be measured for in-vivo range verification. A second cyclotron, the TR13, provides 13 MeV protons onto liquid targets for the production of PET radionuclides such as 18F, 13N or 68Ga, for medical applications. The aim of this work was to validate Geant4 against FLUKA and experimental measurements for production of the above-mentioned isotopes using the two cyclotrons. The results show variable degrees of agreement. For proton therapy, the proton-range agreement was within 2 mm for 11C activity, whereas 13N disagreed. For liquid targets at the TR13 the average absolute deviation ratio between FLUKA and experiment was 1.9±2.7, whereas the average absolute deviation ratio between Geant4 and experiment was 0. 6±0.4. This is due to the uncertainties present in experimentally determined reaction cross sections.

Electro-Chemical Behavior of Low Carbon Steel Under H2S Influence

NASA Astrophysics Data System (ADS)

Zaharia, M. G.; Stanciu, S.; Cimpoesu, R.; Nejneru, C.; Savin, C.; Manole, V.; Cimpoeșu, N.

2017-06-01

Abstract A commercial low carbon steel material (P265GH) with application at industrial scale for natural gas delivery and transportation systems was analyzed in H2S atmosphere. The article proposed a new experimental cell in order to establish the behavior of the material in sulfur contaminated environment. In most of the industrial processes for gas purification the corrosion rate is speed up by the presence of S (sulfur) especially as ions or species like H2S. The H2S (hydrogen sulfide) is, beside a very toxic compound, a very active element in the acceleration of metallic materials deterioration especially in complex solicitations like pressure and temperature in the same time. For experiments we used a three electrodes cell with Na2SO4 + Na2S solution at pH 3 at room temperature (∼ 25 °C) to realize EIS (electrochemical impedance spectroscopy) and potentio-dynamic polarization experiments. Scanning electron microscopy and X-ray dispersive energy spectroscopy were used to characterize the metallic material surface exposed to experimental environment.

The Capillary Flow Experiments Aboard the International Space Station: Increments 9-15

NASA Technical Reports Server (NTRS)

Jenson, Ryan M.; Weislogel, Mark M.; Tavan, Noel T.; Chen, Yongkang; Semerjian, Ben; Bunnell, Charles T.; Collicott, Steven H.; Klatte, Jorg; dreyer, Michael E.

2009-01-01

This report provides a summary of the experimental, analytical, and numerical results of the Capillary Flow Experiment (CFE) performed aboard the International Space Station (ISS). The experiments were conducted in space beginning with Increment 9 through Increment 16, beginning August 2004 and ending December 2007. Both primary and extra science experiments were conducted during 19 operations performed by 7 astronauts including: M. Fincke, W. McArthur, J. Williams, S. Williams, M. Lopez-Alegria, C. Anderson, and P. Whitson. CFE consists of 6 approximately 1 to 2 kg handheld experiment units designed to investigate a selection of capillary phenomena of fundamental and applied importance, such as large length scale contact line dynamics (CFE-Contact Line), critical wetting in discontinuous structures (CFE-Vane Gap), and capillary flows and passive phase separations in complex containers (CFE-Interior Corner Flow). Highly quantitative video from the simply performed flight experiments provide data helpful in benchmarking numerical methods, confirming theoretical models, and guiding new model development. In an extensive executive summary, a brief history of the experiment is reviewed before introducing the science investigated. A selection of experimental results and comparisons with both analytic and numerical predictions is given. The subsequent chapters provide additional details of the experimental and analytical methods developed and employed. These include current presentations of the state of the data reduction which we anticipate will continue throughout the year and culminate in several more publications. An extensive appendix is used to provide support material such as an experiment history, dissemination items to date (CFE publication, etc.), detailed design drawings, and crew procedures. Despite the simple nature of the experiments and procedures, many of the experimental results may be practically employed to enhance the design of spacecraft engineering systems involving capillary interface dynamics.

Synergy between nutrients and warming enhances methane ebullition from experimental lakes

NASA Astrophysics Data System (ADS)

Davidson, Thomas A.; Audet, Joachim; Jeppesen, Erik; Landkildehus, Frank; Lauridsen, Torben L.; Søndergaard, Martin; Syväranta, Jari

2018-01-01

Lakes and ponds are important natural sources of the potent greenhouse gas methane (CH4), with small shallow waters identified as particular hotspots1,2. Ebullition (bubbles) of CH4 makes up a large proportion of total CH4 flux3,4. However, difficulty measuring such episodic events5 makes prediction of how ebullition responds to nutrient enrichment and rising temperatures challenging. Here, the world's longest running, mesocosm-based, shallow lake climate change experiment was used to investigate how the combination of warming and eutrophication (that is, nutrient enrichment) affects CH4 ebullition. Eutrophication without heating increased the relative contribution of ebullition from 51% to 75%. More strikingly the combination of nutrient enrichment and experimental warming treatments of +2-3 °C and +4-5 °C had a synergistic effect, increasing mean annual ebullition by at least 1900 mg CH4-C m-2 yr-1. In contrast, diffusive flux showed no response to eutrophication and only a small increase at higher temperatures (average 63 mg CH4-C m-2 yr-1). As shallow lakes are the most common lake type globally, abundant in highly climate sensitive regions6 and most vulnerable to eutrophication, these results suggest their current and future contributions to atmospheric CH4 concentrations may be significantly underestimated.

Threats to the Internal Validity of Experimental and Quasi-Experimental Research in Healthcare.

PubMed

Flannelly, Kevin J; Flannelly, Laura T; Jankowski, Katherine R B

2018-01-01

The article defines, describes, and discusses the seven threats to the internal validity of experiments discussed by Donald T. Campbell in his classic 1957 article: history, maturation, testing, instrument decay, statistical regression, selection, and mortality. These concepts are said to be threats to the internal validity of experiments because they pose alternate explanations for the apparent causal relationship between the independent variable and dependent variable of an experiment if they are not adequately controlled. A series of simple diagrams illustrate three pre-experimental designs and three true experimental designs discussed by Campbell in 1957 and several quasi-experimental designs described in his book written with Julian C. Stanley in 1966. The current article explains why each design controls for or fails to control for these seven threats to internal validity.

BIOPACK: the ground controlled late access biological research facility.

PubMed

van Loon, Jack J W A

2004-03-01

Future Space Shuttle flights shall be characterized by activities necessary to further build the International Space Station, ISS. During these missions limited resources are available to conduct biological experiments in space. The Shuttles' Middeck is a very suitable place to conduct science during the ISS assembly missions or dedicated science missions. The BIOPACK, which flew its first mission during the STS-107, provides a versatile Middeck Locker based research tool for gravitational biology studies. The core facility occupies the space of only two Middeck Lockers. Experiment temperatures are controlled for bacteria, plant, invertebrate and mammalian cultures. Gravity levels and profiles can be set ranging from 0 to 2.0 x g on three independent centrifuges. This provides the experimenter with a 1.0 x g on-board reference and intermediate hypogravity and hypergravity data points to investigate e.g. threshold levels in biological responses. Temperature sensitive items can be stored in the facilities' -10 degrees C and +4 degrees C stowage areas. During STS-107 the facility also included a small glovebox (GBX) and passive temperature controlled units (PTCU). The GBX provides the experimenter with two extra levels of containment for safe sample handling. This biological research facility is a late access (L-10 hrs) laboratory, which, when reaching orbit, could automatically be starting up reducing important experiment lag-time and valuable crew time. The system is completely telecommanded when needed. During flight system parameters like temperatures, centrifuge speeds, experiment commanding or sensor readouts can be monitored and changed when needed. Although ISS provides a wide range of research facilities there is still need for an STS-based late access facility such as the BIOPACK providing experimenters with a very versatile research cabinet for biological experiments under microgravity and in-flight control conditions.

Separating Drought Effects from Roof Artifacts on Ecosystem Processes in a Grassland Drought Experiment

PubMed Central

Vogel, Anja; Fester, Thomas; Eisenhauer, Nico; Scherer-Lorenzen, Michael; Schmid, Bernhard; Weisser, Wolfgang W.; Weigelt, Alexandra

2013-01-01

1 Given the predictions of increased drought probabilities under various climate change scenarios, there have been numerous experimental field studies simulating drought using transparent roofs in different ecosystems and regions. Such roofs may, however, have unknown side effects, called artifacts, on the measured variables potentially confounding the experimental results. A roofed control allows the quantification of potential artifacts, which is lacking in most experiments. 2 We conducted a drought experiment in experimental grasslands to study artifacts of transparent roofs and the resulting effects of artifacts on ecosystems relative to drought on three response variables (aboveground biomass, litter decomposition and plant metabolite profiles). We established three drought treatments, using (1) transparent roofs to exclude rainfall, (2) an unroofed control treatment receiving natural rainfall and (3) a roofed control, nested in the drought treatment but with rain water reapplied according to ambient conditions. 3 Roofs had a slight impact on air (+0.14°C during night) and soil temperatures (−0.45°C on warm days, +0.25°C on cold nights), while photosynthetically active radiation was decreased significantly (−16%). Aboveground plant community biomass was reduced in the drought treatment (−41%), but there was no significant difference between the roofed and unroofed control, i.e., there were no measurable roof artifact effects. 4 Compared to the unroofed control, litter decomposition was decreased significantly both in the drought treatment (−26%) and in the roofed control treatment (−18%), suggesting artifact effects of the transparent roofs. Moreover, aboveground metabolite profiles in the model plant species Medicago x varia were different from the unroofed control in both the drought and roofed control treatments, and roof artifact effects were of comparable magnitude as drought effects. 5 Our results stress the need for roofed control treatments when using transparent roofs for studying drought effects, because roofs can cause significant side effects. PMID:23936480

Evaluation of modeled cloud chemistry mechanism against laboratory irradiation experiments: The HxOy/iron/carboxylic acid chemical system

NASA Astrophysics Data System (ADS)

Long, Yoann; Charbouillot, Tiffany; Brigante, Marcello; Mailhot, Gilles; Delort, Anne-Marie; Chaumerliac, Nadine; Deguillaume, Laurent

2013-10-01

Currently, cloud chemistry models are including more detailed and explicit multiphase mechanisms based on laboratory experiments that determine such values as kinetic constants, stability constants of complexes and hydration constants. However, these models are still subject to many uncertainties related to the aqueous chemical mechanism they used. Particularly, the role of oxidants such as iron and hydrogen peroxide in the oxidative capacity of the cloud aqueous phase has typically never been validated against laboratory experimental data. To fill this gap, we adapted the M2C2 model (Model of Multiphase Cloud Chemistry) to simulate irradiation experiments on synthetic aqueous solutions under controlled conditions (e.g., pH, temperature, light intensity) and for actual cloud water samples. Various chemical compounds that purportedly contribute to the oxidative budget in cloud water (i.e., iron, oxidants, such as hydrogen peroxide: H2O2) were considered. Organic compounds (oxalic, formic and acetic acids) were taken into account as target species because they have the potential to form iron complexes and are good indicators of the oxidative capacity of the cloud aqueous phase via their oxidation in this medium. The range of concentrations for all of the chemical compounds evaluated was representative of in situ measurements. Numerical outputs were compared with experimental data that consisted of a time evolution of the concentrations of the target species. The chemical mechanism in the model describing the “oxidative engine” of the HxOy/iron (HxOy = H2O2, HO2rad /O2rad - and HOrad ) chemical system was consistent with laboratory measurements. Thus, the degradation of the carboxylic acids evaluated was closely reproduced by the model. However, photolysis of the Fe(C2O4)+ complex needs to be considered in cloud chemistry models for polluted conditions (i.e., acidic pH) to correctly reproduce oxalic acid degradation. We also show that iron and formic acid lead to a stable complex whose photoreactivity has currently not been investigated. The updated aqueous chemical mechanism was compared with data from irradiation experiments using natural cloud water. The new reactions considered in the model (i.e., iron complex formation with oxalic and formic acids) correctly reproduced the experimental observations.

Experimental validation of Swy-2 clay standard's PHREEQC model

NASA Astrophysics Data System (ADS)

Szabó, Zsuzsanna; Hegyfalvi, Csaba; Freiler, Ágnes; Udvardi, Beatrix; Kónya, Péter; Székely, Edit; Falus, György

2017-04-01

One of the challenges of the present century is to limit the greenhouse gas emissions for the mitigation of climate change which is possible for example by a transitional technology, CCS (Carbon Capture and Storage) and, among others, by the increase of nuclear proportion in the energy mix. Clay minerals are considered to be responsible for the low permeability and sealing capacity of caprocks sealing off stored CO2 and they are also the main constituents of bentonite in high level radioactive waste disposal facilities. The understanding of clay behaviour in these deep geological environments is possible through laboratory batch experiments of well-known standards and coupled geochemical models. Such experimentally validated models are scarce even though they allow deriving more precise long-term predictions of mineral reactions and rock and bentonite degradation underground and, therefore, ensuring the safety of the above technologies and increase their public acceptance. This ongoing work aims to create a kinetic geochemical model of Na-montmorillonite standard Swy-2 in the widely used PHREEQC code, supported by solution and mineral composition results from batch experiments. Several four days experiments have been carried out in 1:35 rock:water ratio at atmospheric conditions, and with inert and CO2 supercritical phase at 100 bar and 80 ⁰C relevant for the potential Hungarian CO2 reservoir complex. Solution samples have been taken during and after experiments and their compositions were measured by ICP-OES. The treated solid phase has been analysed by XRD and ATR-FTIR and compared to in-parallel measured references (dried Swy-2). Kinetic geochemical modelling of the experimental conditions has been performed by PHREEQC version 3 using equations and kinetic rate parameters from the USGS report of Palandri and Kharaka (2004). The visualization of experimental and numerous modelling results has been automatized by R. Experiments and models show very fast reactions under the studied conditions and increased reactivity in presence of scCO2. A model sensitivity analysis has pointed out that the continuously changing solution composition results cannot be described by the change of the uncertain reactive surface area of mineral phases in the model and still several orders of magnitude different ion-concentrations are predicted. However, by considering the clay standard's cation exchange capacity divided proportionally among interlayer cations of Na-montmorillonite, the measured variation can be described on an order of magnitude level. It is furthermore indicated that not only the interlayer cations take part in this process but a minor proportion of other, structural ions as well, differently in the reference and scCO2 environments. Experimental methodological aspects of the work, such as solution sampling, solid sample post-experimental treatment, solution and solid sample analysis sensitivity, expected experimental by-products etc. are also to be addressed.

Quantification of DNA cleavage specificity in Hi-C experiments.

PubMed

Meluzzi, Dario; Arya, Gaurav

2016-01-08

Hi-C experiments produce large numbers of DNA sequence read pairs that are typically analyzed to deduce genomewide interactions between arbitrary loci. A key step in these experiments is the cleavage of cross-linked chromatin with a restriction endonuclease. Although this cleavage should happen specifically at the enzyme's recognition sequence, an unknown proportion of cleavage events may involve other sequences, owing to the enzyme's star activity or to random DNA breakage. A quantitative estimation of these non-specific cleavages may enable simulating realistic Hi-C read pairs for validation of downstream analyses, monitoring the reproducibility of experimental conditions and investigating biophysical properties that correlate with DNA cleavage patterns. Here we describe a computational method for analyzing Hi-C read pairs to estimate the fractions of cleavages at different possible targets. The method relies on expressing an observed local target distribution downstream of aligned reads as a linear combination of known conditional local target distributions. We validated this method using Hi-C read pairs obtained by computer simulation. Application of the method to experimental Hi-C datasets from murine cells revealed interesting similarities and differences in patterns of cleavage across the various experiments considered. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Measurements of relative chemical shift tensor orientations in solid-state NMR: new slow magic angle spinning dipolar recoupling experiments.

PubMed

Jurd, Andrew P S; Titman, Jeremy J

2009-08-28

Solid-state NMR experiments can be used to determine conformational parameters, such as interatomic distances and torsion angles. The latter can be obtained from measurements of the relative orientation of two chemical shift tensors, if the orientation of these with respect to the surrounding bonds is known. In this paper, a new rotor-synchronized magic angle spinning (MAS) dipolar correlation experiment is described which can be used in this way. Because the experiment requires slow MAS rates, a novel recoupling sequence, designed using symmetry principles, is incorporated into the mixing period. This recoupling sequence is based in turn on a new composite cyclic pulse referred to as COAST (for combined offset and anisotropy stabilization). The new COAST-C7(2)(1) sequence is shown to give good theoretical and experimental recoupling efficiency, even when the CSA far exceeds the MAS rate. In this regime, previous recoupling sequences, such as POST-C7(2)(1), exhibit poor recoupling performance. The effectiveness of the new method has been explored by a study of the dipeptide L-phenylalanyl-L-phenylalanine.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bridgham, Scott D.; Keller, Jason K.; Zhuang, Qianlai

This project was funded from June 15, 2012 through June 15, 2015, with a no-cost extension until Sept. 15, 2016. Our project focused on a whole-ecosystem warming and enhanced atmospheric CO 2 experiment in the S1 Bog in Marcell Experimental Forest in northern Minnesota, USA called “Spruce and Peatland Responses Under Climatic and Environmental Change” (SPRUCE; http://mnspruce.ornl.gov). Construction of substantial infrastructure required for these treatments was beyond our control and led to a staggered initiation of experimental treatments at this site. Deep peat heating (DPH) was instituted in June 2014, whole-ecosystem warming began in August 2015, and the CO 2more » enhancement began in June 2016. Prior to the initiation of the experimental treatments, we completed a large amount of research to better understand factors controlling anaerobic carbon (C) cycling, and particularly methane (CH 4) dynamics, in northern peatlands in an effort to put the SPRUCE project in a broader context. We additionally focused extensively on the DPH treatment, which provided a unique opportunity to isolate warming effects on the vast reservoir of permanently anaerobic C stored in peatlands below the water table.« less

Copper benchmark experiment for the testing of JEFF-3.2 nuclear data for fusion applications

NASA Astrophysics Data System (ADS)

Angelone, M.; Flammini, D.; Loreti, S.; Moro, F.; Pillon, M.; Villar, R.; Klix, A.; Fischer, U.; Kodeli, I.; Perel, R. L.; Pohorecky, W.

2017-09-01

A neutronics benchmark experiment on a pure Copper block (dimensions 60 × 70 × 70 cm3) aimed at testing and validating the recent nuclear data libraries for fusion applications was performed in the frame of the European Fusion Program at the 14 MeV ENEA Frascati Neutron Generator (FNG). Reaction rates, neutron flux spectra and doses were measured using different experimental techniques (e.g. activation foils techniques, NE213 scintillator and thermoluminescent detectors). This paper first summarizes the analyses of the experiment carried-out using the MCNP5 Monte Carlo code and the European JEFF-3.2 library. Large discrepancies between calculation (C) and experiment (E) were found for the reaction rates both in the high and low neutron energy range. The analysis was complemented by sensitivity/uncertainty analyses (S/U) using the deterministic and Monte Carlo SUSD3D and MCSEN codes, respectively. The S/U analyses enabled to identify the cross sections and energy ranges which are mostly affecting the calculated responses. The largest discrepancy among the C/E values was observed for the thermal (capture) reactions indicating severe deficiencies in the 63,65Cu capture and elastic cross sections at lower rather than at high energy. Deterministic and MC codes produced similar results. The 14 MeV copper experiment and its analysis thus calls for a revision of the JEFF-3.2 copper cross section and covariance data evaluation. A new analysis of the experiment was performed with the MCNP5 code using the revised JEFF-3.3-T2 library released by NEA and a new, not yet distributed, revised JEFF-3.2 Cu evaluation produced by KIT. A noticeable improvement of the C/E results was obtained with both new libraries.

Experimental Melting Study of Basalt-Peridotite Hybrid Source: Constrains on Chemistry of Recycled Component

NASA Astrophysics Data System (ADS)

Gao, S.; Takahashi, E.; Matsukage, K. N.; Suzuki, T.; Kimura, J. I.

2015-12-01

It is believed that magma genesis of OIB is largely influenced by recycled oceanic crust component involved in the mantle plume (e.g., Hauri et al., 1996; Takahashi & Nakajima., 2002; Sobolev et al., 2007). Mallik & Dasgupta (2012) reported that the wall-rock reaction in MORB-eclogite and peridotite layered experiments produced a spectrum of tholeiitic to alkalic melts. However, the proper eclogite source composition is still under dispute. In order to figure out the geochemistry of recycled component as well as their melting process, we conducted a series of high-P, high-T experiments. Melting experiments (1~10hrs) were performed under 2.9GPa with Boyd-England type piston-cylinder (1460~1540°C for dry experiments, 1400~1500°C for hydrous experiments) and 5GPa with Kawai-type multi-anvil (1550~1650°C for dry experiments, 1350~1550°C for hydrous experiments), at the Magma Factory, Tokyo Tech. Spinel lherzolite KLB-1 (Takahashi 1986) was employed as peridotite component. Two basalts were used as recycled component: Fe-enriched Columbia River basalt (CRB72-180, Takahashi et al., 1998) and N-type MORB (NAM-7, Yasuda et al., 1994). In dry experiments below peridotite dry solidus, melt compositions ranged from basaltic andesite to tholeiite. Opx reaction band generated between basalt and peridotite layer hindered chemical reaction. On the other hand, alkali basalt was formed in hydrous run products because H2O promoted melting process in both layers. Compared with melts formed by N-MORB-peridotite runs, those layered experiments with CRB are enriched in FeO, TiO2, K2O and light REE at given MgO. In other words, melts produced by CRB-peridotite layered experiments are close to alkali basalts in OIB and tholeiite in Hawaii, while those by layered experiments with N-MORB are poor in above elements. Thus we propose that Fe-rich Archean or Proterozoic tholeiite (BVSP 1980) would be a possible candidate for recycled component in OIB source.

47 CFR 5.93 - Limited market studies.

Code of Federal Regulations, 2012 CFR

2012-10-01

... the experiment that the service or device is granted under an experimental authorization and is strictly temporary. (c) The size and scope of the experiment are subject to limitations as the Commission...

Precise orbit determination for BDS3 experimental satellites using iGMAS and MGEX tracking networks

NASA Astrophysics Data System (ADS)

Li, Xingxing; Yuan, Yongqiang; Zhu, Yiting; Huang, Jiande; Wu, Jiaqi; Xiong, Yun; Zhang, Xiaohong; Li, Xin

2018-04-01

In this contribution, we focus on the precise orbit determination (POD) for BDS3 experimental satellites with the international GNSS Monitoring and Assessment System (iGMAS) and Multi-GNSS Experiment (MGEX) tracking networks. The datasets of DOY (day of year) 001-230 in 2017 are analyzed with different processing strategies. By comparing receiver clock biases and receiver B1I-B3I DCBs, it is confirmed that there is no obvious systematic bias between experimental BDS3 and BDS2 in the common B1I and B3I signals, which indicates that experimental BDS3 and BDS2 can be treated as one system when performing combined POD. With iGMAS-only BDS3 stations, the 24-h overlap RMS of BDS3 + BDS2 + GPS combined POD is 24.3, 16.1 and 8.4 cm in along-track, cross-track and radial components, which is better than BDS3-only POD by 80-90% and better than BDS3+BDS2 combined POD by about 10%. With more stations (totally 20 stations from both iGMAS and MGEX) and the proper ambiguity resolution strategy (GEO ambiguities are float and BDS3 ambiguities are fixed), the performance of BDS3 POD can be further improved to 14.6, 7.9 and 3.7 cm, respectively, in along-track, cross-track and radial components, which is comparable to the performance of BDS2 POD. The 230-day SLR validations of C32, C33 and C34 show that the mean differences of - 3.48 , 7.81 and 8.19 cm can be achieved, while the STD is 13.35, 13.46 and 13.11 cm, respectively. Furthermore, the 230-day overlap comparisons reveal that C31 most likely still uses an orbit-normal mode and exhibits similar orbit modeling problems in orbit-normal periods as found in most of the BDS2 satellites.

Experimental Study of a Pulse Detonation Engine Driven Ejector

NASA Technical Reports Server (NTRS)

Santoro, Robert J.; Pal, Sibtosh; Shehadeh, R.; Saretto, S.; Lee, S.-Y.

2005-01-01

Results of an experimental effort on pulse detonation driven ejectors are presented and discussed. The experiments were conducted using a pulse detonation engine (PDE)/ejector setup that was specifically designed for the study. The results of various experiments designed to probe different aspects of the PDE/ejector setup are reported. The baseline PDE was operated using ethylene (C2H4) as the fuel and an oxygen/nitrogen (O2 + N2) mixture at an equivalence ratio of one. The PDE only experiments included propellant mixture characterization using a laser absorption technique, high fidelity thrust measurements using an integrated spring-damper system, and shadowgraph imaging of the detonation/shock wave structure emanating from the tube. The baseline PDE thrust measurement results are in excellent agreement with experimental and modeling results reported in the literature. These PDE setup results were then used as a basis for quantifying thrust augmentation for various PDE/ejector setups with constant diameter ejector tubes and various detonation tube/ejector tube overlap distances. The results show that for the geometries studied here, a maximum thrust augmentation of 24% is achieved. Further increases are possible by tailoring the ejector geometry based on CFD predictions conducted elsewhere. The thrust augmentation results are complemented by shadowgraph imaging of the flowfield in the ejector tube inlet area and high frequency pressure transducer measurements along the length of the ejector tube.

Experimental Investigations of Boron, Lithium, and Halogens During High-Temperature Water-Rock Interaction: Insights into the Yellowstone Hydrothermal System

NASA Astrophysics Data System (ADS)

Cullen, J. T.; Hurwitz, S.; Thordsen, J. J.; Barnes, J.

2017-12-01

B, Li, and halogens (Cl, F, Br) are used extensively in studies of thermal waters to infer fluid equilibrium conditions with the host reservoir lithology, and quantify the possible fraction of a magmatic component in thermal waters. Apart from fluorine, the limited number of minerals that incorporate these elements support the notion that they preferentially partition into an aqueous fluid during high temperature water-rock interaction. Although limited experimental work is largely consistent with these observations, a rigorous experimental investigation is required to quantify the mobility of these elements under conditions emulating a silicic hydrothermal system. Here we present the results from water-rhyolite interaction batch experiments conducted over a range of temperatures between 150 °C and 350 °C and 250 bar. Powdered obsidian from Yellowstone was reacted with MiliQ water and sampled intermittently throughout the duration of the 90 day experiment. The experimental data show that at temperatures ≤ 200 °C, B, Cl, Br, and Li are not readily leached from the rhyolite, whereas aqueous F- concentration increases by a factor of 3.5 when the temperature was increased from 150 °C to 200 °C. Between 200 °C and 250 °C, B concentration increased by more than an order of magnitude and Cl- concentration increased by a factor of 5. F- concentration increased by a factor of 3. Between 250 °C and 300 °C the opposite trend was observed, in which F- concentration decreased by 60%, Br- concentration increased by a factor of 5, and Cl- and B concentrations increased by more than an order of magnitude. The progressive decrease of aqueous F- at T ≥ 300 °C is likely controlled by precipitation into a fluorine bearing secondary mineral(s). Our experimental results demonstrate that leaching of B, Li, Cl, F, and Br from rhyolite is highly temperature-dependent between 150 °C and 350 °C. These results can provide context to infer the sources of solutes discharged at thermal springs and the subsurface water-rhyolite equilibrium temperatures in the Yellowstone hydrothermal system. Work to characterize the alteration mineralogy and the temperature-dependent stable Cl, Li, and B isotope fractionation is currently ongoing. Keywords: Yellowstone, hydrothermal, halogens, experiments, water-rock interaction

Experimental Investigations of Boron, Lithium, and Halogens During High-Temperature Water-Rock Interaction: Insights into the Yellowstone Hydrothermal System

NASA Astrophysics Data System (ADS)

Cullen, J. T.; Hurwitz, S.; Thordsen, J. J.; Barnes, J.

2016-12-01

B, Li, and halogens (Cl, F, Br) are used extensively in studies of thermal waters to infer fluid equilibrium conditions with the host reservoir lithology, and quantify the possible fraction of a magmatic component in thermal waters. Apart from fluorine, the limited number of minerals that incorporate these elements support the notion that they preferentially partition into an aqueous fluid during high temperature water-rock interaction. Although limited experimental work is largely consistent with these observations, a rigorous experimental investigation is required to quantify the mobility of these elements under conditions emulating a silicic hydrothermal system. Here we present the results from water-rhyolite interaction batch experiments conducted over a range of temperatures between 150 °C and 350 °C and 250 bar. Powdered obsidian from Yellowstone was reacted with MiliQ water and sampled intermittently throughout the duration of the 90 day experiment. The experimental data show that at temperatures ≤ 200 °C, B, Cl, Br, and Li are not readily leached from the rhyolite, whereas aqueous F- concentration increases by a factor of 3.5 when the temperature was increased from 150 °C to 200 °C. Between 200 °C and 250 °C, B concentration increased by more than an order of magnitude and Cl- concentration increased by a factor of 5. F- concentration increased by a factor of 3. Between 250 °C and 300 °C the opposite trend was observed, in which F- concentration decreased by 60%, Br- concentration increased by a factor of 5, and Cl- and B concentrations increased by more than an order of magnitude. The progressive decrease of aqueous F- at T ≥ 300 °C is likely controlled by precipitation into a fluorine bearing secondary mineral(s). Our experimental results demonstrate that leaching of B, Li, Cl, F, and Br from rhyolite is highly temperature-dependent between 150 °C and 350 °C. These results can provide context to infer the sources of solutes discharged at thermal springs and the subsurface water-rhyolite equilibrium temperatures in the Yellowstone hydrothermal system. Work to characterize the alteration mineralogy and the temperature-dependent stable Cl, Li, and B isotope fractionation is currently ongoing. Keywords: Yellowstone, hydrothermal, halogens, experiments, water-rock interaction

Experimental fire increases soil carbon dioxide efflux in a grassland long-term multifactor global change experiment.

PubMed

Strong, Aaron L; Johnson, Tera P; Chiariello, Nona R; Field, Christopher B

2017-05-01

Numerous studies have demonstrated that soil respiration rates increase under experimental warming, although the long-term, multiyear dynamics of this feedback are not well constrained. Less is known about the effects of single, punctuated events in combination with other longer-duration anthropogenic influences on the dynamics of soil carbon (C) loss. In 2012 and 2013, we assessed the effects of decadal-scale anthropogenic global change - warming, increased nitrogen (N) deposition, elevated carbon dioxide (CO 2 ), and increased precipitation - on soil respiration rates in an annual-dominated Mediterranean grassland. We also investigated how controlled fire and an artificial wet-up event, in combination with exposure to the longer-duration anthropogenic global change factors, influenced the dynamics of C cycling in this system. Decade-duration surface soil warming (1-2 °C) had no effect on soil respiration rates, while +N addition and elevated CO 2 concentrations increased growing-season soil CO 2 efflux rates by increasing annual aboveground net primary production (NPP) and belowground fine root production, respectively. Low-intensity experimental fire significantly elevated soil CO 2 efflux rates in the next growing season. Based on mixed-effects modeling and structural equation modeling, low-intensity fire increased growing-season soil respiration rates through a combination of three mechanisms: large increases in soil temperature (3-5 °C), significant increases in fine root production, and elevated aboveground NPP. Our study shows that in ecosystems where soil respiration has acclimated to moderate warming, further increases in soil temperature can stimulate greater soil CO 2 efflux. We also demonstrate that punctuated short-duration events such as fire can influence soil C dynamics with implications for both the parameterization of earth system models (ESMs) and the implementation of climate change mitigation policies that involve land-sector C accounting. © 2016 John Wiley & Sons Ltd.

[Study of cubic boron nitride crystal UV absorption spectroscopy].

PubMed

Liu, Hai-Bo; Jia, Gang; Chen, Gang; Meng, Qing-Ju; Zhang, Tie-Chen

2008-07-01

UV absorption spectroscopy of artificial cubic boron nitride (cBN) single crystal flake, synthesized under high-temperature and high-pressure, was studied in the present paper. UV WINLAB spectrometer was used in the experiments, and MOLECULAR SPECTROSCOPY software was used for data analysis. The UV-cBN limit of 198 nm was showed in this test by a special fixture quartz sample. We calculated the energy gap by virtue of the formula: lambda0 = 1.24/E(g) (microm). The energy gap is 6. 26 eV. There are many viewpoints about the gap of cBN. By using the first-principles theory to calculate energy band structure and density of electronic states of cBN, an indirect transition due to electronics in valence band jumping into conduction band by absorbing photon can be confirmed. That leads to UV absorption. The method of calculation was based on the quantum mechanics of CASTEP in the commercial software package of Cerius2 in the Co. Accerlrys in the United States. The theory of CASTEP is based on local density approximation or gradient corrected LDA. The crystal parameter of cBN was input to the quantum mechanics of CASTEP in order to construct the crystal parameter model of cBN. We calculated the energy gap of cBN by the method of gradient corrected LDA. The method underestimates the value of nonconductor by about 1 to 2 eV. We gaot some opinions as follows: cBN is indirect band semiconductor. The energy gap is 4.76 eV, less than our experiment. The reason may be defect that we ignored in calculating process. It was reported that the results by first principles method of calculation of the band generally was less than the experimental results. This paper shows good UV characteristics of cBN because of the good agreement of experimental results with the cBN band width. That is a kind of development prospect of UV photo-electronic devices and high-temperature semiconductor devices.

The Discovery of the Tau Lepton: Part 1, The Early History Through 1975; Part 2, Confirmation of the Discovery and Measurement of Major Properties, 1976--1982

DOE R&D Accomplishments Database

Perl, M. L.

1994-08-01

Several previous papers have given the history of the discovery of the {tau} lepton at the Stanford Linear Accelerator Center (SLAC). These papers emphasized (a) the experiments which led to our 1975 publication of the first evidence for the existence of the {tau}, (b) the subsequent experiments which confirmed the existence of the r, and (c) the experiments which elucidated the major properties of the {tau}. That history will be summarized in Part 2 of this talk. In this Part 1, I describe the earlier thoughts and work of myself and my colleagues at SLAC in the 1960's and early 1970's which led to the discovery. I also describe the theoretical and experimental events in particle physics in the 1960's in which our work was immersed. I will also try to describe for the younger generations of particle physicists, the atmosphere in the 1960's. That was before the elucidation of the quark model of hadrons, before the development of the concept of particle generations The experimental paths to program we hot as clear as they are today and we had to cast a wide experimental net.

Modeling the Reaction of Fe Atoms with CCl4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Camaioni, Donald M.; Ginovska, Bojana; Dupuis, Michel

2009-01-05

The reaction of zero-valent iron with carbon tetrachloride (CCl4) in gas phase was studied using density functional theory. Temperature programmed desorption experiments over a range of Fe and CCl4 coverages on a FeO(111) surface, demonstrate a rich surface chemistry with several reaction products (C2Cl4, C2Cl6, OCCl2, CO, FeCl2, FeCl3) observed. The reactivity of Fe and CCl4 was studied under three stoichiometries, one Fe with one CCl4, one Fe with two CCl4 molecules and two Fe with one CCl4, modeling the environment of the experimental work. The electronic structure calculations give insight into the reactions leading to the experimentally observed productsmore » and suggest that novel Fe-C-Cl containing species are important intermediates in these reactions. The intermediate complexes are formed in highly exothermic reactions, in agreement with the experimentally observed reactivity with the surface at low temperature (30 K). This initial survey of the reactivity of Fe with CCl4 identifies some potential reaction pathways that are important in the effort to use Fe nano-particles to differentiate harmful pathways that lead to the formation of contaminants like chloroform (CHCl3) from harmless pathways that lead to products such as formate (HCO2-) or carbon oxides in water and soil. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.« less

[Visual input affects the expression of the early genes c-Fos and ZENK in auditory telencephalic centers of pied flycatcher nestlings during the acoustically-guided freezing].

PubMed

Korneeva, E V; Tiunova, A A; Aleksandrov, L I; Golubeva, T B; Anokhin, K V

2014-01-01

The present study analyzed expression of transcriptional factors c-Fos and ZENK in 9-day-old pied flycatcher nestlings' (Ficedula hypoleuca) telencephalic auditory centers (field L, caudomedial nidopallium and caudomedial mesopallium) involved in the acoustically-guided defense behavior. Species-typical alarm call was presented to the young in three groups: 1--intact group (sighted control), 2--nestlings visually deprived just before the experiment for a short time (unsighted control) 3--nestlings visually deprived right after hatching (experimental deprivation). Induction of c-Fos as well as ZENK in nestlings from the experimental deprivation group was decreased in both hemispheres as compared with intact group. In the group of unsighted control, only the decrease of c-Fos induction was observed exclusively in the right hemisphere. These findings suggest that limitation of visual input changes the population of neurons involved into the acoustically-guided behavior, the effect being dependant from the duration of deprivation.

On the determination of growth stress during oxidation of pure zirconium at elevated temperature

NASA Astrophysics Data System (ADS)

Kurpaska, L.; Favergeon, J.; Lahoche, L.; Moulin, G.

2018-07-01

An experimental approach have been proposed to evaluate growth of stress during high temperature oxidation of pure zirconium. The development of stress in the oxide scale has been investigated experimentally in in-situ conditions by combining the Deflection Test in Monofacial Oxidation (DTMO) with Acoustic Emission analysis (AE). Microstructure of the sample were studied by using Scanning Electron Microscopy technique. Oxidation experiments were performed continuously during 24 h at 400 °C and 500 °C in air under normal atmospheric pressure. Taking into account purely elastic behaviour of the material, primary evolution of growth stress developed in the oxide scale during oxidation process have been estimated. Presented study of the Zr/ZrO2 system revealed two opposite phenomena of stress relief when cooling from 400 °C and 500 °C to room temperature. This study is presented as a tool to understand the phenomena of stress evolution in the zirconia layer during isothermal treatment at high temperature and after cooling.

A comparative study of the constitutive models for silicon carbide

NASA Astrophysics Data System (ADS)

Ding, Jow-Lian; Dwivedi, Sunil; Gupta, Yogendra

2001-06-01

Most of the constitutive models for polycrystalline silicon carbide were developed and evaluated using data from either normal plate impact or Hopkinson bar experiments. At ISP, extensive efforts have been made to gain detailed insight into the shocked state of the silicon carbide (SiC) using innovative experimental methods, viz., lateral stress measurements, in-material unloading measurements, and combined compression shear experiments. The data obtained from these experiments provide some unique information for both developing and evaluating material models. In this study, these data for SiC were first used to evaluate some of the existing models to identify their strength and possible deficiencies. Motivated by both the results of this comparative study and the experimental observations, an improved phenomenological model was developed. The model incorporates pressure dependence of strength, rate sensitivity, damage evolution under both tension and compression, pressure confinement effect on damage evolution, stiffness degradation due to damage, and pressure dependence of stiffness. The model developments are able to capture most of the material features observed experimentally, but more work is needed to better match the experimental data quantitatively.

Monte Carlo analysis of a time-dependent neutron and secondary gamma-ray integral experiment on a thick concrete and steel shield

NASA Astrophysics Data System (ADS)

Cramer, S. N.; Roussin, R. W.

1981-11-01

A Monte Carlo analysis of a time-dependent neutron and secondary gamma-ray integral experiment on a thick concrete and steel shield is presented. The energy range covered in the analysis is 15-2 MeV for neutron source energies. The multigroup MORSE code was used with the VITAMIN C 171-36 neutron-gamma-ray cross-section data set. Both neutron and gamma-ray count rates and unfolded energy spectra are presented and compared, with good general agreement, with experimental results.

Effect of temperature on the acid-base properties of the alumina surface: microcalorimetry and acid-base titration experiments.

PubMed

Morel, Jean-Pierre; Marmier, Nicolas; Hurel, Charlotte; Morel-Desrosiers, Nicole

2006-06-15

Sorption reactions on natural or synthetic materials that can attenuate the migration of pollutants in the geosphere could be affected by temperature variations. Nevertheless, most of the theoretical models describing sorption reactions are at 25 degrees C. To check these models at different temperatures, experimental data such as the enthalpies of sorption are thus required. Highly sensitive microcalorimeters can now be used to determine the heat effects accompanying the sorption of radionuclides on oxide-water interfaces, but enthalpies of sorption cannot be extracted from microcalorimetric data without a clear knowledge of the thermodynamics of protonation and deprotonation of the oxide surface. However, the values reported in the literature show large discrepancies and one must conclude that, amazingly, this fundamental problem of proton binding is not yet resolved. We have thus undertaken to measure by titration microcalorimetry the heat effects accompanying proton exchange at the alumina-water interface at 25 degrees C. Based on (i) the surface sites speciation provided by a surface complexation model (built from acid-base titrations at 25 degrees C) and (ii) results of the microcalorimetric experiments, calculations have been made to extract the enthalpic variations associated respectively to first and second deprotonation of the alumina surface. Values obtained are deltaH1 = 80+/-10 kJ mol(-1) and deltaH2 = 5+/-3 kJ mol(-1). In a second step, these enthalpy values were used to calculate the alumina surface acidity constants at 50 degrees C via the van't Hoff equation. Then a theoretical titration curve at 50 degrees C was calculated and compared to the experimental alumina surface titration curve. Good agreement between the predicted acid-base titration curve and the experimental one was observed.

Transition from Gaseous Compounds to Aerosols in Titan's Atmosphere

NASA Technical Reports Server (NTRS)

Lebonnois, Sebastien; Bakes, E. L. O.; McKay, Christopher P.; DeVincenzi, Donald (Technical Monitor)

2002-01-01

We investigate the chemical transition of simple molecules like C2H2 and HCN into aerosol particles in the context of Titan's atmosphere. Experiments that synthesize analogs (tholins) for these aerosols can help understand and constrain these polymerization mechanisms. Using information available from these experiments, we suggest chemical pathways that can link simple molecules to macromolecules, that will be the precursors to aerosol particles: polymers of acetylene and cyanoacetylene, polycyclic aromatics (PAHs), polymers of HCN and other nitriles, and polynes. Although our goal here is not to build a detailed kinetic model for this transition, we propose parameterizations to estimate the production rates of these macromolecules, their C/N and C/H ratios, and the loss of parent molecules (C2H2, HCN, HC3N and other nitriles, C6H6) from the gas phase to the haze. We use a 1-dimensional photochemical model of Titan's atmosphere to estimate the formation rate of precursors macromolecules. We find a production zone slightly lower than 200 km altitude with a total production rate of 4 x 10(exp -14) g/ sq cm s and a C/N approx. = 4. These results are compared with experimental data, and to microphysical models requirements. The Cassini/Huygens mission will bring a detailed picture of the haze distribution and properties, that will be a great challenge for our understanding of those chemical processes.

Using a videogame to facilitate nursing and medical students' first visit to the operating theatre. A randomized controlled trial.

PubMed

Del Blanco, Ángel; Torrente, Javier; Fernández-Manjón, Baltasar; Ruiz, Pedro; Giner, Manuel

2017-08-01

First experiences in the operating theatre with real patients are always stressful and intimidating for students. We hypothesized that a game-like simulation could improve perceptions and performance of novices. A videogame was developed, combining pictures and short videos, by which students are interactively instructed on acting at the surgical block. Moreover, the game includes detailed descriptive information. After playing, students are given feedback on their performance. A randomized controlled trial was conducted with 132 nursing and medical students with no previous experience in surgery. Sixty two (47.0%) were allocated to a control group (CG) and 70 (53.0%) to an experimental group (EG). Subjects in EG played the game the day prior to their first experience in the theatre; CG had no access to the application. On the day after their experience at surgery, all students filled in a questionnaire in a 7-point Likert format collecting subjective data about their experience in the surgical block. Four constructs related to students' feelings, emotions and attitudes were measured through self-reported subjective scales, i.e. C1: fear to make mistakes, C2: perceived knowledge on how to behave, C3: perceived errors committed, and C4: attitude/behaviour towards patients and staff. The main research question was formulated as follows: do students show differences in constructs C1-C4 by exposure to the game? EG reported statistically significant higher scores on the four aspects measured than CG (p<0.05; Mann-Whitney U tests; Cohen's d standardized effect size d1=0.30; d2=1.05; d3=0.39; d4=0.49). Results show clear evidence that the exposure to the game-like simulation had a significant positive effect on all the constructs. After their first visit to the theatre, students in EG showed less fear (C1) and also perceived to have committed fewer errors (C3), while they showed higher perceived knowledge (C2) and a more collaborative attitude (C4). Copyright © 2017 Elsevier Ltd. All rights reserved.

High-temperature oxidation chemistry of n-butanol--experiments in low-pressure premixed flames and detailed kinetic modeling.

PubMed

Hansen, N; Harper, M R; Green, W H

2011-12-07

An automated reaction mechanism generator is used to develop a predictive, comprehensive reaction mechanism for the high-temperature oxidation chemistry of n-butanol. This new kinetic model is an advancement of an earlier model, which had been extensively tested against earlier experimental data (Harper et al., Combust. Flame, 2011, 158, 16-41). In this study, the model's predictive capabilities are improved by targeting isomer-resolved quantitative mole fraction profiles of flame species in low-pressure flames. To this end, a total of three burner-stabilized premixed flames are isomer-selectively analyzed by flame-sampling molecular-beam time-of-flight mass spectrometry using photoionization by tunable vacuum-ultraviolet synchrotron radiation. For most species, the newly developed chemical kinetic model is capable of accurately reproducing the experimental trends in these flames. The results clearly indicate that n-butanol is mainly consumed by H-atom abstraction with H, O, and OH, forming predominantly the α-C(4)H(9)O radical (CH(3)CH(2)CH(2)˙CHOH). Fission of C-C bonds in n-butanol is only predicted to be significant in a similar, but hotter flame studied by Oßwald et al. (Combust. Flame, 2011, 158, 2-15). The water-elimination reaction to 1-butene is found to be of no importance under the premixed conditions studied here. The initially formed isomeric C(4)H(9)O radicals are predicted to further oxidize by reacting with H and O(2) or to decompose to smaller fragments via β-scission. Enols are detected experimentally, with their importance being overpredicted by the model.

Poster 4: Investigating the first steps of hydrocarbon condensation in the laboratory and in Titan's atmosphere

NASA Astrophysics Data System (ADS)

Biennier, Ludovic; Bourgalais, Jeremy; Benidar, Abdessamad; Le Picard, Sebastien

2016-06-01

Hydrocarbons formed in Titan's cold atmosphere, starting with ethane C2H6, ethylene C2H4, acetylene C2H2, propane C3H8,... up to benzene C6H6, play some role in aerosol production, cloud processes, rain generation and Titan's lakes formation. We have started to study in the laboratory the kinetics of the first steps of condensation of these hydrocarbons. Rate coefficients are very sensitive to the description of the potential interaction surfaces of the molecules involved. Combined theoretical and experimental studies at the molecular level of the homogenous nucleation of various small molecules should improve greatly our fundamental understanding. This knowledge will serve as a model for studying more complex nucleation processes actually taking places in planetary atmospheres. Here we present the first experimental kinetic study of the dimerization of two small hydrocarbons: ethane C2H6 and propane C3H8. We have performed experiments to identify the temperature and partial densities ranges over which small hydrocarbon clusters form in saturated uniform supersonic flows. Using our unique reactor based on a Laval nozzle expansions, the kinetics of the formation has also been investigated down to 23 K. The chemical species present in the reactor are probed by a time of flight mass spectrometer equipped with an electron gun for soft ionization of the neutral reagents and products. This work aims at putting some constraints on the role of small hydrocarbon condensation in the formation of haze particles in the dense atmosphere of Titan.

Microclimatic Performance of a Free-Air Warming and CO2 Enrichment Experiment in Windy Wyoming, USA

PubMed Central

LeCain, Daniel; Smith, David; Morgan, Jack; Kimball, Bruce A.; Pendall, Elise; Miglietta, Franco

2015-01-01

In order to plan for global changing climate experiments are being conducted in many countries, but few have monitored the effects of the climate change treatments (warming, elevated CO2) on the experimental plot microclimate. During three years of an eight year study with year-round feedback-controlled infra-red heater warming (1.5/3.0°C day/night) and growing season free-air CO2 enrichment (600 ppm) in the mixed-grass prairie of Wyoming, USA, we monitored soil, leaf, canopy-air, above-canopy-air temperatures and relative humidity of control and treated experimental plots and evaluated ecologically important temperature differentials. Leaves were warmed somewhat less than the target settings (1.1 & 1.5°C day/night) but soil was warmed more creating an average that matched the target settings extremely well both during the day and night plus the summer and winter. The site typically has about 50% bare or litter covered soil, therefore soil heat transfer is more critical than in dense canopy ecosystems. The Wyoming site commonly has strong winds (5 ms-1 average) and significant daily and seasonal temperature fluctuations (as much as 30°C daily) but the warming system was nearly always able to maintain the set temperatures regardless of abiotic variation. The within canopy-air was only slightly warmed and above canopy-air was not warmed by the system, therefore convective warming was minor. Elevated CO2 had no direct effect nor interaction with the warming treatment on microclimate. Relative humidity within the plant canopy was only slightly reduced by warming. Soil water content was reduced by warming but increased by elevated CO2. This study demonstrates the importance of monitoring the microclimate in manipulative field global change experiments so that critical physiological and ecological conclusions can be determined. Highly variable energy demand fluctuations showed that passive IR heater warming systems will not maintain desired warming for much of the time. PMID:25658313

Comparison between firing tests and numerical simulation of vortex shedding in a 2-D test solid motor

NASA Astrophysics Data System (ADS)

Lupoglazoff, N.; Vuillot, F.

Some comparisons between firing tests and numerical simulations of vortex shedding via a simple test case called 'C1experimental' are presented. These experiments are performed to validate further numerical simulations, as well as to serve as a tool for facilitating interpretation. At ignition time, spectra of pressure are more complex: it is the effect of vortex pairings. For 6.5-mm burnt, the second longitudinal mode dominates. For 8-mm burnt, the first longitudinal mode dominates. For 11.5-mm burnt, there is only the first longitudinal mode, with a slight shift of the frequency value. Tables are presented which give the pressure oscillation amplitudes of 'C1experimental' with operating pressures, and these amplitudes relative to the corresponding operating pressure.

Limits on Spin-Dependent WIMP-Nucleon Cross Section Obtained from the Complete LUX Exposure

NASA Astrophysics Data System (ADS)

Akerib, D. S.; Alsum, S.; Araújo, H. M.; Bai, X.; Bailey, A. J.; Balajthy, J.; Beltrame, P.; Bernard, E. P.; Bernstein, A.; Biesiadzinski, T. P.; Boulton, E. M.; Brás, P.; Byram, D.; Cahn, S. B.; Carmona-Benitez, M. C.; Chan, C.; Chiller, A. A.; Chiller, C.; Currie, A.; Cutter, J. E.; Davison, T. J. R.; Dobi, A.; Dobson, J. E. Y.; Druszkiewicz, E.; Edwards, B. N.; Faham, C. H.; Fallon, S. R.; Fiorucci, S.; Gaitskell, R. J.; Gehman, V. M.; Ghag, C.; Gilchriese, M. G. D.; Hall, C. R.; Hanhardt, M.; Haselschwardt, S. J.; Hertel, S. A.; Hogan, D. P.; Horn, M.; Huang, D. Q.; Ignarra, C. M.; Jacobsen, R. G.; Ji, W.; Kamdin, K.; Kazkaz, K.; Khaitan, D.; Knoche, R.; Larsen, N. A.; Lee, C.; Lenardo, B. G.; Lesko, K. T.; Lindote, A.; Lopes, M. I.; Manalaysay, A.; Mannino, R. L.; Marzioni, M. F.; McKinsey, D. N.; Mei, D.-M.; Mock, J.; Moongweluwan, M.; Morad, J. A.; Murphy, A. St. J.; Nehrkorn, C.; Nelson, H. N.; Neves, F.; O'Sullivan, K.; Oliver-Mallory, K. C.; Palladino, K. J.; Pease, E. K.; Reichhart, L.; Rhyne, C.; Shaw, S.; Shutt, T. A.; Silva, C.; Solmaz, M.; Solovov, V. N.; Sorensen, P.; Stephenson, S.; Sumner, T. J.; Szydagis, M.; Taylor, D. J.; Taylor, W. C.; Tennyson, B. P.; Terman, P. A.; Tiedt, D. R.; To, W. H.; Tripathi, M.; Tvrznikova, L.; Uvarov, S.; Velan, V.; Verbus, J. R.; Webb, R. C.; White, J. T.; Whitis, T. J.; Witherell, M. S.; Wolfs, F. L. H.; Xu, J.; Yazdani, K.; Young, S. K.; Zhang, C.; LUX Collaboration

2017-06-01

We present experimental constraints on the spin-dependent WIMP-nucleon elastic cross sections from the total 129.5 kg yr exposure acquired by the Large Underground Xenon experiment (LUX), operating at the Sanford Underground Research Facility in Lead, South Dakota (USA). A profile likelihood ratio analysis allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σn=1.6 ×10-41 cm2 (σp=5 ×10-40 cm2 ) at 35 GeV c-2 , almost a sixfold improvement over the previous LUX spin-dependent results. The spin-dependent WIMP-neutron limit is the most sensitive constraint to date.

SE83-9 "Chix in Space" student experimenter monitors STS-29 onboard activity

NASA Image and Video Library

1989-03-18

STS029-S-047 (16 Mar 1989) --- Student experimenter John C. Vellinger, right, watches a TV monitor in the customer support room of Johnson Space Center's mission control center during a downlink from the spacecraft of astronaut John E. Blaha conducting the experiment in the incubator used for the test. The experiment is titled "Chicken Embryo Development in Space." Also visible are Neil Criestie and Robert N. Stuckey of JSC. The experiment's sponsor is Kentucky Fried Chicken.

Nectar yeasts warm the flowers of a winter-blooming plant

PubMed Central

Herrera, Carlos M.; Pozo, María I.

2010-01-01

Yeasts are ubiquitous in terrestrial and aquatic microbiota, yet their ecological functionality remains relatively unexplored in comparison with other micro-organisms. This paper formulates and tests the novel hypothesis that heat produced by the sugar catabolism of yeast populations inhabiting floral nectar can increase the temperature of floral nectar and, more generally, modify the within-flower thermal microenvironment. Two field experiments were designed to test this hypothesis for the winter-blooming herb Helleborus foetidus (Ranunculaceae). In experiment 1, the effect of yeasts on the within-flower thermal environment was tested by excluding them from flowers, while in experiment 2 the test involved artificial inoculation of virgin flowers with yeasts. Nectary temperature (Tnect), within-flower air temperature (Tflow) and external air temperature (Tair) were measured on experimental and control flowers in both experiments. Experimental exclusion of yeasts from the nectaries significantly reduced, and experimental addition of yeasts significantly increased, the temperature excess of nectaries (ΔTnect = Tnect − Tair) and the air space inside flowers in relation to the air just outside the flowers. In non-experimental flowers exposed to natural pollinator visitation, ΔTnect was linearly related to log yeast cell density in nectar, and reached +6°C in nectaries with the densest yeast populations. The warming effect of nectar-dwelling yeasts documented in this study suggests novel ecological mechanisms potentially linking nectarivorous microbes with winter-blooming plants and their insect pollinators. PMID:20147331

Using experimental petrology to constrain genesis of wet, silicic magmas in the Tonga-Kermadec island arc

NASA Astrophysics Data System (ADS)

Brens, R.; Rushmer, T. A.; Turner, S.; Adam, J.

2012-12-01

The Tongan arc system is comprised of a pair of island chains, where the western chain is the active volcanic arc. A range of rock suites, from basaltic andesites (53-56% SiO2) to dacites (64-66% SiO2), has been recovered from Late, Tofua and Fonualei in the Tonga-Kermadec primitive island arc system. For which the question arises: What is the mechanism that allows for silicic magmas to develop in a primitive island arc system? Caufield et al. (2012) suggest that fractional crystallization of a multi magma chamber process, with varying depth, is responsible for the silicic magma generation in this arc. Models such as this one have been proposed and experimentally tested in other systems (Novarupta, Alaska) to explain the origin of these silicic rocks. Our Tongan suite of rocks has had a full geochemical analysis for majors, traces and isotopes. The lavas from Tofua and Late are Fe-rich and have low concentrations of K, Rb, Ba, Zr, REE, Pb and U. However, experimental studies are needed to complement the extensive geochemical analysis done on the Tongan arc. Former geochemical work done on the igneous rocks from both of these volcanic suites from this arc suggests that the source of these rocks extend from 1.5-5.5 km in depth (Caulfield et al., 2012). Here, we present an experimental study of the phase equilibria on a natural andesitic sample (Late 1, from Ewart et al., 1975) from the island of Late. Experiments were run using the temperature constraints between 900 to 1220oC, pressure from 5 to 25 kbars and H2O addition of mostly 5wt% (but some results were obtained at 2wt% in the rocks). In the presence of 5 wt% water, phase equilibria of these experiments show the garnet stability field at >10 kb for 900 oC and increases with increasing temperature, while plagioclase enters at lower pressures when garnet exits. Experimental results currently suggests, at lower temperatures (900-950oC), a fractional crystallization relationship due to shallow level pressures of these rocks and further reinforcing Brophy's (2009) model of crystal fractionation of basalt to dacite in the presence of water, as an important process for which silica-rich magmas are produced within a primitive oceanic island arc.

­­­Experimental Quantifications of Radiation Damage Annealing and Helium Diffusion Kinetics in Apatite

NASA Astrophysics Data System (ADS)

Willett, C. D.; Shuster, D. L.

2017-12-01

(U-Th)/He thermochronology in apatite requires a quantitative description of He diffusivity as a function of temperature and through geologic time. Although variability in diffusion kinetics across a range of natural apatite samples has revealed that higher concentrations of alpha-recoil radiation damage correlates with lower He diffusivity (i.e., at a given temperature, [1]), only one published study has experimentally quantified the effects of annealing for a single apatite specimen (Durango apatite, [2]). Although these effects have been incorporated into now widely applied numerical models, underlying assumptions in these models—in particular, that He diffusivity in all apatite crystals responds with the same rate of damage annealing—have been called into question, and further evaluation is warranted (e.g., [3], [4]). Here, we will describe a suite of experiments conducted on apatite from a single hand sample of granite from Sierra Nevada, CA as well as Durango apatite, to establish whether these two apatites with different chemical compositions and thermal pasts exhibit the same response to annealing conditions. Crystals from both samples were heated under vacuum to temperatures between 220 and 500 °C for 1, 10, 100 or 1000 hours. The samples were then irradiated with 220 MeV protons to produce spallation 3He, the diffusant used in subsequent step-heating degassing experiments. Our preliminary results indicate different minima in closure temperatures of 55 oC and 65 oC for the Durango and Sierra apatite, respectively, when exposed to sufficiently high temperatures (>350 oC) for durations > 1 hour, yet similar transitions from low diffusivities at T <200 oC (and higher activation energy, Ea) to higher diffusivity (lower Ea) across a range of experimental annealing temperatures and durations. We will interpret these results with a new model framework for describing the effects of annealing on diffusivity, and will discuss potential implications of our experimental results, the required assumptions in our analyses, and potential limitations of such empirical quantifications. References: [1] Shuster, D. et al. (2006), EPSL 294, 148-161; [2] Shuster, D., Farley, K. (2009), GCA 73 (1), 6183-6196; [3] Gautheron, C. et al. (2013), Chem. Geol. 351, 257-267; [4] Fox, M., Shuster, D. (2014), EPSL 397, 174-183.

Increase in soil stable carbon isotope ratio relates to loss of organic carbon: results from five long-term bare fallow experiments.

PubMed

Menichetti, Lorenzo; Houot, Sabine; van Oort, Folkert; Kätterer, Thomas; Christensen, Bent T; Chenu, Claire; Barré, Pierre; Vasilyeva, Nadezda A; Ekblad, Alf

2015-03-01

Changes in the (12)C/(13)C ratio (expressed as δ(13)C) of soil organic C (SOC) has been observed over long time scales and with depth in soil profiles. The changes are ascribed to the different reaction kinetics of (12)C and (13)C isotopes and the different isotopic composition of various SOC pool components. However, experimental verification of the subtle isotopic shifts associated with SOC turnover under field conditions is scarce. We determined δ(13)C and SOC in soil sampled during 1929-2009 in the Ap-horizon of five European long-term bare fallow experiments kept without C inputs for 27-80 years and covering a latitudinal range of 11°. The bare fallow soils lost 33-65% of their initial SOC content and showed a mean annual δ(13)C increase of 0.008-0.024‰. The (13)C enrichment could be related empirically to SOC losses by a Rayleigh distillation equation. A more complex mechanistic relationship was also examined. The overall estimate of the fractionation coefficient (ε) was -1.2 ± 0.3‰. This coefficient represents an important input to studies of long-term SOC dynamics in agricultural soils that are based on variations in (13)C natural abundance. The variance of ε may be ascribed to site characteristics not disclosed in our study, but the very similar kinetics measured across our five experimental sites suggest that overall site-specific factors (including climate) had a marginal influence and that it may be possible to isolate a general mechanism causing the enrichment, although pre-fallow land use may have some impact on isotope abundance and fractionation.

Compact NE213 neutron spectrometer with high energy resolution for fusion applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zimbal, A.; Reginatto, M.; Schuhmacher, H.

Neutron spectrometry is a tool for obtaining important information on the fuel ion composition, velocity distribution and temperature of fusion plasmas. A compact NE213 liquid scintillator, fully characterized at Physikalisch-Technische Bundesanstalt, was installed and operated at the Joint European Torus (JET) during two experimental campaigns (C8-2002 and trace tritium experiment-TTE 2003). The results show that this system can operate in a real fusion experiment as a neutron (1.5 MeV

Microbially mediated alteration of crystalline basalts as identified from analogical reactive percolation experiments

NASA Astrophysics Data System (ADS)

Moore, Rachael; Ménez, Bénédicte; Stéphant, Sylvian; Dupraz, Sébastien; Ranchou-Peyruse, Magali; Ranchou-Peyruse, Anthony; Gérard, Emmanuelle

2017-04-01

Alteration in the ocean crust through fluid circulation is an ongoing process affecting the first kilometers and at low temperatures some alteration may be microbially mediated. Hydrothermal activity through the hard rock basement supports diverse microbial communities within the rock by providing nutrient and energy sources. Currently, the impact of basement hosted microbial communities on alteration is poorly understood. In order to identify and quantify the nature of microbially mediated alteration two reactive percolation experiments mimicking circulation of CO2 enriched ground water were performed at 35 °C and 30 bar for 21 days each. The experiments were performed using a crystalline basalt substrate from an earlier drilled deep Icelandic aquifer. One experiment was conducted on sterile rock while the other was conducted with the addition of a microbial inoculate derived from groundwater enrichment cultures obtained from the same aquifer. µCT on the experimental basaltic substrate before and after the reactive percolation experiment along with synchrotron radiation x-ray tomographic microscopy and the mineralogical characterization of resulting material allows for the comparative volumetric quantification of dissolution and precipitation. The unique design of this experiment allows for the identification of alteration which occurs solely abiotically and of microbially mediated alteration. Experimental results are compared to natural basaltic cores from Iceland retrieved following a large field CO2 injection experiment that stimulated microbial activity at depth.

Coherent structures in interacting vortex rings

NASA Astrophysics Data System (ADS)

Deng, Jian; Xue, Jingyu; Mao, Xuerui; Caulfield, C. P.

2017-02-01

We investigate experimentally the nonlinear structures that develop from interacting vortex rings induced by a sinusoidally oscillating ellipsoidal disk in fluid at rest. We vary the scaled amplitude or Keulegan-Carpenter number 0.3

Probing magnetic order in CuFeO2 through nuclear forward scattering in high magnetic fields

NASA Astrophysics Data System (ADS)

Strohm, C.; Lummen, T. T. A.; Handayani, I. P.; Roth, T.; Detlefs, C.; van der Linden, P. J. E. M.; van Loosdrecht, P. H. M.

2013-08-01

Determining the magnetic order of solids in high magnetic fields is technologically challenging. Here we probe the cascade of magnetic phase transitions in frustrated multiferroic CuFeO2 using nuclear forward scattering (NFS) in pulsed magnetic fields up to 30 T. Our results are in excellent agreement with detailed neutron diffraction experiments, currently limited to 15 T, while providing experimental confirmation of the proposed higher field phases for both H∥c and H⊥c. We thus establish NFS as a valuable tool for spin structure studies in very high fields, both complementing and expanding on the applicability of existing techniques.

Key Process Uncertainties in Soil Carbon Dynamics: Comparing Multiple Model Structures and Observational Meta-analysis

NASA Astrophysics Data System (ADS)

Sulman, B. N.; Moore, J.; Averill, C.; Abramoff, R. Z.; Bradford, M.; Classen, A. T.; Hartman, M. D.; Kivlin, S. N.; Luo, Y.; Mayes, M. A.; Morrison, E. W.; Riley, W. J.; Salazar, A.; Schimel, J.; Sridhar, B.; Tang, J.; Wang, G.; Wieder, W. R.

2016-12-01

Soil carbon (C) dynamics are crucial to understanding and predicting C cycle responses to global change and soil C modeling is a key tool for understanding these dynamics. While first order model structures have historically dominated this area, a recent proliferation of alternative model structures representing different assumptions about microbial activity and mineral protection is providing new opportunities to explore process uncertainties related to soil C dynamics. We conducted idealized simulations of soil C responses to warming and litter addition using models from five research groups that incorporated different sets of assumptions about processes governing soil C decomposition and stabilization. We conducted a meta-analysis of published warming and C addition experiments for comparison with simulations. Assumptions related to mineral protection and microbial dynamics drove strong differences among models. In response to C additions, some models predicted long-term C accumulation while others predicted transient increases that were counteracted by accelerating decomposition. In experimental manipulations, doubling litter addition did not change soil C stocks in studies spanning as long as two decades. This result agreed with simulations from models with strong microbial growth responses and limited mineral sorption capacity. In observations, warming initially drove soil C loss via increased CO2 production, but in some studies soil C rebounded and increased over decadal time scales. In contrast, all models predicted sustained C losses under warming. The disagreement with experimental results could be explained by physiological or community-level acclimation, or by warming-related changes in plant growth. In addition to the role of microbial activity, assumptions related to mineral sorption and protected C played a key role in driving long-term model responses. In general, simulations were similar in their initial responses to perturbations but diverged over decadal time scales. This suggests that more long-term soil experiments may be necessary to resolve important process uncertainties related to soil C storage. We also suggest future experiments examine how microbial activity responds to warming under a range of soil clay contents and in concert with changes in litter inputs.

Improvement of parameters of freezing medium and freezing protocol for bull sperm using two osmotic supports.

PubMed

Chaveiro, A; Machado, L; Frijters, A; Engel, B; Woelders, H

2006-06-01

The aim of this study was to improve the freezing protocol of bull sperm, by investigating the influence on sperm viability after freeze/thawing of different freezing medium components, as well as the effect of cooling rates in the different stages of the cooling protocol, in single factor experiments. The experimental variables were: (1) salt-based versus a sugar-based medium (Tris versus sucrose); (2) glycerol concentration; (3) detergent (Equex) concentration; (4) presence of bicarbonate; (5) rate of cooling from 22 degrees C to holding temperature (CR1); (6) holding temperature (HT); (7) rate of cooling from holding temperature to -6 degrees C (CR2); (8) rate of cooling from -10 to -100 degrees C (CR3). All experiments were performed using five bulls per experiment (three ejaculates per bull). Sperm motility after freezing and thawing was assessed by CASA system, and sperm membrane integrity was assessed by flow cytometry. Sucrose-based medium did not offer a clear significant benefit compared to Tris medium. The concentration of Equex that gave the best results in Tris-based media group and sucrose-based media group was in a range between 2-7 and 4-7 g/l, respectively. In both media groups, a glycerol concentration of 800 mM was the best in any post-thaw viability parameters. In the Tris media group, the presence of bicarbonate had a negative effect on sperm viability. CR1 and CR2 had no significant effect on any of the post-thaw sperm viability parameters, but a CR1=0.2 degrees C/min and CR2=4 degrees C/min appeared to give better results in both media. The holding temperature (HT) that gave the best results was found to be in the range of 5-9 degrees C. There was a significant disadvantage of using a low CR3 of 10 degrees C/min, while 150 degrees C/min appeared to be the best cooling rate for either medium.

Benzophenone based fluorophore for selective detection of Sn2+ ion: Experimental and theoretical study.

PubMed

Jadhav, Amol G; Shinde, Suvidha S; Lanke, Sandip K; Sekar, Nagaiyan

2017-03-05

Synthesis of novel benzophenone-based chemosensor is presented for the selective sensing of Sn 2+ ion. Screening of competitive metal ions was performed by competitive experiments. The specific cation recognition ability of chemosensor towards Sn 2+ was investigated by experimental (UV-visible, fluorescence spectroscopy, 1 H NMR, 13 C NMR, FTIR and HRMS) methods and further supported by Density Functional Theory study. The stoichiometric binding ratio and binding constant (K a ) for complex is found to be 1:1 and 1.50×10 4 , respectively. The detection limit of Sn 2+ towards chemosensor was found to be 0.3898ppb. Specific selectivity and superiority of chemosensor over another recently reported chemosensor is presented. Copyright © 2016 Elsevier B.V. All rights reserved.

Critical role of ATP-induced ATP release for Ca2+ signaling in nonsensory cell networks of the developing cochlea

PubMed Central

Ceriani, Federico; Pozzan, Tullio; Mammano, Fabio

2016-01-01

Spatially and temporally coordinated variations of the cytosolic free calcium concentration ([Ca2+]c) play a crucial role in a variety of tissues. In the developing sensory epithelium of the mammalian cochlea, elevation of extracellular adenosine trisphosphate concentration ([ATP]e) triggers [Ca2+]c oscillations and propagation of intercellular inositol 1,4,5-trisphosphate (IP3)-dependent Ca2+ waves. What remains uncertain is the relative contribution of gap junction channels and connexin hemichannels to these fundamental mechanisms, defects in which impair hearing acquisition. Another related open question is whether [Ca2+]c oscillations require oscillations of the cytosolic IP3 concentration ([IP3]c) in this system. To address these issues, we performed Ca2+ imaging experiments in the lesser epithelial ridge of the mouse cochlea around postnatal day 5 and constructed a computational model in quantitative adherence to experimental data. Our results indicate that [Ca2+]c oscillations are governed by Hopf-type bifurcations within the experimental range of [ATP]e and do not require [IP3]c oscillations. The model replicates accurately the spatial extent and propagation speed of intercellular Ca2+ waves and predicts that ATP-induced ATP release is the primary mechanism underlying intercellular propagation of Ca2+ signals. The model also uncovers a discontinuous transition from propagating regimes (intercellular Ca2+ wave speed > 11 μm⋅s−1) to propagation failure (speed = 0), which occurs upon lowering the maximal ATP release rate below a minimal threshold value. The approach presented here overcomes major limitations due to lack of specific connexin channel inhibitors and can be extended to other coupled cellular systems. PMID:27807138

The diffusion of water in haploanesite

NASA Astrophysics Data System (ADS)

Ni, H.; Zhang, Y.

2008-12-01

Diffusive transport of water in silicate melts is a key process in magma dynamics and volcanic eruptions, including bubble growth. Previous studies demonstrate that in additional to temperature, water content and pressure, melt composition also plays an important role in determining water diffusivity. We carried out high temperature (1311-1512°C) diffusion-couple experiments and intermediate temperature (470- 600°C) dehydration experiments to investigate H2O diffusion in a melt of haploandesitic composition. The diffusion couple is composed of an anhydrous (with <0.1 wt.% H2O) and a hydrous (with 2 wt.% H2O) haploandesitic glass. A platinum capsule is used to contain the couple and then it is welded shut. Diffusion runs are carried out in a 12.7-mm piston-cylinder apparatus at 1 GPa and superliquidus temperatures of 1584-1785 K. Infrared microscopy is applied on quenched glass to measure the profile of total H2O concentration (H2Ot). The profile shape is best fit by an error function, indicating an H2O diffusivity virtually independent of H2O concentration, consistent with the results of Behrens et al. (2004) on an Fe-bearing andesite. Dehydration experiments are performed at 743-873 K in a rapid-quench cold-seal vessel, with a heated hydrous glass losing water to 0.1 GPa Ar atmosphere. Measured diffusion profiles, however, show that water diffusivity is dependent on water content. Experimental data can be explained by H2Om being the dominating diffusant or a total H2O diffusivity proportional to total H2O content. The distinction between the high-temperature experiments where H2Ot diffusivity is apparently independent of H2Ot content, and the intermediate-temperature experiments where H2Ot diffusivity depends on H2Ot can be rationalized if OH diffusion has a higher activation energy than molecular H2O diffusion, and their comparable diffusivities at high T gradually diverge as temperature is lowered. At below 1 wt.% H2O, water diffusivity increases from rhyolite to dacite to andesite at >1300°C, and this sequence is reversed at <600°C.

Experimental observation of magnetoelectricity in spin ice Dy 2Ti 2O 7

DOE PAGES

Lin, L.; Xie, Y. L.; Wen, J. -J.; ...

2015-12-14

The intrinsic noncollinear spin patterns in rare-earth pyrochlore are physically interesting, due to their many emergent properties (e.g., spin-ice and monopole-type excitation). Recent works have suggested that the magnetic monopole excitation of spin-ice systems is magnetoelectric active, but this fact has rarely been confirmed via experiment. In this work, we performed a systematic experimental investigation on the magnetoelectricity of Dy 2Ti 2O 7 by probing the ferroelectricity, spin dynamics, and dielectric behaviors. Two ferroelectric transitions at T c1 = 25 K and T c2 =13 K were observed. Remarkable magnetoelectric coupling was identified below the lower transition temperature, with significantmore » suppression of the electric polarization on applied magnetic field. Our results show that the lower ferroelectric transition temperature coincides with the Ising-spin paramagnetic transition point, below which the quasi-particle-like monopoles are populated, which indicates implicit correlation between electric dipoles and spin moments. The possible magnetoelectric mechanisms are discussed. Our findings can be used for more investigations to explore multiferroicity in these spin-ice systems and other frustrated magnets.« less

Structure, vibrational spectrum, and ring puckering barrier of cyclobutane.

PubMed

Blake, Thomas A; Xantheas, Sotiris S

2006-09-07

We present the results of high level ab initio calculations for the structure, harmonic and anharmonic spectroscopic constants, and ring puckering barrier of cyclobutane (C4H8) in an effort to establish the minimum theoretical requirements needed for their accurate description. We have found that accurate estimates for the barrier between the minimum (D(2d)) and transition state (D(4h)) configurations require both higher levels of electron correlation [MP4, CCSD(T)] and orbital basis sets of quadruple-zeta quality or larger. By performing CCSD(T) calculations with basis sets as large as cc-pV5Z, we were able to obtain, for the first time, a value for the puckering barrier that lies within 10 cm(-1) (or 2%) from experiment, whereas the best previously calculated values were in errors exceeding 40% of experiment. Our best estimate of 498 cm(-1) for the puckering barrier is within 10 cm(-1) of the experimental value proposed originally, but it lies approximately 50 cm(-1) higher than the revisited value, which was obtained more recently using different assumptions regarding the coupling between the various modes. It is therefore suggested that revisiting the analysis of the experimental data might be warranted. Our best computed values (at the CCSD(T)/aug-cc-pVTZ level of theory) for the equilibrium structural parameters of C4H8 are r(C-C) = 1.554 A, r(C-H(alpha)) = 1.093 A, r(C-H(beta)) = 1.091 A, phi(C-C-C) = 88.1 degrees , alpha(H(alpha)-C-H(beta)) = 109.15 degrees , and theta = 29.68 degrees for the puckering angle. We have found that the puckering angle theta is more sensitive to the level of electron correlation than to the size of the basis set for a given method. We furthermore present anharmonic calculations that are based on a second-order perturbative evaluation of rovibrational parameters and their effects on the vibrational spectra and average structure. We have found that the anharmonic calculations predict the experimentally measured fundamental band origins within 1% (< or =30 cm(-1)) for most vibrations. The results of the current study can serve as a guide for future calculations on the substituted four-member ring hydrocarbon compounds. To this end we present a method for estimating the puckering barrier height at higher levels of electron correlation [MP4, CCSD(T)] from the MP2 results that can be used in chemically similar compounds.

Computational and Experimental Study of Energetic Materials in a Counterflow Microgravity Environment

NASA Technical Reports Server (NTRS)

Takahashi, Fumiaki (Technical Monitor); Urban, David (Technical Monitor); Smooke, M. D.; Parr, T. P.; Hanson-Parr, D. M.; Yetter, R. A.; Risha, G.

2004-01-01

Counterflow diffusion flames are studied for various fuels flowing against decomposition products from solid ammonium perchlorate (AP) pellets in order to obtain fundamental understanding of composite propellant flame structure and chemistry. We illustrate this approach through a combined experimental and numerical study of a fuel mixture consisting of C2H4 CO + H2, and C2H2 + C2H4 flowing against solid AP. For these particular AP-fuel systems, the resulting flame zone simulates the various flame structures that are ex+ to exist between reaction products from Ap crystals and a hydrocarbon binder. As in all our experimental studies, quantitative species and temperature profiles have been measured between the fuel exit and AP surface. Species measured included CN, NH, NO, OH, N2, CO2, CO, H2, CO, HCl, and H2O. Temperature was measured using a thermocouple at the exit, spontaneous Raman scattering measurements throughout the flame, OH rotational population distributions, and NO vibrational population distributions. The burning rate of AP was also measured as a function of strain rate, given by the separation distance between the AP surface and the gaseous hydrocarbon fuel tube exit plane. This distance was nominally set at 5 mm, although studies have been performed for variations in separation distance. The measured 12 scalars are compared with predictions from a detailed gas-phase kinetics model consisting of 86 species and 531 reactions. Model predictions are found to be in good agreement with experiment and illustrate the type of kinetic features that may be expected to occur in propellants when AP particle size distributions are varied. Furthermore, the results constitute the continued development of a necessary database and validation of a comprehensive model for studying more complex AP-solid fuel systems in microgravity. Exploratory studies have also been performed with liquid and solid fuels at normal gravity. Because of melting (and hence dripping) and deep thermal wave penetration into the liquid, these experiments were found feasible, but not used for obtaining quantitative data. Microgravity experiments are needed to eliminate the dripping and boiling phenomena of these systems at normal gravity. Microgravity tests in the NASA Glenn 2.2 second drop tower were performed (1) to demonstrate the feasibility of performing propellant experiments using the NASA Glenn microgravity facilities, (2) to develop the operational procedures for safe handing of the energetic materials and disposal of their toxic combustion by-products and (3) to obtain initial measurements of the AP burning rate and flame structure under microgravity conditions. Experiments were conducted on the CH4/AP system previously studied at normal gravity using a modified design of the counterflow burner and a NASA Glenn Pig Rig, i.e., one of the existing drop rigs for general-purpose usage. In these experiments, the AP burning rate was measured directly with a linear variable differential transducer (LVDT) and video imaging of the flame structure was recorded ignition was achieved by hot wires stretched across the AP surfaces. Initial drop tower combustion data show that with the same burner separation distance and flow conditions of the normal gravity experiments, the AP burning rate is approximately a factor of two lower. This difference is likely a result of radiation effects, but further tests with longer test times need to be conducted to verify that steady state conditions were achieved under microgravity conditions.

C-Mod MHD stability analysis with LHCD

NASA Astrophysics Data System (ADS)

Ebrahimi, Fatima; Bhattacharjee, A.; Delgado, L.; Scott, S.; Wilson, J. R.; Wallace, G. M.; Shiraiwa, S.; Mumgaard, R. T.

2016-10-01

In lower hybrid current drive (LHCD) experiments on the Alcator C-Mod, sawtooth activity could be suppressed as the safety factor q on axis is raised above unity. However, in some of these experiments, after applying LHCD, the onset of MHD mode activity caused the current drive efficiency to significantly drop. Here, we study the stability of these experiments by performing MHD simulations using the NIMROD code starting with experimental EFIT equilibria. First, consistent with the LHCD experiment with no signature of MHD activity, MHD mode activity was also absent in the simulations. Second, for experiments with MHD mode activity, we find that a core n=1 reconnecting mode with dominate poloidal modes of m=2,3 is unstable. This mode is a resistive current-driven mode as its growth rate scales with a negative power of the Lundquist number in the simulations. In addition, with further enhanced reversed-shear q profile in the simulations, a core double tearing mode is found to be unstable. This work is supported by U.S. DOE cooperative agreement DE-FC02-99ER54512 using the Alcator C-Mod tokamak, a DOE Office of Science user facility.

An Experimental Approach to CO2 Sequestration in Saline Aquifers: Application to Paradox Valley, CO

NASA Astrophysics Data System (ADS)

Rosenbauer, R. J.; Bischoff, J. L.; Koksalan, T.

2001-12-01

As part of a Bureau of Reclamation program to decrease the salt load of the lower Colorado River Paradox, Valley Brine (PVB) is being disposed of into the Leadville Formation via a deep-injection well, situated in southwest Colorado. A complex pre-injection process uses nano-filtration to minimize well-plugging scaling caused by elevated downhole temperatures and pressures. We address here the possibility of liquid carbon dioxide as an additive to the injection fluid in an attempt to increase formation porosity. We report here the CO2 solubility results of preliminary experiments on pure water and PVB. We used fixed-volume titanium and flexible gold-cell technology to (1) measure the solubility of CO2 in PVB from surface to downhole conditions and (2) investigate the geochemical interactions between CO2 - charged PVB and rocks from the Leadville Limestone. The apparatus is applicable to the general study of CO2 sequestration in deep-saline aquifers where the understanding of the interaction of CO2 - charged fluids and potential host rocks is important. The experimental procedure is an adaptation of the technology designed to study hydrothermal systems where seawater was reacted with basaltic rocks at high temperature and pressure. This procedure has been used extensively for the investigation of rock-water interactions and the determination of the solubilities of Na-K-Ca-Cl solutions over a wide range of temperature, pressure, and composition, along the vapor pressure curve and from beyond the critical point to the triple point. To validate the experimental design we calibrated the system with published data on the binary CO2 - pure water system. We obtained new data on the solubility of CO2 in pure water and PVB ( ~21% TDS) at 21° C and 50° C from 100 to 600 bars. At 21° C the solubility of CO2 (as wt% CO2/g fluid) in PVB is 2.2, 2.3, and 2.6 at 100, 300 and 600 bars pressure respectively contrasted with 6.5, 7.4 and 8.5 in pure water at similar pressures. At 50° C and the same pressures the solubility of CO2 in PVB is 1.9, 2.1, and 2.5 respectively. Pressure/solubility relations suggest that differences between the solubility of CO2 in pure water and PVB are not due to simple salting out effects. Experiments are underway to test a pure NaCl solution as an analog for PVB.

The effects of feeding clinoptilolite on hematology, performance, and health of newborn lambs.

PubMed

Norouzian, M A; Valizadeh, R; Khadem, A A; Afzalzadeh, A; Nabipour, A

2010-11-01

The effects of feeding clinoptilolite on hematology, performance, and health of newborn Balouchi lambs were evaluated in this experiment. In a completely randomized design, 30 newborn lambs were allocated to three groups and fed by basal diet (C0; without clinoptilolite) and C1 and C2 (the basal diet plus 1.5% and 3% clinoptilolite, respectively, for 6 weeks (3 weeks before and 3 weeks after weaning)). Blood samples were taken from all lambs, at the time when the animals were allocated to the experimental diet and at the end of each week of experiment, and analyzed for hematology, plasma fibrinogen, and total protein. Performance and health of all lambs were measured. Fecal consistency score and diarrhea severity were evaluated. There was no difference between lambs in case of hematological parameters. Lambs fecal consistency score and severity of diarrhea were lowest (P < 0.05) for lambs on C1 and C2 and highest for lambs on C0. Dry matter intake and feed conservation ratio were similar between the groups of lambs fed by different diets, but daily gain of lambs differed significantly (P < 0.05) and was higher in C2. It was concluded that addition of 3% clinoptilolite to starter diet of newborn lamb can reduce incidence and severity of diarrhea, although its effect on hematology and performance was negligible.

Smectite clays in Mars soil: evidence for their presence and role in Viking biology experimental results.

PubMed

Banin, A; Rishpon, J

1979-12-01

Various chemical, physical and geological observations indicate that smectite clays are probably the major components of the Martian soil. Satisfactory ground-based chemical simulation of the Viking biology experimental results was obtained with the smectite clays nontronite and montmorillonite when they contained iron and hydrogen as adsorbed ions. Radioactive gas was released from the medium solution used in the Viking Labeled Release (LR) experiment when interacted with the clays, at rates and quantities similar to those measured by Viking on Mars. Heating of the active clay (mixed with soluble salts) to 160 degrees C in CO2 atmosphere reduced the decomposition activity considerably, again, as was observed on Mars. The decomposition reaction in LR experiment is postulated to be iron-catalyzed formate decomposition on the clay surface. The main features of the Viking Pyrolytic Release (PR) experiment were also simulated recently (Hubbard, 1979) which the iron clays, including a relatively low '1st peak' and significant '2nd peak'. The accumulated observations on various Martian soil properties and the results of simulation experiments, thus indicate that smectite clays are major and active components of the Martian soil. It now appears that many of the results of the Viking biology experiments can be explained on the basis of their surface activity in catalysis and adsorption.

Structured triacylglycerol containing behenic and oleic acids suppresses triacylglycerol absorption and prevents obesity in rats.

PubMed

Kojima, Makiko; Tachibana, Nobuhiko; Yamahira, Takashi; Seino, Satoshi; Izumisawa, Ayako; Sagi, Nobuo; Arishima, Toshiharu; Kohno, Mitsutaka; Takamatsu, Kiyoharu; Hirotsuka, Motohiko; Ikeda, Ikuo

2010-07-24

Dietary 1(3)-behenoyl-2,3(1)-dioleoyl-rac-glycerol (BOO) has been reported to inhibit pancreatic lipase activity in vitro and suppress postprandial hypertriacylglycerolemia in humans. In the present study, the anti-obesity activities of BOO and its inhibitory effects on lymphatic triacylglycerol (TAG) absorption were investigated in rats. In Experiment 1, rats were fed either BOO or soybean oil (SO) diet for 6 weeks. In the BOO diet, 20% of SO was replaced with an experimental oil rich in BOO. In Experiments 2 and 3, rats cannulated in the thoracic duct were administered an emulsions containing trioleoylglycerol (OOO) or an oil mixture (OOO:BOO, 9:1). Tri[1-14C]oleoylglycerol (14C-OOO) was added to the emulsions administered in Experiment 3. No observable differences were detected in food intake or body weight gain between the BOO and SO groups in Experiment 1. Plasma and liver TAG concentrations and visceral fat weights were significantly lower in the BOO group than in the SO group. The apparent absorption rate of fat was significantly lower in the BOO group than in the SO group. In Experiment 2, the lymphatic recovery of oleic and behenic acids was significantly lower at 5 and 6 h after BOO administration than after OOO administration. In Experiment 3, the lymphatic recovery of 14C-OOO was significantly lower at 5 and 6 h after BOO administration than after OOO administration. These results suggest that BOO prevents deposition of visceral fat and hepatic TAG by lowering and delaying intestinal absorption of TAG.

Effects of select and reject control on equivalence class formation and transfer of function.

PubMed

Perez, William F; Tomanari, Gerson Y; Vaidya, Manish

2015-09-01

The present study used a single-subject design to evaluate the effects of select or reject control on equivalence class formation and transfer of function. Adults were exposed to a matching-to-sample task with observing requirements (MTS-OR) in order to bias the establishment of sample/S+ (select) or sample/S- (reject) relations. In Experiment 1, four sets of baseline conditional relations were taught-two under reject control (A1B2C1, A2B1C2) and two under select control (D1E1F1, D2E2F2). Participants were tested for transitivity, symmetry, equivalence and reflexivity. They also learned a simple discrimination involving one of the stimuli from the equivalence classes and were tested for the transfer of the discriminative function. In general, participants performed with high accuracy on all equivalence-related probes as well as the transfer of function probes under select control. Under reject control, participants had high scores only on the symmetry test; transfer of function was attributed to stimuli programmed as S-. In Experiment 2, the equivalence class under reject control was expanded to four members (A1B2C1D2; A2B1C2D1). Participants had high scores only on symmetry and on transitivity and equivalence tests involving two nodes. Transfer of function was extended to the programmed S- added to each class. Results from both experiments suggest that select and reject controls might differently affect the formation of equivalence classes and the transfer of stimulus functions. © Society for the Experimental Analysis of Behavior.

Speciation of High-Pressure Carbon-Saturated COH Fluids at Buffered fO2 Conditions: An Experimental Approach

NASA Astrophysics Data System (ADS)

Tumiati, S.; Tiraboschi, C.; Recchia, S.; Poli, S.

2014-12-01

The quantitative assessment of species in COH fluids is crucial in modelling mantle processes. For instance, H2O/CO2 ratio in the fluid phase influences the location of the solidus and of carbonation/decarbonation reactions in peridotitic systems . In the scientific literature, the speciation of COH fluids has been generally assumed on the basis of thermodynamic calculations using equations of state of simple H2O-non-polar gas systems (e.g., H2O-CO2-CH4). Only few authors dealt with the experimental determination of high-pressure COH fluid species at different conditions, using diverse experimental and analytical approaches (e.g., piston cylinder+capsule-piercing+gas-chromatography/mass-spectrometry; cold-seal+silica glass capsules+Raman). We performed experiments on COH fluids using a capsule-piercing device coupled with a quadrupole mass spectrometry. This type of analyzer ensures superior performances in terms of selectivity of molecules to be detected, high acquisition rates and extended linear response range. Experiments were carried out in a rocking piston cylinder apparatus at pressure of 1 GPa and temperatures from 800 to 900°C. Carbon-saturated fluids were generated through the addition of oxalic acid dihydrate and graphite. Single/double capsules and different packing materials (BN and MgO) were used to evaluate the divergence from the thermodynamic speciation model. Moreover, to assess the effect of solutes on COH fluid speciation we also performed a set of experiments adding synthetic forsterite to the charge. To determine the speciation we assembled a capsule-piercing device that allows to puncture the capsule in a gas-tight vessel at 80°C. The extraction Teflon vessel is composed of a base part, where the capsule is allocated on a steel support, and a top part where a steel drill is mounted. To release the quenched fluids from the capsule, the base part of vessel is hand-tighten to the top part, allowing the steel pointer to pierce the capsule. The evolved gases are then convoyed to a quadrupole mass spectrometer through a heated line to avoid the condensation of water. Our results suggest that fluid speciation can diverge considerably compared to the thermodynamic model depending on the experimental strategies adopted and on the presence of solutes in complex COH systems.

Half a degree additional warming, prognosis and projected impacts (HAPPI): background and experimental design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mitchell, Daniel; AchutaRao, Krishna; Allen, Myles

The Intergovernmental Panel on Climate Change (IPCC) has accepted the invitation from the UNFCCC to provide a special report on the impacts of global warming of 1.5 °C above pre-industrial levels and on related global greenhouse-gas emission pathways. Many current experiments in, for example, the Coupled Model Inter-comparison Project (CMIP), are not specifically designed for informing this report. Here, we document the design of the half a degree additional warming, projections, prognosis and impacts (HAPPI) experiment. HAPPI provides a framework for the generation of climate data describing how the climate, and in particular extreme weather, might differ from the presentmore » day in worlds that are 1.5 and 2.0 °C warmer than pre-industrial conditions. Output from participating climate models includes variables frequently used by a range of impact models. The key challenge is to separate the impact of an additional approximately half degree of warming from uncertainty in climate model responses and internal climate variability that dominate CMIP-style experiments under low-emission scenarios.Large ensembles of simulations (> 50 members) of atmosphere-only models for three time slices are proposed, each a decade in length: the first being the most recent observed 10-year period (2006–2015), the second two being estimates of a similar decade but under 1.5 and 2 °C conditions a century in the future. We use the representative concentration pathway 2.6 (RCP2.6) to provide the model boundary conditions for the 1.5 °C scenario, and a weighted combination of RCP2.6 and RCP4.5 for the 2 °C scenario.« less

Half a degree additional warming, prognosis and projected impacts (HAPPI): background and experimental design

DOE PAGES

Mitchell, Daniel; AchutaRao, Krishna; Allen, Myles; ...

2017-02-08

The Intergovernmental Panel on Climate Change (IPCC) has accepted the invitation from the UNFCCC to provide a special report on the impacts of global warming of 1.5 °C above pre-industrial levels and on related global greenhouse-gas emission pathways. Many current experiments in, for example, the Coupled Model Inter-comparison Project (CMIP), are not specifically designed for informing this report. Here, we document the design of the half a degree additional warming, projections, prognosis and impacts (HAPPI) experiment. HAPPI provides a framework for the generation of climate data describing how the climate, and in particular extreme weather, might differ from the presentmore » day in worlds that are 1.5 and 2.0 °C warmer than pre-industrial conditions. Output from participating climate models includes variables frequently used by a range of impact models. The key challenge is to separate the impact of an additional approximately half degree of warming from uncertainty in climate model responses and internal climate variability that dominate CMIP-style experiments under low-emission scenarios.Large ensembles of simulations (> 50 members) of atmosphere-only models for three time slices are proposed, each a decade in length: the first being the most recent observed 10-year period (2006–2015), the second two being estimates of a similar decade but under 1.5 and 2 °C conditions a century in the future. We use the representative concentration pathway 2.6 (RCP2.6) to provide the model boundary conditions for the 1.5 °C scenario, and a weighted combination of RCP2.6 and RCP4.5 for the 2 °C scenario.« less

A combined theoretical and experimental study on the oxygenated graphitic carbon nitride as a promising sulfur host for lithium-sulfur batteries

NASA Astrophysics Data System (ADS)

He, Feng; Li, Kai; Yin, Cong; Ding, Yingchun; Tang, Hao; Wang, Ying; Wu, Zhijian

2018-01-01

To effectively restrain the dissolution of soluble polysulfides and fully utilize the active sulfur materials in lithium-sulfur (Li-S) batteries, host materials with unique compositions and porous structures have been pursued. Herein, we have investigated the mechanism of the excellent activity of oxygenated g-C3N4 for Li-S batteries from theoretical perspective, and the further experiment confirms that our O-g-C3N4-S cathode exhibits much better electrochemical performance compared with those in previous reports. Our DFT calculations reveal that the oxygenated material has better electrical conductivity and stronger adsorption ability with the Li2Sx species compared with the pristine g-C3N4 and other two-dimensional (2D) materials. Furthermore, we have confirmed experimentally that the O-g-C3N4-S composite cathode exhibits excellent electrochemical performance in Li-S batteries with high reversible discharge capacity of 1030 mAh g-1 after 100 cycles at 0.2 C, great rate capability with the discharge capacity of 364 mAh g-1 even at 5.0 C, and outstanding long-term cyclic stability with the discharge capacity of 465 mAh g-1 after 1000 cycles at 1.0 C (capacity decay was only 0.046% per cycle). Our results also suggest that theoretical study will play a significant role in predicting and screening novel materials with better performance.

An experimental assessment of the quartz-in-epidote barometer

NASA Astrophysics Data System (ADS)

Cisneros, M.; Ashley, K.

2017-12-01

We focus on quantifying the suitability of a quartz-in-epidote (qtz-in-ep) solid mineral barometer because theoretical calculations applying an isotropic elastic model suggest that qtz-in-ep inclusion pressures (Pincl) exhibit minimal temperature dependence, with the potential to elucidate the growth conditions of epidote in geologic environments with poor PT constraints (e.g., skarn deposits, retrograde metamorphic rocks). We carried-out heating experiments and compare Raman spectroscopic shifts in the 464 cm-1 band of quartz (and therefore Pincl) with modeled Pincl for three epidotes derived from samples with well constrained PT conditions: 1) FT-1E from Frosnitztal Tal (Pincl = 6.8 kbar), 2) LdC-31C from Lago-di-Cignana (Pincl = 2.6 kbar), and 3) HF-14C from the Upper Schieferhuelle in Western Tauern (Pincl = 0.74 kbar). At elevated temperatures, we encountered difficulties in separating the quartz 464 cm-1 Raman peak and shoulder epidote peaks due to the convergence resulting from the T-sensitivity of the quartz band. Our low pressure HF14C quartz peaks were particularly difficult to fit at elevated temperatures and displayed lower entrapment pressures (Pent) than modelled Pent for most entrapment temperatures (Tent); however, experimental Pent for samples FT-1E and LdC-31C match modelled Pent extremely well. Ambient quartz inclusion pressures are consistent with previously constrained PT conditions: 1) FT-1E: Pent = 21.5 (Tent = 625 ºC), 2) LdC-31C: Pent= 11.7 kbar (Tent = 550 ºC), 3) HF-14C: Pent = 7.4 kbar (Tent= 500 ºC). Reference PT conditions for these samples are as follows: 1) FT-1E: P = 20 - 24 kbar, T = 625 ºC, 2) LdC-31C: P = 32 - 34 kbar, T = 550 ºC, 3) HF-14C: P = 7 - 8 kbar, T = 500 ºC. Qtz-in-ep pressures from sample LdC-31C are consistent with early, low-P vein epidote precipitation that pre-dates high-P metamorphism or low-P retrogression in the Lago-di-Cignana region. Our work successfully demonstrates that a qtz-in-ep barometer can be used for accurate, robust entrapment pressure estimates of rocks from moderate to high pressure metamorphic terranes. Furthermore, our work suggests that other anisotropic mineral pairs may be suitable for Raman thermobarometry without the need to carry-out heating experiments to apply temperature-dependent Pent corrections.

Experimental study on thermal conductivity of solution combustion synthesized MgO nanoparticles dispersed in water and ethylene glycol (50:50) binary mixture

NASA Astrophysics Data System (ADS)

Suseel Jai Krishnan, S.; P. K., Nagarajan

2017-05-01

In this present investigation, experiments were conducted on the magnesia nanoparticles (8-18 nm) synthesized by the solution combustion method, which was dispersed in the binary mixture of water-ethylene glycol (50:50) to prepare stable MgO-water-ethylene glycol (50:50) nanofluids through continuous 26h ultrasonication. The effect of nanoparticle concentration (0 to 0.2 vol%) and temperature (25°C to 60°C) on the thermal conductivity of the nanofluids was investigated. The results clearly indicate that an increase in the nanoparticle concentration increases the thermal conductivity of the nanofluid. Similarly the thermal conductivity of the nanofluid increases with increase in temperature. The enhanced thermal conductivity in the nanofluids may be due to either or both, the Brownian movement and the nano-interfacial layering. The maximum enhancement of 16% was obtained at 0.2 vol% nanoparticle concentration and at 60°C. An accurate correlation, modeling the thermal conductivity as a function of nanoparticle concentration and temperature was also proposed based on the experimental data.

Effects of elevated CO2 and temperature on phytoplankton community biomass, species composition and photosynthesis during an experimentally induced autumn bloom in the western English Channel

NASA Astrophysics Data System (ADS)

Keys, Matthew; Tilstone, Gavin; Findlay, Helen S.; Widdicombe, Claire E.; Lawson, Tracy

2018-05-01

The combined effects of elevated pCO2 and temperature were investigated during an experimentally induced autumn phytoplankton bloom in vitro sampled from the western English Channel (WEC). A full factorial 36-day microcosm experiment was conducted under year 2100 predicted temperature (+4.5 °C) and pCO2 levels (800 µatm). Over the experimental period total phytoplankton biomass was significantly influenced by elevated pCO2. At the end of the experiment, biomass increased 6.5-fold under elevated pCO2 and 4.6-fold under elevated temperature relative to the ambient control. By contrast, the combined influence of elevated pCO2 and temperature had little effect on biomass relative to the control. Throughout the experiment in all treatments and in the control, the phytoplankton community structure shifted from dinoflagellates to nanophytoplankton . At the end of the experiment, under elevated pCO2 nanophytoplankton contributed 90 % of community biomass and was dominated by Phaeocystis spp. Under elevated temperature, nanophytoplankton comprised 85 % of the community biomass and was dominated by smaller nanoflagellates. In the control, larger nanoflagellates dominated whilst the smallest nanophytoplankton contribution was observed under combined elevated pCO2 and temperature ( ˜ 40 %). Under elevated pCO2, temperature and in the control there was a significant decrease in dinoflagellate biomass. Under the combined effects of elevated pCO2 and temperature, dinoflagellate biomass increased and was dominated by the harmful algal bloom (HAB) species, Prorocentrum cordatum. At the end of the experiment, chlorophyll a (Chl a) normalised maximum photosynthetic rates (PBm) increased > 6-fold under elevated pCO2 and > 3-fold under elevated temperature while no effect on PBm was observed when pCO2 and temperature were elevated simultaneously. The results suggest that future increases in temperature and pCO2 simultaneously do not appear to influence coastal phytoplankton productivity but significantly influence community composition during autumn in the WEC.

Study on bubbly flow behavior in natural circulation reactor by thermal-hydraulic simulation tests with SF6-Gas and ethanol liquid

NASA Astrophysics Data System (ADS)

Kondo, Yoshiyuki; Suga, Keishi; Hibi, Koki; Okazaki, Toshihiko; Komeno, Toshihiro; Kunugi, Tomoaki; Serizawa, Akimi; Yoneda, Kimitoshi; Arai, Takahiro

2009-02-01

An advanced experimental technique has been developed to simulate two-phase flow behavior in a light water reactor (LWR). The technique applies three kinds of methods; (1) use of sulfur-hexafluoride (SF6) gas and ethanol (C2H5OH) liquid at atmospheric temperature and a pressure less than 1.0MPa, where the fluid properties are similar to steam-water ones in the LWR, (2) generation of bubble with a sintering tube, which simulates bubble generation on heated surface in the LWR, (3) measurement of detailed bubble distribution data with a bi-optical probe (BOP), (4) and measurement of liquid velocities with the tracer liquid. This experimental technique provides easy visualization of flows by using a large scale experimental apparatus, which gives three-dimensional flows, and measurement of detailed spatial distributions of two-phase flow. With this technique, we have carried out experiments simulating two-phase flow behavior in a single-channel geometry, a multi-rod-bundle one, and a horizontal-tube-bundle one on a typical natural circulation reactor system. Those experiments have clarified a) a flow regime map in a rod bundle on the transient region between bubbly and churn flow, b) three-dimensional flow behaviour in rod-bundles where inter-subassembly cross-flow occurs, c) bubble-separation behavior with consideration of reactor internal structures. The data have given analysis models for the natural circulation reactor design with good extrapolation.

Experimental determination of C, F, and H partitioning between mantle minerals and carbonated basalt, CO2/Ba and CO2/Nb systematics of partial melting, and the CO2 contents of basaltic source regions

NASA Astrophysics Data System (ADS)

Rosenthal, A.; Hauri, E. H.; Hirschmann, M. M.

2015-02-01

To determine partitioning of C between upper mantle silicate minerals and basaltic melts, we executed 26 experiments between 0.8 and 3 GPa and 1250-1500 °C which yielded 37 mineral/glass pairs suitable for C analysis by secondary ion mass spectrometry (SIMS). To enhance detection limits, experiments were conducted with 13C-enriched bulk compositions. Independent measurements of 13C and 12C in coexisting phases produced two C partition coefficients for each mineral pair and allowed assessment of the approach to equilibrium during each experiment. Concentrations of C in olivine (ol), orthopyroxene (opx), clinopyroxene (cpx) and garnet (gt) range from 0.2 to 3.5 ppm, and resulting C partition coefficients for ol/melt, opx/melt, cpx/melt and gt/melt are, respectively, 0.0007 ± 0.0004 (n = 2), 0.0003 ± 0.0002 (n = 45), 0.0005 ± 0.0004 (n = 17) and 0.0001 ± 0.00007 (n = 5). The effective partition coefficient of C during partial melting of peridotite is 0.00055 ± 0.00025, and therefore C is significantly more incompatible than Nb, slightly more compatible than Ba, and, among refractory trace elements, most similar in behavior to U or Th. Experiments also yielded partition coefficients for F and H between minerals and melts. Combining new and previous values of DFmineral/melt yields bulk DFperidotite/melt = 0.011 ± 0.002, which suggests that F behaves similarly to La during partial melting of peridotite. Values of DHpyx/melt correlate with tetrahedral Al along a trend consistent with previously published determinations. Small-degree partial melting of the mantle results in considerable CO2/Nb fractionation, which is likely the cause of high CO2/Nb evident in some Nb-rich oceanic basalts. CO2/Ba is much less easily fractionated, with incompatible-element-enriched partial melts having lower CO2/Ba than less enriched basalts. Comparison of calculated behavior of CO2, Nb, and Ba to systematics of oceanic basalts suggests that depleted (DMM-like) sources have 75 ± 25 ppm CO2 (CO2/Nb = 505 ± 168, CO2/Ba = 133 ± 44), whereas enriched sources of intraplate basalts similar in concentrations to primitive mantle have 600 ± 200 ppm CO2. If all mantle reservoirs are expressed in the current inventory of oceanic basalts for which nearly undegassed CO2 concentrations are available, then we estimate the likely range of mantle C concentrations to be 1.4-4.8 × 1023 grams of C, or 1.5-5.2 times the mass of the current C surface reservoir. Depending on the assumed Ba and Nb contents of average oceanic crust, resulting ridge fluxes of C range from 7.2 × 1013 to 2.9 × 1014 g/yr.

Catalytic combustion of volatile organic compounds.

PubMed

Everaert, K; Baeyens, J

2004-06-18

Despite the success of adsorption and thermal incineration of (C)VOC emissions, there is still a need for research on techniques which are both economically more favorable and actually destroy the pollutants rather than merely remove them for recycling elsewhere in the biosphere. The catalytic destruction of (C)VOC to CO2, H2O and HCl/Cl2 appears very promising in this context and is the subject of the present paper. The experiments mainly investigate the catalytic combustion of eight target compounds, all of which are commonly encountered in (C)VOC emissions and/or act as precursors for the formation of PCDD/F. Available literature on the different catalysts active in the oxidation of (C)VOC is reviewed and the transition metal oxide complex V2O5-WO3/TiO2 appears most suitable for the current application. Different reactor geometries (e.g. fixed pellet beds, honeycombs, etc.) are also described. In this research a novel catalyst type is introduced, consisting of a V2O5-WO3/TiO2 coated metal fiber fleece. The conversion of (C)VOC by thermo-catalytic reactions is governed by both reaction kinetics and reaction equilibrium. Full conversion of all investigated VOC to CO2, Cl2, HCl and H2O is thermodynamically feasible within the range of experimental conditions used in this work (260-340 degrees C, feed concentrations 30-60 ppm). A first-order rate equation is proposed for the (C)VOC oxidation reactions. The apparent rate constant is a combination of reaction kinetics and mass transfer effects. The oxidation efficiencies were measured with various (C)VOC in the temperature range of 260-340 degrees C. Literature data for oxidation reactions in fixed beds and honeycomb reactors are included in the assessment. Mass transfer resistances are calculated and are generally negligible for fleece reactors and fixed pellet beds, but can be of importance for honeycomb monoliths. The experimental investigations demonstrate: (i) that the conversion of the hydrocarbons is independent of the oxygen concentration, corresponding to a zero-order dependency of the reaction rate; (ii) that the conversion of the hydrocarbons is a first-order reaction in the (C)VOC; (iii) that the oxidation of the (C)VOC proceeds to a higher extent with increasing temperature, with multiple chlorine substitution enhancing the reactivity; (iv) that the reaction rate constant follows an Arrhenius dependency. The reaction rate constant kr (s(-1)) and the activation energy E (kJ/mol) are determined from the experimental results. The activation energy is related to the characteristics of the (C)VOC under scrutiny and correlated in terms of the molecular weight. The kr-values are system-dependent and hence limited in design application to the specific VOC-catalyst combination being studied. To achieve system-independency, kr-values are transformed into an alternative kinetic constant K (m3/(m2u)) expressed per unit of catalyst surface and thus independent of the amount of catalyst present in the reactor. Largely different experimental data can be fitted in terms of this approach. Results are thereafter used to define the Arrhenius pre-exponential factor A*, itself expressed in terms of the activation entropy. Destruction efficiencies for any given reactor set-up can be predicted from E- and A*-correlations. The excellent comparison of predicted and measured destruction efficiencies for a group of chlorinated aromatics stresses the validity of the design approach. Since laboratory-scale experiments using PCDD/F are impossible, pilot and full-scale tests of PCDD/F oxidation undertaken in Flemish MSWIs and obtained from literature are reported. From the data it is clear that: (i) destruction efficiencies are normally excellent; (ii) the efficiencies increase with increasing operating temperature; (iii) the higher degree of chlorination does not markedly affect the destruction efficiency. Finally, all experimental findings are used in design recommendations for the catalytic oxidation of (C)VOC and PCDD/F. Predicted values of the a)VOC and PCDD/F. Predicted values of the acceptable space velocity correspond with the cited industrial values, thus stressing the validity of the design strategy and equations developed in the present paper.

Modeling a CO2 mineralization experiment of fractured peridotite from the Semail ophiolite/ Oman

NASA Astrophysics Data System (ADS)

Muller, Nadja; Zhang, Guoxiang; van Noort, Reinier; Spiers, Chris; Ten Grotenhuis, Saskia; Hoedeman, Gerco

2010-05-01

Most geologic CO2 sequestration technologies focus on sedimentary rocks, where the carbon dioxide is stored in a fluid phase. A possible alternative is to trap it as a mineral in the subsurface (in-situ) in basaltic or even (ultra)mafic rocks. Carbon dioxide in aqueous solution reacts with Mg-, Ca-, and Fe-bearing silicate minerals, precipitates as (MgCa,Fe)CO3 (carbonate), and can thus be permanently sequestered. The cation donors are silicate minerals such as olivine and pyroxene which are abundant in (ultra)mafic rocks, such as peridotite. Investigations are underway to evaluate the sequestration potential of the Semail Ophiolite in Oman, utilizing the large volumes of partially serpentinized peridotite that are present. Key factors are the rate of mineralization due to dissolution of the peridotite and precipitation of carbonate, the extent of the natural and hydraulic fracture network and the accessibility of the rock to reactive fluids. To quantify the influence of dissolution rates on the overall CO2 mineralization process, small, fractured peridotite samples were exposed to supercritical CO2 and water in laboratory experiments. The samples are cored from a large rock sample in the dimension of small cylinders with 1 cm in height and diameter, with a mass of ~2g. Several experimental conditions were tested with different equipment, from large volume autoclave to small volume cold seal vessel. The 650 ml autoclave contained 400-500g of water and a sample under 10 MPa of partial CO2 pressure up to 150. The small capsules in the cold seal vessel held 1-1.5g of water and the sample under CO2 partial pressure from 15MPa to 70 MPa and temperature from 60 to 200°C. The samples remained for two weeks in the reaction vessels. In addition, bench acid bath experiments in 150 ml vials were performed open to the atmosphere at 50-80°C and pH of ~3. The main observation was that the peridotite dissolved two orders of magnitude slower in the high pressure and temperature cell of the cold seal vessel than comparative experiments in large volume autoclaves and bench acid bath vials under lower and atmospheric pressure conditions. We attributed this observation to the limited water availability in the cold seal vessel, limiting the aqueous reaction of bi-carbonate formation and magnesite precipitation. To test this hypothesis, one of the cold seal vessel experiments at 20 MPa and 100°C was simulated with a reactive transport model, using TOUGHREACT. To simulate the actual experimental conditions, the model used a grid on mm and 100's of μm scale and a fractured peridotite medium with serpentine filling the fractures. The simulation produced dissolution comparable to the experiment and showed an effective shut down of the bi-carbonation reaction within one day after the start of the experiment. If the conditions of limited water supply seen in our experiments are applicable in a field setting, we could expect dissolution may be limited by the buffering of the pH and shut down of the bi-carbonate formation. Under field conditions water and CO2 will only flow in hydraulic induced fractures and the natural fracture network that is filled with serpentine and some carbonate. The simulation result and potential implication for the field application will require further experimental investigation in the lab or field in the future.

Mapping of the thermal neutron distribution in the lead block assembly of the PS-211 experiment at CERN, using thermoluminescence and nuclear track detectors.

PubMed

Savvidis, E; Eleftheriadis, C A; Kitis, G

2002-01-01

The main purpose of the TARC (Transmutation by Adiabatic Resonance Crossing) experiment (PS-211), was to demonstrate the possibility to destroy efficiently Long-Lived Fission Fragments (LLFF) in Accelerator Driven Systems (ADS). The experimental set-up which consisted of a lead block with dimensions 3.3 x 3.3 x 3 m3, was installed in a CERN Proton Synchrotron (PS) beam line. The proton beam at 2.5 GeV/c and 3.5 GeV/c, was incident in the centre of the lead block assembly producing neutrons via spallation reactions. In this study, neutron flux measurements are presented in the lead block assembly using thermoluminescence and nuclear track detectors. The results are in good agreement with Monte Carlo calculations as well as with the results of the other methods used in the framework of the TARC experiment.

Predicting long-term carbon sequestration in response to CO 2 enrichment: How and why do current ecosystem models differ?

DOE PAGES

Walker, Anthony P.; Zaehle, Sönke; Medlyn, Belinda E.; ...

2015-04-27

Large uncertainty exists in model projections of the land carbon (C) sink response to increasing atmospheric CO 2. Free-Air CO 2 Enrichment (FACE) experiments lasting a decade or more have investigated ecosystem responses to a step change in atmospheric CO 2 concentration. To interpret FACE results in the context of gradual increases in atmospheric CO 2 over decades to centuries, we used a suite of seven models to simulate the Duke and Oak Ridge FACE experiments extended for 300 years of CO 2 enrichment. We also determine key modeling assumptions that drive divergent projections of terrestrial C uptake and evaluatemore » whether these assumptions can be constrained by experimental evidence. All models simulated increased terrestrial C pools resulting from CO 2 enrichment, though there was substantial variability in quasi-equilibrium C sequestration and rates of change. In two of two models that assume that plant nitrogen (N) uptake is solely a function of soil N supply, the net primary production response to elevated CO 2 became progressively N limited. In four of five models that assume that N uptake is a function of both soil N supply and plant N demand, elevated CO 2 led to reduced ecosystem N losses and thus progressively relaxed nitrogen limitation. Many allocation assumptions resulted in increased wood allocation relative to leaves and roots which reduced the vegetation turnover rate and increased C sequestration. Additionally, self-thinning assumptions had a substantial impact on C sequestration in two models. As a result, accurate representation of N process dynamics (in particular N uptake), allocation, and forest self-thinning is key to minimizing uncertainty in projections of future C sequestration in response to elevated atmospheric CO 2.« less

HEAO C-1 gamma-ray spectrometer. [experimental design

NASA Technical Reports Server (NTRS)

Mahoney, W. A.; Ling, J. C.; Willett, J. B.; Jacobson, A. S.

1978-01-01

The gamma-ray spectroscopy experiment to be launched on the third High Energy Astronomy Observatory (HEAO C) will perform a complete sky search for narrow gamma-ray line emission to the level of about 00001 photons/sq cm -sec for steady point sources. The design of this experiment and its performance based on testing and calibration to date are discussed.

Effect of dietary supplementation of vitamin C on growth, reactive oxygen species, and antioxidant enzyme activity of Apostichopus japonicus (Selenka) juveniles exposed to nitrite

NASA Astrophysics Data System (ADS)

Luo, Zuoyong; Wang, Baojie; Liu, Mei; Jiang, Keyong; Liu, Mingxing; Wang, Lei

2014-07-01

Different amounts of vitamin C were added to diets fed to juveniles (2.5 ± 0.15 g) of sea cucumber Apostichopus japonic u s (Selenka) in an attempt to reduce the stress response of specimens exposed to nitrite stress. A commercial feed was used as the control diet and three experimental diets were made by supplementing 1 000, 1 500, or 2 000 mg vitamin C/kg diet to control diet separately in a 45-day experiment. Sea cucumbers were exposed to three different levels (0.5, 1.0, and 1.5 mg/L) of nitrite stress for 4, 8, and 12 h at four time intervals (0, 15, 30, and 45 d). Growth of the animals was recorded during the experiment. Reactive oxygen species (ROS) (i.e. hydroxyl free radical (-OH), malondialdehyde (MDA) and total antioxidant capacity (T-AOC)) and antioxidant enzyme activities (i.e., superoxide dismutase (SOD) and catalase (CAT)) were measured. Response surface methodology (RSM) was used to analyze the effect of multiple factors on ROS indices and enzyme activities. Weight gain (WG) and special growth rate (SGR) of vitamin C supplementation groups were significantly higher than those of control group ( P < 0.05). The levels of -OH and MDA increased under exposure time extending and nitrite concentration increasing, whereas T-AOC level decreased. SOD and CAT activities increased at 4 h and 8 h and decreased at 12 h. During the days in which the animal consumed experimental diets, the levels of -OH and MDA decreased and that of T-AOC increased. This result suggests that diets containing vitamin C could reduce the nitrite stress response in the animals and increase their antioxidant capacity. The multifactor regression equation of growth performance, ROS indices, and duration of feeding results suggest that vitamin C supplementation of 1 400-2 000 mg/kg diet for 29-35 days could reduce effectively the effects of nitrite exposure.

Pliocene Model Intercomparison Project (PlioMIP): Experimental Design and Boundary Conditions (Experiment 2)

NASA Technical Reports Server (NTRS)

Haywood, A. M.; Dowsett, H. J.; Robinson, M. M.; Stoll, D. K.; Dolan, A. M.; Lunt, D. J.; Otto-Bliesner, B.; Chandler, M. A.

2011-01-01

The Palaeoclimate Modelling Intercomparison Project has expanded to include a model intercomparison for the mid-Pliocene warm period (3.29 to 2.97 million yr ago). This project is referred to as PlioMIP (the Pliocene Model Intercomparison Project). Two experiments have been agreed upon and together compose the initial phase of PlioMIP. The first (Experiment 1) is being performed with atmosphere only climate models. The second (Experiment 2) utilizes fully coupled ocean-atmosphere climate models. Following on from the publication of the experimental design and boundary conditions for Experiment 1 in Geoscientific Model Development, this paper provides the necessary description of differences and/or additions to the experimental design for Experiment 2.

Pliocene Model Intercomparison Project (PlioMIP): experimental design and boundary conditions (Experiment 2)

USGS Publications Warehouse

Haywood, A.M.; Dowsett, H.J.; Robinson, M.M.; Stoll, D.K.; Dolan, A.M.; Lunt, D.J.; Otto-Bliesner, B.; Chandler, M.A.

2011-01-01

The Palaeoclimate Modelling Intercomparison Project has expanded to include a model intercomparison for the mid-Pliocene warm period (3.29 to 2.97 million yr ago). This project is referred to as PlioMIP (the Pliocene Model Intercomparison Project). Two experiments have been agreed upon and together compose the initial phase of PlioMIP. The first (Experiment 1) is being performed with atmosphere-only climate models. The second (Experiment 2) utilises fully coupled ocean-atmosphere climate models. Following on from the publication of the experimental design and boundary conditions for Experiment 1 in Geoscientific Model Development, this paper provides the necessary description of differences and/or additions to the experimental design for Experiment 2.

Migration of antioxidants from polylactic acid films: A parameter estimation approach and an overview of the current mass transfer models.

PubMed

Samsudin, Hayati; Auras, Rafael; Mishra, Dharmendra; Dolan, Kirk; Burgess, Gary; Rubino, Maria; Selke, Susan; Soto-Valdez, Herlinda

2018-01-01

Migration studies of chemicals from contact materials have been widely conducted due to their importance in determining the safety and shelf life of a food product in their packages. The US Food and Drug Administration (FDA) and the European Food Safety Authority (EFSA) require this safety assessment for food contact materials. So, migration experiments are theoretically designed and experimentally conducted to obtain data that can be used to assess the kinetics of chemical release. In this work, a parameter estimation approach was used to review and to determine the mass transfer partition and diffusion coefficients governing the migration process of eight antioxidants from poly(lactic acid), PLA, based films into water/ethanol solutions at temperatures between 20 and 50°C. Scaled sensitivity coefficients were calculated to assess simultaneously estimation of a number of mass transfer parameters. An optimal experimental design approach was performed to show the importance of properly designing a migration experiment. Additional parameters also provide better insights on migration of the antioxidants. For example, the partition coefficients could be better estimated using data from the early part of the experiment instead at the end. Experiments could be conducted for shorter periods of time saving time and resources. Diffusion coefficients of the eight antioxidants from PLA films were between 0.2 and 19×10 -14 m 2 /s at ~40°C. The use of parameter estimation approach provided additional and useful insights about the migration of antioxidants from PLA films. Copyright © 2017 Elsevier Ltd. All rights reserved.

Sorption Modeling and Verification for Off-Gas Treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tavlarides, Lawrence; Yiacoumi, Sotira; Tsouris, Costas

2016-12-20

This project was successfully executed to provide valuable adsorption data and improve a comprehensive model developed in previous work by the authors. Data obtained were used in an integrated computer program to predict the behavior of adsorption columns. The model is supported by experimental data and has been shown to predict capture of off gas similar to that evolving during the reprocessing of nuclear waste. The computer program structure contains (a) equilibrium models of off-gases with the adsorbate; (b) mass-transfer models to describe off-gas mass transfer to a particle, diffusion through the pores of the particle, and adsorption on themore » active sites of the particle; and (c) incorporation of these models into fixed bed adsorption modeling, which includes advection through the bed. These models are being connected with the MOOSE (Multiphysics Object-Oriented Simulation Environment) software developed at the Idaho National Laboratory through DGOSPREY (Discontinuous Galerkin Off-gas SeParation and REcoverY) computer codes developed in this project. Experiments for iodine and water adsorption have been conducted on reduced silver mordenite (Ag0Z) for single layered particles. Adsorption apparatuses have been constructed to execute these experiments over a useful range of conditions for temperatures ranging from ambient to 250°C and water dew points ranging from -69 to 19°C. Experimental results were analyzed to determine mass transfer and diffusion of these gases into the particles and to determine which models best describe the single and binary component mass transfer and diffusion processes. The experimental results were also used to demonstrate the capabilities of the comprehensive models developed to predict single-particle adsorption and transients of the adsorption-desorption processes in fixed beds. Models for adsorption and mass transfer have been developed to mathematically describe adsorption kinetics and transport via diffusion and advection processes. These models were built on a numerical framework for solving conservation law problems in one-dimensional geometries such as spheres, cylinders, and lines. Coupled with the framework are specific models for adsorption in commercial adsorbents, such as zeolites and mordenites. Utilizing this modeling approach, the authors were able to accurately describe and predict adsorption kinetic data obtained from experiments at a variety of different temperatures and gas phase concentrations. A demonstration of how these models, and framework, can be used to simulate adsorption in fixed- bed columns is provided. The CO 2 absorption work involved modeling with supportive experimental information. A dynamic model was developed to simulate CO 2 absorption using high alkaline content water solutions. The model is based upon transient mass and energy balances for chemical species commonly present in CO 2 absorption. A computer code was developed to implement CO 2 absorption with a chemical reaction model. Experiments were conducted in a laboratory scale column to determine the model parameters. The influence of geometric parameters and operating variables on CO 2 absorption was studied over a wide range of conditions. Continuing work could employ the model to control column operation and predict the absorption behavior under various input conditions and other prescribed experimental perturbations. The value of the validated models and numerical frameworks developed in this project is that they can be used to predict the sorption behavior of off-gas evolved during the reprocessing of nuclear waste and thus reduce the cost of the experiments. They can also be used to design sorption processes based on concentration limits and flow-rates determined at the plant level.« less

Thermal performance trials on the habitability of private bushfire shelters: part 2

NASA Astrophysics Data System (ADS)

Taylor, Nigel A. S.; Haberley, Benjamin J.

2015-08-01

In the preceding communication, an investigation was described in which the thermal specifications for the design of private bushfire shelters were evaluated. Since those trials were undertaken with the thermal characteristics of the air clamped, survival uncertainty persisted if the internal ambient conditions were progressively changing, as would occur within an air-tight shelter. Therefore, two further investigations were performed. In the first, changes in the physical properties of air within an air-tight shelter simulator (1.2 m3), initially equilibrated to 43.7 °C and 42.3 % relative humidity, were studied when pre-heated, well-hydrated males were sealed inside ( N = 16; 60 min; experimental series 2). Air temperature and humidity moved sigmoidally to 40.5 °C (standard deviation (SD), 0.5) and 90.1 % (SD, 2.1). Oxygen and carbon dioxide fractional concentrations changed reciprocally, with respective terminal averages of 16.7 % (SD, 0.8) and 3.94 % (SD, 0.72). Deep-body temperature rose beyond the tenth minute to a terminal mean of 39.3 °C (SD, 0.2). In the third experimental series, these air temperature and humidity changes were reproduced in trials commencing at two different thermal states (40 °C and 70 % relative humidity; 45 °C and 50 % relative humidity). Sixteen pre-heated and slightly dehydrated men and women were investigated. In neither condition did the auditory canal temperature of any individual change by more than 2 °C or exceed 40 °C. It may be concluded, within the limits of these experiments, that the recommended thermal and dimensional specifications for bushfire shelters can provide tenable conditions for healthy, young adults.

Thermal performance trials on the habitability of private bushfire shelters: part 2.

PubMed

Taylor, Nigel A S; Haberley, Benjamin J

2015-08-01

In the preceding communication, an investigation was described in which the thermal specifications for the design of private bushfire shelters were evaluated. Since those trials were undertaken with the thermal characteristics of the air clamped, survival uncertainty persisted if the internal ambient conditions were progressively changing, as would occur within an air-tight shelter. Therefore, two further investigations were performed. In the first, changes in the physical properties of air within an air-tight shelter simulator (1.2 m(3)), initially equilibrated to 43.7 °C and 42.3 % relative humidity, were studied when pre-heated, well-hydrated males were sealed inside (N = 16; 60 min; experimental series 2). Air temperature and humidity moved sigmoidally to 40.5 °C (standard deviation (SD), 0.5) and 90.1 % (SD, 2.1). Oxygen and carbon dioxide fractional concentrations changed reciprocally, with respective terminal averages of 16.7 % (SD, 0.8) and 3.94 % (SD, 0.72). Deep-body temperature rose beyond the tenth minute to a terminal mean of 39.3 °C (SD, 0.2). In the third experimental series, these air temperature and humidity changes were reproduced in trials commencing at two different thermal states (40 °C and 70 % relative humidity; 45 °C and 50 % relative humidity). Sixteen pre-heated and slightly dehydrated men and women were investigated. In neither condition did the auditory canal temperature of any individual change by more than 2 °C or exceed 40 °C. It may be concluded, within the limits of these experiments, that the recommended thermal and dimensional specifications for bushfire shelters can provide tenable conditions for healthy, young adults.

Molecular structure, NMR, UV-Visible, vibrational spectroscopic and HOMO, LUMO analysis of (E)-1-(2, 6-bis (4-methoxyphenyl)-3, 3-dimethylpiperidine-4-ylidene)-2-(3-(3, 5-dimethyl-1H-pyrazol-1-yl) pyrazin-2-yl) hydrazine by DFT method

NASA Astrophysics Data System (ADS)

Alphonsa, A. Therasa; Loganathan, C.; Anand, S. Athavan Alias; Kabilan, S.

2016-02-01

We have synthesized (E)-1-(2, 6-bis (4-methoxyphenyl)-3, 3-dimethylpiperidine-4-ylidene)-2-(3-(3, 5-dimethyl-1H-pyrazol-1-yl) pyrazin-2-yl) hydrazine (PM6). It was characterized using FT-IR, FT-Raman, 1H NMR, 13C NMR techniques. To interpret the experimental data, ab initio computations of the vibrational frequencies were carried out using the Gaussian 09 program followed by the full optimizations done using Density Functional Theory (DFT) at B3LYP/6-311 G(d,p) level. The combined use of experiments and computations allowed a firm assignment of the majority of observed bands for the compound. The calculated stretching frequencies have been found to be in good agreement with the experimental frequencies. The electronic and charge transfer properties have been explained on the basis of highest occupied molecular orbitals (HOMOs), lowest unoccupied molecular orbitals (LUMOs) and density of states (DOS). The absorption spectra have been computed by using time dependent density functional theory (TD-DFT). 1H and 13C NMR spectra were recorded and 1H and 13C NMR chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. From the optimized geometry of the molecule, molecular electrostatic potential (MEP) distribution, frontier molecular orbitals (FMOs) of the title compound have been calculated in the ground state theoretically. The theoretical results showed good agreement with the experimental values.

Characteristics of hydrogen produced by partial oxidation and auto-thermal reforming in a small methanol reformer

NASA Astrophysics Data System (ADS)

Horng, Rong-Fang; Chou, Huann-Ming; Lee, Chiou-Hwang; Tsai, Hsien-Te

This paper investigates experimentally, the transient characteristics of a small methanol reformer using partial oxidation (POX) and auto-thermal reforming (ATR) for fuel cell applications. The parameters varied were heating temperature, methanol supply rate, steady mode shifting temperature, O 2/C (O 2/CH 3OH) and S/C (H 2O/CH 3OH) molar ratios with the main aim of promoting a rapid response and a high flow rate of hydrogen. The experiments showed that a high steady mode shifting temperature resulted in a faster temperature rise at the catalyst outlet and vice versa and that a low steady mode shifting temperature resulted in a lower final hydrogen concentration. However, when the mode shifting temperature was too high, the hydrogen production response was not necessarily improved. It was subsequently shown that the optimum steady mode shifting temperature for this experimental set-up was approximately 75 °C. Further, the hydrogen concentration produced by the auto-thermal process was as high as 49.12% and the volume flow rate up to 23.0 L min -1 compared to 40.0% and 20.5 L min -1 produced by partial oxidation.

Experimental constraints on mantle metasomatism caused by silicate and carbonate melts

NASA Astrophysics Data System (ADS)

Gervasoni, Fernanda; Klemme, Stephan; Rohrbach, Arno; Grützner, Tobias; Berndt, Jasper

2017-06-01

Metasomatic processes are responsible for many of the heterogeneities found in the upper mantle. To better understand the metasomatism in the lithospheric mantle and to illustrate the differences between metasomatism caused by hydrous silicate and carbonate-rich melts, we performed various interaction experiments: (1) Reactions between hydrous eclogite-derived melts and peridotite at 2.2-2.5 GPa and 900-1000 °C reproduce the metasomatism in the mantle wedge above subduction zones. (2) Reactions between carbonate-rich melts and peridotite at 2.5 GPa and 1050-1000 °C, and at 6 GPa and 1200-1250 °C simulate metasomatism of carbonatite and ultramafic silicate-carbonate melts in different regions of cratonic lithosphere. Our experimental results show that partial melting of hydrous eclogite produces hydrous Si- and Al-rich melts that react with peridotite and form bi-mineralic assemblages of Al-rich orthopyroxene and Mg-rich amphibole. We also found that carbonate-rich melts with different compositions react with peridotite and form new metasomatic wehrlitic mineral assemblages. Metasomatic reactions caused by Ca-rich carbonatite melt consume the primary peridotite and produce large amounts of metasomatic clinopyroxene; on the other hand, metasomatism caused by ultramafic silicate-carbonate melts produces less clinopyroxene. Furthermore, our experiments show that ultramafic silicate-carbonate melts react strongly with peridotite and cause crystallization of large amounts of metasomatic Fe-Ti oxides. The reactions of metasomatic melts with peridotite also change the melt composition. For instance, if the carbonatite melt is not entirely consumed during the metasomatic reactions, its melt composition may change dramatically, generating an alkali-rich carbonated silicate melt that is similar in composition to type I kimberlites.

Oxidation of dimethyl-ether and ethylene in the atmosphere and combustion environment and thermodynamic studies on hydrofluorocarbons usingab initio calculation methods

NASA Astrophysics Data System (ADS)

Yamada, Takahiro

1999-08-01

Reaction pathways and kinetics are analyzed on CH3OC.H2 unimolecular decay and on the complete CH3OC.H2 + O2 reaction system using thermodynamic properties DHdegf 298,Sdeg 298, and Cp(T) 300 <= T/K <= 1500) derived by two ab initio calculation methods, CBS-q and G2. These are used to determine thermodynamic properties of reactants, intermediate radicals and transition state (TS) compounds. Quantum Rice-Ramsperger-Kassel (QRRK) analysis is used to calculate energy dependent rate constants, k(E), and master equation is used to account for collisional stabilization. Comparison of calculated fall-off with experiment indicates that the CBS-q and G2 calculated Ea,rxn for the rate controlling transition state (β-scission reaction to CH 2O + C.H2OOH) needs to be lowered by factor of 3.3 kcal/mol and 4.0 kcal/mol respectively in order to match the data of Sehested et al. Experimental results on dimethyl-ether pyrolysis and oxidation reaction systems are compared with a detailed reaction mechanism model. The computer code CHEMKIN II is used for numerical integration. Overall agreement of the model data with experimental data is very good. Reaction pathways are analyzed and kinetics are determined on formation and reactions of the adduct resulting from OH addition to ethylene using the above ab initio methods. Hydrogen atom tunneling is included by use of Eckart formalism. Rate constants are compared with experimentally determined product branching ratios (C.H2CH 2OH stabilization: CH2O + CH3: CH3CHO + H). ab initio calculations are performed to estimate thermodynamic properties of nine fluorinated ethane compounds (fluoroethane to hexafluoroethane), eight fluoropropane (1-fluoropropane, 1,1- and 1,2- difluoropropane, 1,1,1- and 1,1,2-trifluoropropane, 1,1,1,2- and 1,1,2,2-tetrafluoropropane and 1,1,1,2,2- pentafluoropropane), and 2-fluoro,2-methylpropane. Standard entropies and heat capacities are calculated using the rigid-rotor-harmonic-oscillator approximation with direct integration over energy levels of the intramolecular rotation potential energy curve. Enthalpies of formation are estimated using G2MP2 total energies and isodesmic reactions. Thermodynamic properties for fluorinated carbon groups C/C/F/H2, C/C/F2/H, C/C/F3, C/C2/F/H, C/C2/F2 and C/C3/F for fluorinated alkane compounds, CD/F/H and CD/F2 for fluorinated alkene compounds and CT/F for fluorinated alkyne compounds are estimated. Fluorine-fluorine interaction terms F/F, 2F/F, 3F/F, 2F/2F, 3F/2F and 3F/3F for alkane compounds, F//F, 2F//F and 2F/2F for alkene compounds, and F///F for alkyne compound are also estimated.

Experimental determination of drag coefficients in low-density polyurethane foam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adams, M L

2006-04-18

We describe several experiments performed at the LLNL Site 300 firing range and on the LLNL 1/3 scale gun to investigate the deceleration of small projectiles (l {approx} 3-5 [mm]) in low-density foam ({rho} {approx} 0.08-0.32 [g/cm{sup 3}]). The experiments at the firing range researched a passive velocity diagnostic based on Faraday's law of induction, while experiments on the 1/3 scale gun investigated the effects of varying projectile surface area, projectile shape, and foam density on the drag coefficient c{sub d}. Analysis shows that the velocity diagnostic has an uncertainty on the order of 1 percent for projectiles with velocitymore » v {approx} 0.8-1.2 [km/s]. The 1/3 scale gun experiments, dubbed the Krispy Kreme series, included nine shots considering the combinations of 3 projectile surface areas with 3 target densities. The experiments used Tantalum square surface area block projectiles (with an initial velocity v{sub 0} {approx} 1.2 [km/s], a common thickness T = 2.67 [mm], and square side lengths of 3, 4, and 5 [mm]) decelerating in polyurethane foams (with densities {rho}{sub f} of 0.08, 0.16 and 0.32 [g/cm{sup 3}]). Standard fluid models of the Krispy Kreme experiments predict Reynolds numbers Re {approx} 10{sup 5} - 10{sup 6}, Mach numbers Ma {approx} 0.5-2.0, and drag coefficients c{sub d} {approx} 2-3. However, the data indicate that c{sub d} = 1.1-1.2 (c{sub d} = 1.7) for all three block projectiles in the 0.08 and 0.16 [g/cm{sup 3}] targets (0.32 [g/cm{sup 3}] target). First, we conclude that the drag force on projectiles in solid polyurethane foam is less than in fluids with equivalent dimensionless parameters. This result is also supported by an additional Krispy Kreme experiment that used a disk projectile (with diameter d = 4.51 [mm] and thickness T = 2.67 [mm]) penetrating a target with density {rho} = 0.16 [g/cm{sup 3}], i.e., the fluid-like c{sub d} = 1.15 while the measured c{sub d} = 0.63. Second, we conclude that the measured drag coefficient in the lower density foam targets is less than in the larger density foam target. This result is corroborated by firing range experiments with M855 NATO bullets (with diameter 5.56 [mm], mass 4.1 [g], and initial velocity {nu}{sub 0} {approx} 800 [m/s]) fired from an M16 rifle, i.e., c{sub d} = 0.3 (c{sub d} = 0.6) in the 0.16 [g/cm{sup 3}] (0.32 [g/cm{sup 3}]) target. We propose future 1/3 scale gun experiments using a passive velocity diagnostic with increased spatial resolution as well as simple spherical projectiles with 0.5 and 1.0 [cm] diameters.« less

Experimental determination of phase relationships of a chemically-zoned peralkaline silicic reservoir: the example of Green Tuff eruption at Pantelleria (Italy)

NASA Astrophysics Data System (ADS)

Romano, Pierangelo; Andujar, Joan; Scaillet, Bruno; Rotolo, Silvio

2017-04-01

Phase equilibrium experiments are recognized as an excellent method to determine the pre-eruptive conditions of magmas inasmuch they are extremely sensitive to small variation in major elements composition in the studied rocks. Trachytes and peralkaline rhyolites (i.e pantellerite and comendite) usually represent the felsic end-member in continental rift systems and oceanic island settings. Pantelleria island, almost entirely made up of trachyte and pantellerite, is well known in the petrological literature as being the type locality of pantellerites. In this study we present the results of phase equilibrium experiments performed on representative peralkaline rhyolite (pantellerite) and metaluminous trachytes of the Green Tuff eruptions of Pantelleria, the sole known compositionally zoned ignimbrite at this volcanic location, which varies from a crystal-poor pantellerite at the base towards a crystal-rich trachyte at the top of the eruptive sequence. Crystallization experiments were performed in the temperature range 750-950°C, pressure 1-1.5 kbar, fluid saturation conditions with XH2O (=H2O/H2O+CO2) between 0 and 1 and redox conditions fixed around the FMQ (Fayalite-Magnetite- Quartz) buffer. Results show that at 900 °C pantelleritic starting compositions are well above their liquidus, regardless their water content. At T < 800°C clinopyroxene is the liquidus phase followed by amphibole and alkali feldspar. Aenigmatite and quartz crystallize at 750°C and XH2O lower than 0.8. In contrast, the trachytic composition at 800°C is highly crystallized regardless its water content. The liquidus phase is clinopyroxene crystallizing at 950°C and XH2O<0.8 followed by iron-rich olivine and alkali feldspar. Iron-bearing minerals record the effect of both H2O and fO2, showing progressive iron enrichment when XH2O decreases. Alkali feldspar becomes the most abundant mineral phase for XH2O<0.8 at 900°C or XH2O<1 at 850°C both at 1 and 1.5 kbar. Experiments reproduced the mineral assemblages of the natural rocks, i.e. the pre-eruptive conditions were constrained at P 1 kbar, and is found that the compositional zoning in magma chamber (pantellerite to trachyte) is related to a temperature gradient (750°C-900°) within the reservoir. Moreover, our results allow demonstrating that a peralkaline liquid derivate can be produced from a metaluminous trachyte at T< 850°C after extensive alkali feldspar crystallization ( 80 wt%).

Characterization of iminothiosulfine-type ions [HNCS 2] rad +/ rad - and their neutral counterparts by mass spectrometry and computational chemistry

NASA Astrophysics Data System (ADS)

Vivekananda, S.; Raghunath, P.; Bhanuprakash, K.; Srinivas, R.; Trikoupis, Moschoula A.; Terlouw, Johan K.

2000-12-01

Electron ionization of rhodanine yields iminothiosulfine ions H- N C- S- Srad + , 1brad + , which readily communicate with the higher energy cyclic isomer H- N CS2rad + , 1arad + . CBS-QB3 and G AUSSIAN-2 model chemistries predict that one electron reduction reverses the stability order but that the (singlet) neutrals remain connected via a negligible energy barrier. Neutralization-reionization (NR) experiments demonstrate that singlet 1a and its heterocumulene isomer 1b are stable species in the gas-phase. However, the co-generated triplet species readily dissociate into 3S2rad + + HNC. Confirmatory experimental evidence comes from charge reversal (CR) and NR experiments on the cyclic anion H- N CS2rad - , 1arad - .

Onset of carbon-carbon bonding in Ta(5)C(y) (y = 0-6) clusters: a threshold photoionization and density functional theory study.

PubMed

Dryza, Viktoras; Alvino, Jason F; Metha, Gregory F

2010-04-01

We have used photoionization efficiency spectroscopy to determine ionization energies (IEs) of the gas-phase tantalum-carbide clusters Ta(5)C(y) (y = 0-6). The structures of the clusters observed in the experiment are assigned by comparing the experimental IEs with those of candidate isomers, calculated by density functional theory. Two competing geometries of the underlying Ta(5) cluster are found to be present in the assigned Ta(5)C(y) structures; either a "prolate" or "distorted oblate" trigonal bipyramid geometry. The onset of carbon-carbon bonding in the Ta(5)C(y) series is proposed to occur at y = 6, with the structure of Ta(5)C(6) containing two molecular C(2) units.

CP-10, a chemotactic peptide, is expressed in lesions of experimental autoimmune encephalomyelitis, neuritis, uveitis and in C6 gliomas.

PubMed

Deininger, M H; Zhao, Y; Schluesener, H J

1999-01-01

CP-10 (chemotactic protein of m.w. 10,000) is a member of the S100 superfamily of Ca2+ binding peptides, which has potent chemotactic activity for murine and human myeloid cells. Here we report on the generation of monoclonal antibodies against CP-10 and accumulation of CP-10+ cells during experimental autoimmune encephalomyelitis (EAE), neuritis (EAN), uveitis (EAU) and in experimentally transplanted C6 gliomas. During acute inflammation, CP-10 is mainly expressed by large ED1+ monocytic perivascular cells that accumulate at days 11-14. CP-10+ cells are predominantly located in areas of cellular infiltration but are as well found in the meninges and infiltrating the brain parenchyma. In transplanted gliomas, CP-10+ cells are located exclusively within the tumor parenchyma. Using double labeling experiments, other cells participating in the inflammatory reaction were found to express CP-10, like few lymphoblastic W3/13+ cells in the vicinity of the inflammatory infiltrate.

Kinetic modeling of liquefied petroleum gas (LPG) reduction of titania in MATLAB

NASA Astrophysics Data System (ADS)

Yin, Tan Wei; Ramakrishnan, Sivakumar; Rezan, Sheikh Abdul; Noor, Ahmad Fauzi Mohd; Izah Shoparwe, Noor; Alizadeh, Reza; Roohi, Parham

2017-04-01

In the present study, reduction of Titania (TiO2) by liquefied petroleum gas (LPG)-hydrogen-argon gas mixture was investigated by experimental and kinetic modelling in MATLAB. The reduction experiments were carried out in the temperature range of 1100-1200°C with a reduction time from 1-3 hours and 10-20 minutes of LPG flowing time. A shrinking core model (SCM) was employed for the kinetic modelling in order to determine the rate and extent of reduction. The highest experimental extent of reduction of 38% occurred at a temperature of 1200°C with 3 hours reduction time and 20 minutes of LPG flowing time. The SCM gave a predicted extent of reduction of 82.1% due to assumptions made in the model. The deviation between SCM and experimental data was attributed to porosity, thermodynamic properties and minute thermal fluctuations within the sample. In general, the reduction rates increased with increasing reduction temperature and LPG flowing time.

Natural realgar and amorphous AsS oxidation kinetics

NASA Astrophysics Data System (ADS)

Lengke, Maggy F.; Tempel, Regina N.

2003-03-01

The oxidation rates of natural realgar and amorphous synthetic AsS by dissolved oxygen were evaluated using mixed flow reactors at pH 7.2 to 8.8 and dissolved oxygen contents of 5.9 to 16.5 ppm over a temperature range of 25 to 40°C. The ratios of As/S are stoichiometric for all amorphous AsS oxidation experiments except for two experiments conducted at pH ˜8.8. In these experiments, stoichiometric ratios of As/S were only observed in the early stages of AsS (am) oxidation whereas lower As/S ratios were observed during steady state. For realgar oxidation experiments, the As/S ratio is less than the stoichiometric ratio of realgar, ranging between 0.61 and 0.71. This nonstoichiometric release of As and S to solution indicates that realgar oxidation is more selective for S after the rates of oxidation become constant. All measured oxidation rates at 25°C can be described within experimental uncertainties as follows: Table 1

The Search for the Pentaquark

NASA Astrophysics Data System (ADS)

Eyrich, Wolfgang

2007-01-01

In the last two years, starting with the LEPS collaboration1 several experiments reported evidence for a manifestly exotic narrow state with a mass of about 1530 MeV/c2. The state was found to decay into K0p and K+n. This object with strangeness S = +1 was named Θ+ and identified with the lightest exotic antidecuplet baryon predicted in the soliton model2. Many experiments have scanned their data for a pentaquark signal with varying results. Some searches resulted in evidence for the Θ+ while others fail to produce any narrow structure in the region of interest. Currently, a number of high statistics experiments are being evaluated with the goal to confirm or refute the existence of the Θ+. In this contribution the experimental status and further prospects will be discussed.

Jefferson Lab Experimental Hall C

NASA Astrophysics Data System (ADS)

Carlini, Roger D.

1996-10-01

Jefferson Lab's Hall C went into initial operation in November 1995. The hall has a short orbit spectrometer (SOS) for short-lived particles such as pions and kaons and a high-momentum spectrometer (HMS) usually used for electrons. The SOS can also be used for protons. The HMS can range to 7 GeV/c. Both the SOS and HMS have typical resolutions of (10-3). Experiments for this hall range from measuring the neutron electric form factor, to color transparency, to creating strange nuclei. This paper will present the optical capabilities of the spectrometers, the parameters of the detection systems, and the overall beam line characteristics of the hall as determined from the results from the recent physics experiments along with the upcoming experimental schedule. Additional information is available at URL http://www.cebaf.gov/hallc.html.

The low energy muon beam profile monitor for the muon g-2/EDM experiment at J-PARC

NASA Astrophysics Data System (ADS)

Razuvaev, G. P.; Bae, S.; Choi, H.; Choi, S.; Ko, H. S.; Kim, B.; Kitamura, R.; Mibe, T.; Otani, M.

2017-09-01

The muon g-2/EDM experiment at J-PARC aims to measure the muon anomalous magnetic moment and electric dipole moment with high precision by utilising an ultracold muon beam. The current muon g-2 discrepancy between the Standard Model prediction and the experimental value is about 3.5 standard deviations. This experiment requires a development of the muon LINAC to accelerate thermal muons to the 300 MeV/c momentum. Detectors for beam diagnostics play a key role in such an experiment. The beam profile monitoring system has been designed to measure the profile of the low energy muon beam. It was tested during two beam tests in 2016 at the MLF D2 line at J-PARC. The detector was used with positive muons, Mu-(μ+ e- e-), p and H-, e- and UV light. The system overview and preliminary results are given. Special attention is paid to the spatial resolution of the beam profile monitor and online monitor software used during data taking.

A Thermodynamic Approach for Modeling H2O-CO2 Solubility in Alkali-rich Mafic Magmas at Mid-crustal Pressures

NASA Astrophysics Data System (ADS)

Allison, C. M.; Roggensack, K.; Clarke, A. B.

2017-12-01

Volatile solubility in magmas is dependent on several factors, including composition and pressure. Mafic (basaltic) magmas with high concentrations of alkali elements (Na and K) are capable of dissolving larger quantities of H2O and CO2 than low-alkali basalt. The exsolution of abundant gases dissolved in alkali-rich mafic magmas can contribute to large explosive eruptions. Existing volatile solubility models for alkali-rich mafic magmas are well calibrated below 200 MPa, but at greater pressures the experimental data is sparse. To allow for accurate interpretation of mafic magmatic systems at higher pressures, we conducted a set of mixed H2O-CO2 volatile solubility experiments between 400 and 600 MPa at 1200 °C in six mafic compositions with variable alkali contents. Compositions include magmas from volcanoes in Italy, Antarctica, and Arizona. Results from our experiments indicate that existing volatile solubility models for alkali-rich mafic magmas, if extrapolated beyond their calibrated range, over-predict CO2 solubility at mid-crustal pressures. Physically, these results suggest that volatile exsolution can occur at deeper levels than what can be resolved from the lower-pressure experimental data. Existing thermodynamic models used to calculate volatile solubility at different pressures require two experimentally derived parameters. These parameters represent the partial molar volume of the condensed volatile species in the melt and its equilibrium constant, both calculated at a standard temperature and pressure. We derived these parameters for each studied composition and the corresponding thermodynamic model shows good agreement with the CO2 solubility data of the experiments. A general alkali basalt solubility model was also constructed by establishing a relationship between magma composition and the thermodynamic parameters. We utilize cation fractions from our six compositions along with four compositions from the experimental literature in a linear regression to generate this compositional relationship. Our revised general model provides a new framework to interpret volcanic data, yielding greater depths for melt inclusion entrapment than previously calculated using other models, and it can be applied to mafic magma compositions for which no experimental data is available.

Internal conversion coefficients of high multipole transitions: Experiment and theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerl, J.; Vijay Sai, K.; Sainath, M.

A compilation of the available experimental internal conversion coefficients (ICCs), {alpha}{sub T}, {alpha}{sub K}, {alpha}{sub L}, and ratios K/L and K/LM of high multipole (L > 2) transitions for a number of elements in the range 21 {<=} Z {<=} 94 is presented. Our listing of experimental data includes 194 data sets on 110 E3 transitions, 10 data sets on 6 E4 transitions, 11 data sets on 7 E5 transitions, 38 data sets on 21 M3 transitions, and 132 data sets on 68 M4 transitions. Data with less than 10% experimental uncertainty have been selected for comparison with the theoreticalmore » values of Hager and Seltzer [R.S. Hager, E.C. Seltzer, Nucl. Data Tables A 4 (1968) 1], Rosel et al. [F. Roesel, H.M. Fries, K. Alder, H.C. Pauli, At. Data Nucl. Data Tables 21 (1978) 91], and BRICC. The relative percentage deviations (%{delta}) have been calculated for each of the above theories and the averages (%{delta}-bar) are estimated. The Band et al. [I.M. Band, M.B. Trzhaskovskaya, C.W. Nestor Jr., P.O. Tikkanen, S. Raman, At. Data Nucl. Data Tables 81 (2002) 1] tables, using the BRICC interpolation code, are seen to give theoretical ICCs closest to experimental values.« less

An Experimental Examination of the Loss-of-Flow Accident Phenomenon for Prototypical ITER Divertor Channels of Y = 0 and Y = 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marshall, Theron D.; McDonald, Jimmie M.; Cadwallader, Lee C.

2000-01-15

This paper discusses the thermal response of two prototypical International Thermonuclear Experimental Reactor (ITER) divertor channels during simulated loss-of-flow-accident (LOFA) experiments. The thermal response was characterized by the time-to-burnout (TBO), which is a figure of merit on the mockups' survivability. Data from the LOFA experiments illustrate that (a) the pre-LOFA inlet velocity does not significantly influence the TBO, (b) the incident heat flux (IHF) does influence the TBO, and (c) a swirl tape insert significantly improves the TBO and promotes the initiation of natural circulation. This natural circulation enabled the mockup to absorb steady-state IHFs after the coolant circulation pumpmore » was disabled. Several methodologies for thermal-hydraulic modeling of the LOFA were attempted.« less

An experimental examination of the loss-of-flow accident phenomenon for prototypical ITER divertor channels of Y=0 and Y=2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marshall, T.D.; McDonald, J.M.; Cadwallader, L.C.

2000-01-01

This paper discusses the thermal response of two prototypical International Thermonuclear Experimental Reactor (ITER) divertor channels during simulated loss-of-flow-accident (LOFA) experiments. The thermal response was characterized by the time-to-burnout (TBO), which is a figure of merit on the mockups' survivability. Data from the LOFA experiments illustrate that (a) the pre-LOFA inlet velocity does not significantly influence the TBO, (b) the incident heat flux (IHF) does influence the TBO, and (c) a swirl tape insert significantly improves the TBO and promotes the initiation of natural circulation. This natural circulation enabled the mockup to absorb steady-state IHFs after the coolant circulation pumpmore » was disabled. Several methodologies for thermal-hydraulic modeling of the LOFA were attempted.« less

Productive extension of semantic memory in school-aged children: Relations with reading comprehension and deployment of cognitive resources.

PubMed

Bauer, Patricia J; Blue, Shala N; Xu, Aoxiang; Esposito, Alena G

2016-07-01

We investigated 7- to 10-year-old children's productive extension of semantic memory through self-generation of new factual knowledge derived through integration of separate yet related facts learned through instruction or through reading. In Experiment 1, an experimenter read the to-be-integrated facts. Children successfully learned and integrated the information and used it to further extend their semantic knowledge, as evidenced by high levels of correct responses in open-ended and forced-choice testing. In Experiment 2, on half of the trials, the to-be-integrated facts were read by an experimenter (as in Experiment 1) and on half of the trials, children read the facts themselves. Self-generation performance was high in both conditions (experimenter- and self-read); in both conditions, self-generation of new semantic knowledge was related to an independent measure of children's reading comprehension. In Experiment 3, the way children deployed cognitive resources during reading was predictive of their subsequent recall of newly learned information derived through integration. These findings indicate self-generation of new semantic knowledge through integration in school-age children as well as relations between this productive means of extension of semantic memory and cognitive processes engaged during reading. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

The influence of ultra-violet radiation on chicken hatching.

PubMed

Veterány, Ladislav; Hluchý, Svätoslav; Veterányová, Anna

2004-01-01

The influence of UV-B radiation on embryonic development of chickens Hampshire breed was investigated. The set eggs with the average weight of 60.0 +/- 0.5 g were divided into six groups. The chickens in the control group C were hatched in the darkness. The chicken embryos in experimental groups were, during their incubation, influenced by UV light: in E1 (1 h a day), in E2 (2h a day), in E3 (3 h a day), in E4 (4 h a day), and in E5 (5 h a day). After the experiment, we can state that UV radiation appealing on chickens embryos of shorter time (1-2 h) was reflected in decreasing embryonic mortality in experimental group E1 (1.27 +/- 0.14%), the embryonic development was accelerated and the weight of hatched chickens was increased in group E2 (492.43 +/- 5.02 h and 47.83 +/- 2.62 g, respectively). The negative influence of UV radiation was reflected while it is longer appealing on chickens embryos (for 3-5 h), mainly by increased embryonic mortality in groups E3 (10.27 +/- 1.65%), E4 (58.09 +/- 3.12%), and E5 (100.00 +/- 0.00%). The results obtained are highly significant (p<0.001) in comparison with a control group C, as well as, with the experimental groups E1 and E2.

First experimental results from 2 MeV proton tandem accelerator for neutron production.

PubMed

Kudryavtsev, A; Belchenko, Yu; Burdakov, A; Davydenko, V; Ivanov, A; Khilchenko, A; Konstantinov, S; Krivenko, A; Kuznetsov, A; Mekler, K; Sanin, A; Shirokov, V; Sorokin, I; Sulyaev, Yu; Tiunov, M

2008-02-01

A 2 MeV proton tandem accelerator with vacuum insulation was developed and first experiments are carried out in the Budker Institute of Nuclear Physics (Novosibirsk). The accelerator is designed for neutron production via reaction (7)Li(p,n)(7)Be for the boron neutron-capture therapy of the brain tumors, and for explosive detection based on 9.1724 MeV resonance gamma, which are produced via reaction (13)C(p,gamma)(14)N, absorption in nitrogen.

Experimental Investigation of the Short-Period Requirements of MIL-F-8785C. Volume 2.

DTIC Science & Technology

1986-11-01

instrument displays featuring an Attitude Direction Indicator (WDI) and a Horizontal Situation Indicator (HSI) as the primary instruments. The...34 + 2. w s + wi- eg sp sp The primary experiment matrix consisted of three short period fre- quency configurations at three values of (n/a). The points...radians per second. The cost fuction for each match was: NPTS cost= 11 [(AG i) 1 + W (AP)] where AGu X GainHo S - GainLOS [dB] Api = PhaseHOS _ PhaseLOS

TitaniQ in reverse: backing out the equilibrium solubility of titanium in quartz

NASA Astrophysics Data System (ADS)

Thomas, J. B.

2014-12-01

There is close agreement among three of the four experimental studies that have 'calibrated' the P-T dependencies of Ti-in-quartz solubility. New experiments were conducted to identify potential experimental disequilibrium, and determine which Ti-in-quartz solubility calibration is most accurate. Quartz and rutile were synthesized from SiO2- and TiO2saturated aqueous fluids in a forward-type experiment at 925°C and 10 kbar in a piston-cylinder apparatus. A range of crystal sizes was examined to determine if growth rate affected Ti incorporation in quartz. Cathodoluminescence (CL) images and electron microprobe measurements show that intercrystalline and intracrystalline variations in Ti concentrations are remarkably small regardless of crystal size. The average Ti-in-quartz concentration from the forward-type experiment is 392±1 ppm Ti, which is within 95% confidence interval of data from the 10 kbar isobar of Wark and Watson (2006) and Thomas et al. (2010). Quartz from the forward-type experiment was used as starting material for reversal-type experiments. The high-Ti quartz starting material was recrystallized at 925°C and 20 kbar to reduce the solubility of Ti in recrystallized quartz to the equilibrium solubility concentration of the reversed P-T condition. The 'dry' and 'wet' reversal experiments produced polycrystalline quartzites. Rutile occurs as inclusions in quartz, and as individual crystals dispersed along quartz/quartz grain boundaries. Quartz that recrystallized during the reversal-type experiment has substantially lower Ti concentrations than the quartz starting material because Ti solubility at 20 kbar is significantly lower than at 10 kbar. Dark cathodoluminescent quartz with low Ti concentrations shows that extensive quartz recrystallization occurred at the reversal P-T condition. The average Ti concentration in quartz from reversal experiments is 94±2 ppm Ti, which is within the 95% confidence interval of a linear fit to the 20 kbar data of Thomas et al. (2010). Thomas JB, Watson EB, Spear FS, Shemella FS, Nayak SK, Lanzirotti A (2010) Contrib Mineral Petrol 160:743-759 Wark DA, Watson EB (2006) Contrib Mineral Petrol 152:743-754

Decomposition of conifer tree bark under field conditions: effects of nitrogen and phosphorus additions

NASA Astrophysics Data System (ADS)

Lopes de Gerenyu, Valentin; Kurganova, Irina; Kapitsa, Ekaterina; Shorokhova, Ekaterina

2016-04-01

In forest ecosystems, the processes of decomposition of coarse woody debris (CWD) can contribute significantly to the emission component of carbon (C) cycle and thus accelerate the greenhouse effect and global climate change. A better understanding of decomposition of CWD is required to refine estimates of the C balance in forest ecosystems and improve biogeochemical models. These estimates will in turn contribute to assessing the role of forests in maintaining their long-term productivity and other ecosystems services. We examined the decomposition rate of coniferous bark with added nitrogen (N) and phosphorus (P) fertilizers in experiment under field conditions. The experiment was carried out in 2015 during 17 weeks in Moscow region (54o50'N, 37o36'E) under continental-temperate climatic conditions. The conifer tree bark mixture (ca. 70% of Norway spruce and 30% of Scots pine) was combined with soil and placed in piles of soil-bark substrate (SBS) with height of ca. 60 cm and surface area of ca. 3 m2. The dry mass ratio of bark to soil was 10:1. The experimental design included following treatments: (1) soil (Luvisols Haplic) without bark, (S), (2) pure SBS, (3) SBS with N addition in the amount of 1% of total dry bark mass (SBS-N), and (4) SBS with N and P addition in the amount of 1% of total dry bark mass for each element (SBS-NP). The decomposition rate expressed as CO2 emission flux, g C/m2/h was measured using closed chamber method 1-3 times per week from July to early November using LiCor 6400 (Nebraska, USA). During the experiment, we also controlled soil temperature at depths of 5, 20, 40, and 60 cm below surface of SBS using thermochrons iButton (DS1921G, USA). The pattern of CO2 emission rate from SBS depended strongly on fertilizing. The highest decomposition rates (DecR) of 2.8-5.6 g C/m2/h were observed in SBS-NP treatment during the first 6 weeks of experiment. The decay process of bark was less active in the treatment with only N addition. In this case the highest DecR of 1.9-4.1 g C/m2/h was observed in 2-7 weeks after the experiment started. The decay process of pure SBS treatment was slower than in SBS-N and SBS-NP. In this case, the maximal DecR varied between 1.8 and 3.6 g C/m2/h during 4-7 weeks. After 8-9 weeks of experiment, the DecR was almost the same in all SBS treatments and did not exceed 0.5-1.1 g C/m2/h. The DecR of pure soil was much lower compared to all SBS treatments and comprised 0.04-0.18 g C/m2/h. The total C loss from pure SBS amounted for 4.2 kg C/m2 while the fertilizer addition increased the intensity of bark decay by 37-48%. We observed higher rise of temperature during the experiment of SBS with N and P additions than in pure SBS. Concluding, the N and P amendments affected significantly both the pattern of CO2 emission rate and total C loss during decay processes of bark. This study was supported by the Russian Science Foundation (15-14-10023).

Lessons from forest FACE experiments provide guidance for Amazon-FACE science plan (Invited)

NASA Astrophysics Data System (ADS)

Norby, R. J.; Lapola, D. M.

2013-12-01

Free-air CO2 enrichment (FACE) experiments have provided novel insights into the ecological mechanisms controlling the cycling and storage of carbon in terrestrial ecosystems, and they provide a strong foundation for next-generation experiments in unexplored biomes. Specific lessons from FACE experiments include: (1) Carbon cycle responses are time-dependent because component processes have different rate constants: for example, net primary productivity is increased by elevated CO2, but the response may diminish with time as N cycling feedbacks become important. (2) Carbon partitioning patterns determine the fate of the extra C taken up by CO2-enriched plants, but partitioning responses remain an important challenge for ecosystem models. (3) The influence of N cycling on plant and ecosystem C cycling continues to be a critical uncertainty, and new experiments, especially in the tropics, must also consider P cycling. (4) Plant community structure can influence the ecosystem response to elevated CO2, but dynamic vegetation effects have not been adequately addressed. These experiences from FACE experiments in temperate forests are now guiding the development of a science plan for a FACE experiment in Amazonia. Models and small-scale experimental results agree that elevated CO2 will affect the metabolism of tropical ecosystems, but the qualitative and quantitative expression of the effects are largely unknown, representing a major source of uncertainty that limits our capacity to assess the vulnerability of the Amazon forest to climate change. Recognizing the high importance of the forests of the Amazon basin on global carbon, water, and energy cycles, biodiversity conservation, and the provision of essential services in Latin America, a consortium of Brazilian researchers and international collaborators have developed a science plan for Amazon-FACE. While the challenges presented both by infrastructure needs (roads, electricity, and provision of CO2) and biology (the size and diversity of the forest) are substantial, preliminary evaluation and past experience from temperate forest FACE experiments have supported the feasibility of an experiment comprising replicated 30-m diameter FACE plots in primary forest. The proposed site is the ZF2 research area 60 km north of Manaus and administered by Brazil's National Institute for Amazonia Research (INPA). The vegetation is representative of a dominant fraction of the forests occurring in the Amazon basin: old-growth closed-canopy terra firme (non-flooded) forest with trees 30-35 m in height on well drained clay soils. The major science questions guiding the experiment are closely informed by results of past FACE experiment and involve carbon metabolism, water use, nutrient cycling, interactions with environmental stressors, and the relationship between plant functional traits and community composition. FACE experiments can define ecological processes and mechanisms of responses for predictive models of ecosystem response, and models of CO2 response can define critical uncertainties and testable hypotheses for experiments; hence, the Amazon FACE experiment will feature a close integration of modeling and experimental approaches.

THE EXPERIMENTAL DESIGN FOR BeO IRAADIATION EXPERIMENTS ORNL 41-8 AND ORNL 41-9

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gardiner, D.A.

1962-07-18

The experimental plan for irradiating BeO pellets in Experiments ORNL 41- 8 and ORNL 41-9 was chosen in accordance with the principles of experimental design. The design is known by statisticians as a 2/sup 5/ factorial experiment confound'' in six replications. Five variables---size, density, grain size, temperature and time--are controlled at two levels to form the basic 2i factorial experiment. The sixth variable, neutron flux, is introduced by confounding on higher-order interactions. An explanation is presented in nontechnical language the means by which the aims of the experimenters and the physical conditions affecting the experiment were utilized in constructing themore » experimental design. (auth)« less

Vestibular Function Research (VFR) experiment. Phase B: Design definition study

NASA Technical Reports Server (NTRS)

1978-01-01

The Vestibular Functions Research (VFR) Experiment was established to investigate the neurosensory and related physiological processes believed to be associated with the space flight nausea syndrome and to develop logical means for its prediction, prevention and treatment. The VFR Project consists of ground and spaceflight experimentation using frogs as specimens. The phase B Preliminary Design Study provided for the preliminary design of the experiment hardware, preparation of performance and hardware specification and a Phase C/D development plan, establishment of STS (Space Transportation System) interfaces and mission operations, and the study of a variety of hardware, experiment and mission options. The study consist of three major tasks: (1) mission mode trade-off; (2) conceptual design; and (3) preliminary design.

Experimental determination of barium isotope fractionation during diffusion and adsorption processes at low temperatures

NASA Astrophysics Data System (ADS)

van Zuilen, Kirsten; Müller, Thomas; Nägler, Thomas F.; Dietzel, Martin; Küsters, Tim

2016-08-01

Variations in barium (Ba) stable isotope abundances measured in low and high temperature environments have recently received increasing attention. The actual processes controlling Ba isotope fractionation, however, remain mostly elusive. In this study, we present the first experimental approach to quantify the contribution of diffusion and adsorption on mass-dependent Ba isotope fractionation during transport of aqueous Ba2+ ions through a porous medium. Experiments have been carried out in which a BaCl2 solution of known isotopic composition diffused through u-shaped glass tubes filled with silica hydrogel at 10 °C and 25 °C for up to 201 days. The diffused Ba was highly fractionated by up to -2.15‰ in δ137/134Ba, despite the low relative difference in atomic mass. The time-dependent isotope fractionation can be successfully reproduced by a diffusive transport model accounting for mass-dependent differences in the effective diffusivities of the Ba isotope species (D137Ba /D134Ba =(m134 /m137) β). Values of β extracted from the transport model were in the range of 0.010-0.011. Independently conducted batch experiments revealed that adsorption of Ba onto the surface of silica hydrogel favoured the heavier Ba isotopes (α = 1.00015 ± 0.00008). The contribution of adsorption on the overall isotope fractionation in the diffusion experiments, however, was found to be small. Our results contribute to the understanding of Ba isotope fractionation processes, which is crucial for interpreting natural isotope variations and the assessment of Ba isotope ratios as geochemical proxies.

Calculational and Experimental Investigations of the Pressure Effects on Radical - Radical Cross Combinations Reactions: C2H5 + C2H3

NASA Technical Reports Server (NTRS)

Fahr, Askar; Halpern, Joshua B.; Tardy, Dwight C.

2007-01-01

Pressure-dependent product yields have been experimentally determined for the cross-radical reaction C2H5 + C2H3. These results have been extended by calculations. It is shown that the chemically activated combination adduct, 1-C4H8*, is either stabilized by bimolecular collisions or subject to a variety of unimolecular reactions including cyclizations and decompositions. Therefore the "apparent" combination/disproportionation ratio exhibits a complex pressure dependence. The experimental studies were performed at 298 K and at selected pressures between about 4 Torr (0.5 kPa) and 760 Torr (101 kPa). Ethyl and vinyl radicals were simultaneously produced by 193 nm excimer laser photolysis of C2H5COC2H3 or photolysis of C2H3Br and C2H5COC2H5. Gas chromatograph/mass spectrometry/flame ionization detection (GC/MS/FID) were used to identify and quantify the final reaction products. The major combination reactions at pressures between 500 (66.5 kPa) and 760 Torr are (1c) C2H5 + C2H3 yields 1-butene, (2c) C2H5 + C2H5 yields n-butane, and (3c) C2H3 + C2H3 yields 1,3-butadiene. The major products of the disproportionation reactions are ethane, ethylene, and acetylene. At moderate and lower pressures, secondary products, including propene, propane, isobutene, 2-butene (cis and trans), 1-pentene, 1,4-pentadiene, and 1,5-hexadiene are also observed. Two isomers of C4H6, cyclobutene and/or 1,2-butadiene, were also among the likely products. The pressure-dependent yield of the cross-combination product, 1-butene, was compared to the yield of n-butane, the combination product of reaction (2c), which was found to be independent of pressure over the range of this study. The [ 1-C4H8]/[C4H10] ratio was reduced from approx.1.2 at 760 Torr (101 kPa) to approx.0.5 at 100 Torr (13.3 kPa) and approx.0.1 at pressures lower than about 5 Torr (approx.0.7 kPa). Electronic structure and RRKM calculations were used to simulate both unimolecular and bimolecular processes. The relative importance of C-C and C-H bond ruptures, cyclization, decyclization, and complex decompositions are discussed in terms of energetics and structural properties. The pressure dependence of the product yields were computed and dominant reaction paths in this chemically activated system were determined. Both modeling and experiment suggest that the observed pressure dependence of [1-C4H8]/[C4H10] is due to decomposition of the chemically activated combination adduct 1-C4H8* in which the weaker allylic C-C bond is broken: H2C=CHCH2CH3 yields C3H5 + CH3. This reaction occurs even at moderate pressures of approx.200 Torr (26 kPa) and becomes more significant at lower pressures. The additional products detected at lower pressures are formed from secondary radical-radical reactions involving allyl, methyl, ethyl, and vinyl radicals. The modeling studies have extended the predictions of product distributions to different temperatures (200-700 K) and a wider range of pressures (10(exp -3) - 10(exp 5) Torr). These calculations indicate that the high-pressure [1-C4H8]/[C4H10] yield ratio is 1.3 +/- 0.1.

Experimental Determination of One-Atmosphere Phase Relations of Rhyodacite Pumice Erupted from Chaos Crags, Lassen Volcanic Center, California

NASA Astrophysics Data System (ADS)

Quinn, E. T.; Schwab, B. E.

2012-12-01

A series of one-atmosphere high-temperature anhydrous phase equilibrium melting experiments was performed on a natural rhyodacite pumice from the 1103±13 years BP pyroclastic flow from the Chaos Crags, Lassen Volcanic Center, California. The pumice (CCP) is the most silicic product known of the 1103 eruption of Chaos Crags. All experimental runs were performed in a Deltech VT-31 one-atmosphere gas-mixing furnace at the Experimental Petrology Lab, Humboldt State University, Arcata, California. Six ~90-99 hour runs were conducted at 35-55°C intervals, with target temperatures from 1000°C to 1200°C at the Ni-NiO buffer. The nominally anhydrous liquidus of the rhyodacite pumice is >1196°C and solidus is <998°C, outside the investigated temperature range. All experimental run products contain glass, plagioclase, quartz, and Fe-Ti oxides. Amphibole with breakdown textures is observed at temperatures ≤1159°C, and appears more stable in lower temperature runs. At 998°C, amphibole appears most stable, with only minor breakdown texture. Biotite, a major phase in starting material, is not observed in any run products. Based on comparison between experimental and natural phase assemblages and glass, plagioclase, and amphibole compositions, the Chaos Crags rhyodacite pumice erupted at a temperature <998°C, the lowest experimental run temperature investigated. Additional experimental runs at temperatures <998°C are currently being conducted.

C dbnd N sbnd N dbnd C conformational isomers of 2'-hydroxyacetophenone azine: FTIR matrix isolation and DFT study

NASA Astrophysics Data System (ADS)

Grzegorzek, Joanna; Mielke, Zofia; Filarowski, Aleksander

2010-07-01

2'-hydroxyacetophenone azine (APA) has been studied by matrix isolation infrared spectroscopy and quantum chemical calculations. The DFT/B3LYP/6-311++G(2d,2p) calculations demonstrated the existence of two conformers for the lowest energy E/ E configuration of APA, a s- trans and a gauche ones. The conformers are characterized by similar energies and differ in the value of a C dbnd N sbnd N dbnd C angle, that was calculated to be 180° for a planar s-trans conformer and 155° for a non-planar gauche one . The calculated barrier for conformational interconversion is also very low, ca. 1 kJ mol -1 for the conversion from a gauche conformer to a trans one. The FTIR spectra of an argon matrix doped with APA from a vapour above solid sample evidence the presence of both conformers that exhibit reversible interconversion at matrix temperatures. The comparison of the theoretical spectra with the experimental ones and reversible temperature dependence of the experimental spectra allowed for unambiguous spectroscopic characterization of the trans and gauche conformers. The experiment also demonstrated that a gauche conformer is more stable than a trans one. The spectra analysis indicates that transformation from a trans conformer to a gauche one weakens the intramolecular O sbnd H⋯N bonds in the molecule.

Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS

PubMed Central

Zhang, Rongchun; Ramamoorthy, Ayyalusamy

2016-01-01

Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D 1H/13C/1H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t1 and t3 periods, respectively. In addition to through-space and through-bond 13C/1H and 13C/13C chemical shift correlations, the 3D 1H/13C/1H experiment also provides a COSY-type 1H/1H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices (1H/1H chemical shift correlation spectrum) at different 13C chemical shift frequencies from the 3D 1H/13C/1H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the 3D 1H/13C/1H experiment would be useful to study the structure and dynamics of a variety of chemical and biological solids. PMID:26801026

Mutual orientation of three magnetic tensors in a polycrystalline dipeptide by dipole-modulated 15N chemical shift spectroscopy

NASA Astrophysics Data System (ADS)

Hartzell, C. J.; Pratum, T. K.; Drobny, G.

1987-10-01

This study demonstrates the mutual orientation of three tensor interactions in a single NMR experiment. The orientation of the 15N chemical shift tensor relative to the molecular frame has thus been determined in polycrystalline L-[1-13C] alanyl-L-[15N] alanine. The 13C-15N and 15N-1H dipole interactions are determined using the 1H dipole-modulated, 13C dipole-coupled 15N spectrum obtained as a transform of the data in t2. From simulations of the experimental spectra, two sets of polar angles have been determined relating the 13C-15N and 15N-1H dipoles to the 15N chemical shift tensor. The values determined are βCN =106°, αCN =5° and βNH =-19°, αNH =12°. The experiment verifies, without reference to single crystal data, that σ33 lies in the peptide plane and σ22 is nearly perpendicular to the plane.

Americium-241 integral radiative capture cross section in over-moderated neutron spectrum from pile oscillator measurements in the Minerve reactor

NASA Astrophysics Data System (ADS)

Geslot, Benoit; Gruel, Adrien; Ros, Paul; Blaise, Patrick; Leconte, Pierre; Noguere, Gilles; Mathieu, Ludovic; Villamarin, David; Becares, Vicente; Plompen, Arjan; Kopecky, Stefan; Schillebeeckx, Peter

2017-09-01

An experimental program, called AMSTRAMGRAM, was recently conducted in the Minerve low power reactor operated by CEA Cadarache within the frame of the CHANDA initiative (Solving CHAllenges in Nuclear Data). Its aim was to measure the integral capture cross section of 241Am in the thermal domain. Motivation of this work is driven by large differences in this actinide thermal point reported by major nuclear data libraries. The AMSTRAMGRAM experiment, that made use of well characterized EC-JRC americium samples, was based on the oscillation technique commonly implemented in the Minerve reactor. First results are presented and discussed in this article. A preliminary calculation scheme was used to compare measured and calculated results. It is shown that this work confirms a bias previously observed with JEFF-3.1.1 (C/E-1 = -10.5 ± 2%). On the opposite, the experiment is in close agreement with 241Am thermal point reported in JEFF-3.2 (C/E-1 = 0.5 ± 2%).

Field experimental data for crop modeling of wheat growth response to nitrogen fertilizer, elevated CO2, water stress, and high temperature

USDA-ARS?s Scientific Manuscript database

Field experimental data of five experiments covering a wide range Field experimental data of five experiments covering a wide range of growing conditions are assembled for wheat growth and cropping systems modeling. The data include (i) an experiment on interactive effects of elevated CO2 by water a...

Absolute calibration of neutron detectors on the C-2U advanced beam-driven FRC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magee, R. M., E-mail: rmagee@trialphaenergy.com; Clary, R.; Korepanov, S.

2016-11-15

In the C-2U fusion energy experiment, high power neutral beam injection creates a large fast ion population that sustains a field-reversed configuration (FRC) plasma. The diagnosis of the fast ion pressure in these high-performance plasmas is therefore critical, and the measurement of the flux of neutrons from the deuterium-deuterium (D-D) fusion reaction is well suited to the task. Here we describe the absolute, in situ calibration of scintillation neutron detectors via two independent methods: firing deuterium beams into a high density gas target and calibration with a 2 × 10{sup 7} n/s AmBe source. The practical issues of each methodmore » are discussed and the resulting calibration factors are shown to be in good agreement. Finally, the calibration factor is applied to C-2U experimental data where the measured neutron rate is found to exceed the classical expectation.« less

Absolute calibration of neutron detectors on the C-2U advanced beam-driven FRC.

PubMed

Magee, R M; Clary, R; Korepanov, S; Jauregui, F; Allfrey, I; Garate, E; Valentine, T; Smirnov, A

2016-11-01

In the C-2U fusion energy experiment, high power neutral beam injection creates a large fast ion population that sustains a field-reversed configuration (FRC) plasma. The diagnosis of the fast ion pressure in these high-performance plasmas is therefore critical, and the measurement of the flux of neutrons from the deuterium-deuterium (D-D) fusion reaction is well suited to the task. Here we describe the absolute, in situ calibration of scintillation neutron detectors via two independent methods: firing deuterium beams into a high density gas target and calibration with a 2 × 10 7 n/s AmBe source. The practical issues of each method are discussed and the resulting calibration factors are shown to be in good agreement. Finally, the calibration factor is applied to C-2U experimental data where the measured neutron rate is found to exceed the classical expectation.

Physical and chemical behavior of flowing endothermic jet fuels

NASA Astrophysics Data System (ADS)

Ward, Thomas Arthur

Hydrocarbon fuels have been used as cooling media for aircraft jet engines for decades. However, modern aircraft engines are reaching a practical heat transfer limit beyond which the convective heat transfer provided by fuels is no longer adequate. One solution is to use an endothermic fuel that absorbs heat through a series of pyrolytic chemical reactions. However, many of the physical and chemical processes involved in endothermic fuel degradation are not well understood. The purpose of this dissertation is to study different characteristics of endothermic fuels using experiments and computational models. In the first section, data from three flow experiments using heated Jet-A fuel and additives were analyzed (with the aid of CFD calculations) to study the effects of treated surfaces on surface deposition. Surface deposition is the primary impediment in creating an operational endothermic fuel heat exchanger system, because deposits can obstruct fuel pathways causing a catastrophic system failure. As heated fuel flows through a fuel system, trace species within the fuel react with dissolved O2 to form surface deposits. At relatively higher fuel temperatures, the dissolved O2 is depleted, and pyrolytic chemistry becomes dominant (at temperatures greater than ˜500 °C). In the first experiment, the dissolved O2 consumption of heated fuel was measured on different surface types over a range of temperatures. It is found that use of treated tubes significantly delays oxidation of the fuel. In the second experiment, the treated length of tubing was progressively increased, which varied the characteristics of the thermal-oxidative deposits formed. In the third experiment, pyrolytic surface deposition in either fully treated or untreated tubes is studied. It is found that the treated surface significantly reduced the formation of surface deposits for both thermal oxidative and pyrolytic degradation mechanisms. Moreover, it is found that the chemical reactions resulting in pyrolytic deposition on the untreated surface are more sensitive to pressure level than those causing pyrolytic deposition on the treated surface. The second section describes the development of a two-dimensional computational model of the heat and mass transport associated with a flowing fuel using a unique global chemical kinetics model. This model calculates the changing flow properties of a supercritical reacting fuel by use of experimentally derived proportional product distributions. The third section studies the effects of pressure on flowing; mildly-cracked, supercritical n-decane. The experimental results are studied with the aid of the computational model described in section 2, expanded to deal with variable pressures. The experiments indicate that increasing pressure enhances the processes in which n-decane converts to (C5--C9) n-alkane products instead of decomposing into lower molecular weight products (C1--C4): Increasing pressure also increases the overall conversion rate of supercritical n-decane flowing through a reactor. Computational modeling of the experiment shows how the flow properties are influenced by pressure. (Abstract shortened by UMI.)

Optimization of the medium for Lactobacillus acidophilus by Plackett-Burman and steepest ascent experiment.

PubMed

Chen, He; Niu, Jinfeng; Qin, Tao; Ma, Qi; Wang, Lei; Shu, Guowei

2015-01-01

Lactobacillus acidophilus not only improves the intestinal flora balance but also inhabits the growth of undesirable microorganisms in intestine, which is benefit to the health of humans and animals. Plackett-Burman and steepest ascent experiment are the rapid and concise ways of screening the main effective factors. This study is aimed to select the main influence factors and optimize the medium for Lactobacillus acidophilus by Plackett-Burman experiment and steepest ascent experiment. The ideal carbon source was screened among glucose, maltose, lactose and whey powder, and the ideal nitrogen source was screened among casein hydrolysate, peptone, yeast extract powder, fish meal, carbamide, ammonium sulfate and sodium nitrate by single factor experiment. Plackett-Burman and steepest ascent experiment were applied to screen the main effective factors of Lactobacillus acidophilus among peptone, beef extract, yeast extract powder, glucose, K2HPO4, C6H14O7N2, CH3COONa, MgSO4 and Tween-80. Result. The results indicated that glucose (p = 0.01510) as negative factor and K2HPO4 (p = 0.02017) as positive effect were the significant growth factors of Lactobacillus acidophilus, CH3COONa (p = 0.09273) as positive effect was an important factor, and the optimized medium was as follows: glucose - 21 g/L, K2HPO4 - 3.5 g/L, CH3COONa - 6.5 g/L, peptone - 10 g/L, beef extract - 8 g/L, yeast extract pow. nd. Lactobacillus acidophilus not only improves the intestinal flora balance but also inhabits the growth of undesirable microorganisms in intestine, which is benefit to the health of humans and animals. Plackett-Burman and steepest ascent experiment are the rapid and concise ways of screening the main effective factors. This study is aimed to select the main influence factors and optimize the medium for Lactobacillus acidophilus by Plackett-Burman experiment and steepest ascent experiment. Material and methods. The ideal carbon source was screened among glucose, maltose, lactose and whey powder, and the ideal nitrogen source was screened among casein hydrolysate, peptone, yeast extract powder, fish meal, carbamide, ammonium sulfate and sodium nitrate by single factor experiment. Plackett-Burman and steepest ascent experiment were applied to screen the main effective factors of Lactobacillus acidophilus among peptone, beef extract, yeast extract powder, glucose, K2HPO4, C6H14O7N2, CH3COONa, MgSO4 and Tween-80. Result. The results indicated that glucose (p = 0.01510) as negative factor and K2HPO4 (p = 0.02017) as positive effect were the significant growth factors of Lactobacillus acidophilus, CH3COONa (p = 0.09273) as positive effect was an important factor, and the optimized medium was as follows: glucose - 21 g/L, K2HPO4 - 3.5 g/L, CH3COONa - 6.5 g/L, peptone - 10 g/L, beef extract - 8 g/L, yeast extract powder - 8 g/L, C6H14O7N2 - 2 g/L, MgSO4 - 0.2 g/L and Tween-80 - 1 mL/L when the maximum viable count could achieve 2.72·109 cfu/mL. The experimental model is reliable and the experimental results are of good stability. Variance analysis is performed to determine the adequacy and significance of the linear model. Thus, Plackett-Burman and steepest ascent experiment improve the veracity of optimization the medium for Lactobacillus acidophilus compared with the previous research.

An Experimental Analysis of Another Privacy

ERIC Educational Resources Information Center

Okouchi, Hiroto

2006-01-01

The present article discusses how events outside a subject's skin and not accessible to another subject but to an experimenter may contribute to experimental analyses of private events. Of 16 undergraduates, 8, referred to as instructors, first learned conditional discriminations (i.e., B1C1, B2C2, B3C3, and B4C4) in a standard matching-to-sample…

Modeling and multi-response optimization of pervaporation of organic aqueous solutions using desirability function approach.

PubMed

Cojocaru, C; Khayet, M; Zakrzewska-Trznadel, G; Jaworska, A

2009-08-15

The factorial design of experiments and desirability function approach has been applied for multi-response optimization in pervaporation separation process. Two organic aqueous solutions were considered as model mixtures, water/acetonitrile and water/ethanol mixtures. Two responses have been employed in multi-response optimization of pervaporation, total permeate flux and organic selectivity. The effects of three experimental factors (feed temperature, initial concentration of organic compound in feed solution, and downstream pressure) on the pervaporation responses have been investigated. The experiments were performed according to a 2(3) full factorial experimental design. The factorial models have been obtained from experimental design and validated statistically by analysis of variance (ANOVA). The spatial representations of the response functions were drawn together with the corresponding contour line plots. Factorial models have been used to develop the overall desirability function. In addition, the overlap contour plots were presented to identify the desirability zone and to determine the optimum point. The optimal operating conditions were found to be, in the case of water/acetonitrile mixture, a feed temperature of 55 degrees C, an initial concentration of 6.58% and a downstream pressure of 13.99 kPa, while for water/ethanol mixture a feed temperature of 55 degrees C, an initial concentration of 4.53% and a downstream pressure of 9.57 kPa. Under such optimum conditions it was observed experimentally an improvement of both the total permeate flux and selectivity.

An ontology of scientific experiments

PubMed Central

Soldatova, Larisa N; King, Ross D

2006-01-01

The formal description of experiments for efficient analysis, annotation and sharing of results is a fundamental part of the practice of science. Ontologies are required to achieve this objective. A few subject-specific ontologies of experiments currently exist. However, despite the unity of scientific experimentation, no general ontology of experiments exists. We propose the ontology EXPO to meet this need. EXPO links the SUMO (the Suggested Upper Merged Ontology) with subject-specific ontologies of experiments by formalizing the generic concepts of experimental design, methodology and results representation. EXPO is expressed in the W3C standard ontology language OWL-DL. We demonstrate the utility of EXPO and its ability to describe different experimental domains, by applying it to two experiments: one in high-energy physics and the other in phylogenetics. The use of EXPO made the goals and structure of these experiments more explicit, revealed ambiguities, and highlighted an unexpected similarity. We conclude that, EXPO is of general value in describing experiments and a step towards the formalization of science. PMID:17015305

A study of the interacting effects of elevated temperature and CO2 on the skeletal growth of two Caribbean coral species

NASA Astrophysics Data System (ADS)

Langdon, C.; Baker, A.; Jones, P.

2011-12-01

A study was conducted to investigate how corals may be impacted by the combination of rising temperature and declining pH. In a fully crossed experimental design two important Caribbean reef-building coral species Acropora cervicornis and Montastraea faveolata were exposed to combinations of a normal (26°C) and elevated (32°C) temperature and normal (380 ppm) and elevated (800 ppm) CO2 level. Nine colonies of each species were placed in eight tanks. Two tanks were assigned to each of the four temperature and CO2 combinations. The CO2 level was controlled by bubbling with either outside air or outside air enriched with CO2 gas to achieve the desired CO2 concentration in the tank. Corals were pre-conditioned for 39 days under 26°C and 380 ppm. The temperature and CO2 in the experimental tanks was then ramped up at a rate of 0.3°C and 30 ppm per day over a two week period. The skeletal growth of the corals was measured weekly over 62 days using an optical or laser micrometer. At the end of the high temperature and CO2 part the experiment the ability of the corals to recover from these stressful conditions was examined for 56 days. The CO2 in the high CO2 tanks was reduced to 380 ppm and the temperature in the 32°C 380 tanks was reduced to 26°C. This experiment is our second attempt to measure short term changes in skeletal growth as a function of temperature and CO2. In the first year none of the corals grew. We eventually discovered that supplemental feeding was necessary. The results of the second year's experiment are interesting but exhibit a great deal of variability. Forty-four percent of A. cervicornis colonies exhibited a decline in growth of 45% and seventy-seven percent of the M. faveolata colonies experienced a decline of 44% under 800 ppm and recovered quickly when the CO2 was lowered to 380 ppm during the recovery phase. However, the other colonies either failed to grow at all, showed no response to CO2 or seemed to grow more quickly under elevated CO2. The variability may be a result of the technical difficulties of measuring very small changes in height that we are still working out or could reflect that skeletal growth is a much more complex process than calcification. All A. cervicornis colonies exposed to 32°C bleached and died within a few weeks regardless of the CO2 level. The M. faveolata colonies paled but did not bleach at 32°C and 380 or 800 ppm even after 17 weeks. Growth at 32°C and 380 or 800 ppm was not significantly different from zero. When conditions in the 32°C and 380 ppm or 32°C and 800 ppm tanks were changed to 26°C and 380 ppm all the M. faveolata colonies quickly recovered to pre-experiment growth rates. We conclude that by the end of the century conditions could reach the point that A. cervicornis will not be able to survive, i.e. summer conditions will result in large percentage of the colonies bleaching and dying. The situation for M. faveolata is that colonies will be able to survive but might grow at 45% of present day rates during the cooler months of the year and not at all during the hottest parts of the summer.

The effect of copper on the estimation of sulfur fugacity from the composition of pyrrhotite: an experimental evaluation

NASA Astrophysics Data System (ADS)

Mengason, M. J.; Piccoli, P. M.; Candela, P. A.

2009-12-01

Sulfur fugacity is a critical intensive variable, important to the study of volcanic and plutonic rocks, and experimental systems. In a pioneering study, Toulmin and Barton (1964; GCA 28, 641) derived an equation, based on experimental data, for the relationship between fS2, temperature, and the composition of pyrrhotite (po), a common magmatic sulfide. The binary po solid solution (FeS-S2) was the object of their study; however, po frequently contains in excess of 1 wt. % Cu, and therefore further work has been required to account for the effect of additional phase components in po on the estimation of fS2 by this technique. In order to have consistent results from both Cu-free, and Cu-bearing po, one must properly formulate the Cu-bearing phase component of the po. Toward this end, we have designed a novel series of experiments that allow us to evaluate the relationship between the composition of Cu-Fe sulfides and fS2. Results of these experiments have been used to develop a simple method for the determination of the fS2 from Cu-bearing po and the equations of Toulmin and Barton. The experiments were performed in evacuated sealed silica tubes. Starting materials included pairs of separated reference (Cu-free), and Cu-bearing po in the presence of a common S2 gas phase (and therefore the same fS2). Experiments consisted of silica tubes loaded with mixtures of synthetic po and bornite separated by ~ 1mm thick silica discs, creating vertically stacked chambers. The chambers prevent contact of the separate condensed phase charges, but allow for gas transfer. Samples were heated in a vertical quench furnace at 1050°C for 16 to 24 hours followed by 5 days at 1000°C, concluding with a drop quench into a water bath. The experiments spanned 4 log units (bar) fS2 and the Cu-bearing po had Cu concentrations that ranged from 4.5 to 7.3 wt. %. The data were processed using three methods for incorporating Cu into the calculation, with effectiveness evaluated by deviations in calculated fugacity between pairs of Cu-bearing and Cu-free po. In method 1, the Cu concentration was omitted from the calculation and XFeS (FeS-S2) alone was input into the equation of Toulmin and Barton. In method 2, ideal mixing was assumed and the sum of XCuS + XFeS (FeS-CuS-S2) was substituted for XFeS in the equation of Toulmin and Barton. In method 3, XCuS0.5+ XFeS (FeS-CuS0.5-S2) was substituted for XFeS. Method 1 resulted in overestimates ranging from 1.1 to 1.6 log units fS2; method 2 resulted in underestimates ranging from 0.4 to 1.7; and method 3 performed best, with deviations ranging from -0.02 to 0.4. The results of these experiments suggest that incorporating Cu into the model of Toulmin and Barton as CuS0.5 is appropriate in producing accurate estimates of fS2 in igneous and experimental systems.

Glass Formation, Phase Equilibria, and Thermodynamic Assessment of the Al-Ce-Co System Assisted by First-Principles Energy Calculations

NASA Astrophysics Data System (ADS)

Gao, Michael C.; Ünlü, Necip; Mihalkovic, Marek; Widom, Michael; Shiflet, G. J.

2007-10-01

This study investigates glass formation, phase equilibria, and thermodynamic descriptions of the Al-rich Al-Ce-Co ternary system using a novel approach that combines critical experiments, CALPHAD modeling, and first-principles (FP) calculations. The glass formation range (GFR) and a partial 500 °C isotherm are determined using a range of experimental techniques including melt spinning, transmission electron microscopy (TEM), electron probe microanalysis (EPMA), X-ray diffraction, and differential thermal analysis (DTA). Three stable ternary phases are confirmed, namely, Al8CeCo2, Al4CeCo, and AlCeCo, while a metastable phase, Al5CeCo2, was discovered. The equilibrium and metastable phases identified by the present and earlier reported experiments, together with many hypothetical ternary compounds, are further studied by FP calculations. Based on new experimental data and FP calculations, the thermodynamics of the Al-rich Al-Co-Ce system is optimized using the CALPHAD method. Application to glass formation is discussed in light of present studies.

Experimental Constraints on Hot Spring Fluid Chemistry in Back Arc Basins

NASA Astrophysics Data System (ADS)

Schaen, A. T.; Saccocia, P. J.; Seewald, J.

2010-12-01

Many axial hot springs from back-arc basins are characterized by low pH and high metal concentrations compared to fluids from the mid-ocean ridge. Such differences are likely related to the presence of felsic crust and the involvement of acidic magmatic fluids in back-arc hydrothermal systems. Previous experiments that reacted fresh andesite with seawater at elevated T and P yielded pH values significantly higher than those observed in back-arc basin hot springs. Moreover, ocean drilling beneath back-arc basin hot springs revealed acid-sulfate alteration assemblages, suggesting at least transient involvement of magmatic fluids. Here we report the results of two laboratory experiments designed to assess fluid chemistry in equilibrium with acid-sulfate alteration assemblages at sub-seafloor conditions typically associated with back-arc hot springs. Both experiments reacted a K-Ca-Na-Cl fluid with a pyrophyllite-pyrite-anhydrite-quartz assemblage (PPAQ). In addition, alunite was added to the assemblage in one experiment (PPAQA). Both experiments were conducted in a flexible-cell hydrothermal apparatus utilizing an inert Au-Ti reaction cell. Fluid samples were withdrawn from the reaction cell as a function of time and temperature and analyzed for major anions, cations, pH (25C), H2, and H2S to monitor reaction progress. In the PPAQ experiment, pH varied from 3.1 to 3.4 from 350 to 365C at 0.25 Kb. At 385C, 0.26 Kb, pH dropped to 2.74, close to the value observed in many BAB hot springs. H2S varied from 2 mmol/kg at 350C, 0.25 Kb to 11 mmol/kg at 385C, 0.26 Kb. In general, K decreased and Ca increased with increasing T and decreasing P while SO4 remained low (<1 mmol/kg). In the PPAQA experiment, fluid pH was much lower, varying from 2.2 to 1.5 from 250 to 350C, 0.25 Kb. H2S was low (<1 mmol/kg) at these same conditions. Similarly, H2 was <0.003 mmol/kg, consistent with relatively oxidizing conditions. K concentration remained nearly constant while Ca increased with decreasing T. SO4 varied inversely with Ca, varying from 35 to 4 mmol/kg from 350 to 250C, respectively. Thus, the presence of alunite in the alteration assemblage yields an extremely acid fluid, depleted in H2S and enriched in SO4 compared to fluids from the PPAQ experiment. These results suggest that the composition of hot spring fluids from back-arc environments is consistent with fluid-mineral equilibria involving acid-sulfate mineral assemblages. Such assemblages may be produced by previous episodes of magmatic degassing. Accordingly, the presence of highly acidic vent fluids may reflect an important role for magmatic fluids during crustal alteration processes, but does not require the presence of an actively degassing magma chamber.

Treatment Heterogeneity and Individual Qualitative Interaction

DTIC Science & Technology

2011-08-01

however, are not always practical to implement in many applications (cf., Brown 1980 ; Senn 2001). For instance, in applications like the data...t2 Experimental Units,” Biometrics, 24, 61– 73. Brown, B. W. ( 1980 ), “The Crossover Experiment for Clinical Trials,” Biometrics, 36, 69–79...W. W., Hyslop , T., Mei-Ling, C., Patnaik, R., and Williams, R. L. (2000), “Subject-by- Formulation Interaction in Bioequivalence: Conceptual and

In vitro experimental environments lacking or containing soil disparately affect competition experiments of Aspergillus flavus and co-occurring fungi in maize grains.

PubMed

Falade, Titilayo D O; Syed Mohdhamdan, Sharifah H; Sultanbawa, Yasmina; Fletcher, Mary T; Harvey, Jagger J W; Chaliha, Mridusmita; Fox, Glen P

2016-07-01

In vitro experimental environments are used to study interactions between microorganisms, and to predict dynamics in natural ecosystems. This study highlights that experimental in vitro environments should be selected to match closely the natural environment of interest during in vitro studies to strengthen extrapolations about aflatoxin production by Aspergillus and competing organisms. Fungal competition and aflatoxin accumulation were studied in soil, cotton wool or tube (water-only) environments, for Aspergillus flavus competition with Penicillium purpurogenum, Fusarium oxysporum or Sarocladium zeae within maize grains. Inoculated grains were incubated in each environment at two temperature regimes (25 and 30°C). Competition experiments showed interaction between the main effects of aflatoxin accumulation and the environment at 25°C, but not so at 30°C. However, competition experiments showed fungal populations were always interacting with their environments. Fungal survival differed after the 72-h incubation in different experimental environments. Whereas all fungi incubated within the soil environment survived, in the cotton wool environment none of the competitors of A. flavus survived at 30°C. With aflatoxin accumulation, F. oxysporum was the only fungus able to interdict aflatoxin production at both temperatures. This occurred only in the soil environment and fumonisins accumulated instead. Smallholder farmers in developing countries face serious mycotoxin contamination of their grains, and soil is a natural reservoir for the associated fungal propagules, and a drying and storage surface for grains on these farms. Studying fungal dynamics in the soil environment and other environments in vitro can provide insights into aflatoxin accumulation post-harvest.

Experimental study of hybrid interface cooling system using air ventilation and nanofluid

NASA Astrophysics Data System (ADS)

Rani, M. F. H.; Razlan, Z. M.; Bakar, S. A.; Desa, H.; Wan, W. K.; Ibrahim, I.; Kamarrudin, N. S.; Bin-Abdun, Nazih A.

2017-09-01

The hybrid interface cooling system needs to be established to chill the battery compartment of electric car and maintained its ambient temperature inside the compartment between 25°C to 35°C. The air cooling experiment has been conducted to verify the cooling capacity, compressor displacement volume, dehumidifying value and mass flow rate of refrigerant (R-410A). At the same time, liquid cooling system is analysed theoretically by comparing the performance of two types of nanofluid, i.e., CuO + Water and Al2O3 + Water, based on the heat load generated inside the compartment. In order for the result obtained to be valid and reliable, several assumptions are considered during the experimental and theoretical analysis. Results show that the efficiency of the hybrid interface cooling system is improved as compared to the individual cooling system.

Experience with high performance V/STOL fighter projects at MBB

NASA Technical Reports Server (NTRS)

Aulehla, F.; Kissel, G. K.

1981-01-01

Flight control systems and aerodynamic aspects of experimental V/STOL aircraft are discussed. The VJ 101 C featured tilting engines for increased thrust, reheat for takeoff, simple translation, triangular decentralization of the engines for thrust modulation, and moderate ground effects. Two experimental aircraft were built, with and without reheat, capable of Mach 2 and Mach 1.04, respectively. The mechanical flight control system and tests are outlined, both for hover rig and flight configurations. Ground suction, acoustic and thermal loading, sodium silicate coatings to avoid ground corrosion, and recirculation are considered. Results of the follow-on project to the VJ 101 C, the AVS, which was developed by NASA, are reviewed, and it is noted that trends toward thrust-to-weight ratios exceeding one, in concert with low wing loading, favor the development of V/STOL aircraft.

Predicting the performance uncertainty of a 1-MW pilot-scale carbon capture system after hierarchical laboratory-scale calibration and validation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Zhijie; Lai, Canhai; Marcy, Peter William

2017-05-01

A challenging problem in designing pilot-scale carbon capture systems is to predict, with uncertainty, the adsorber performance and capture efficiency under various operating conditions where no direct experimental data exist. Motivated by this challenge, we previously proposed a hierarchical framework in which relevant parameters of physical models were sequentially calibrated from different laboratory-scale carbon capture unit (C2U) experiments. Specifically, three models of increasing complexity were identified based on the fundamental physical and chemical processes of the sorbent-based carbon capture technology. Results from the corresponding laboratory experiments were used to statistically calibrate the physical model parameters while quantifying some of theirmore » inherent uncertainty. The parameter distributions obtained from laboratory-scale C2U calibration runs are used in this study to facilitate prediction at a larger scale where no corresponding experimental results are available. In this paper, we first describe the multiphase reactive flow model for a sorbent-based 1-MW carbon capture system then analyze results from an ensemble of simulations with the upscaled model. The simulation results are used to quantify uncertainty regarding the design’s predicted efficiency in carbon capture. In particular, we determine the minimum gas flow rate necessary to achieve 90% capture efficiency with 95% confidence.« less

Status of double beta decay experiments using isotopes other than 136Xe

NASA Astrophysics Data System (ADS)

Pandola, L.

2014-09-01

Neutrinoless double beta decay is a lepton-number violating process predicted by many extensions of the standard model. It is actively searched for in several candidate isotopes within many experimental projects. The status of the experimental initiatives which are looking for the neutrinoless double beta decay in isotopes other than 136Xe is reviewed, with special emphasis given to the projects that passed the R&D phase. The results recently released by the experiment GERDA are also summarized and discussed. The GERDA data give no positive indication of neutrinoless double beta decay of 76Ge and disfavor in a model-independent way the long-standing observation claim on the same isotope. The lower limit reported by GERDA for the half-life of neutrinoless double beta decay of 76Ge is T1/20ν > 2.1 ṡ1025 yr (90% C.L.), or T1/20ν > 3.0 ṡ1025 yr, when combined with the results of other 76Ge predecessor experiments.

Sensitivity Gains, Linearity, and Spectral Reproducibility in Nonuniformly Sampled Multidimensional MAS NMR Spectra of High Dynamic Range.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suiter, Christopher L.; Paramasivam, Sivakumar; Hou, Guangjin

Recently, we have demonstrated that considerable inherent sensitivity gains are attained in MAS NMR spectra acquired by nonuniform sampling (NUS) and introduced maximum entropy interpolation (MINT) processing that assures the linearity of transformation between the time and frequency domains. In this report, we examine the utility of the NUS/MINT approach in multidimensional datasets possessing high dynamic range, such as homonuclear 13C–13C correlation spectra. We demonstrate on model compounds and on 1–73-(U-13C,15N)/74–108-(U-15N) E. coli thioredoxin reassembly, that with appropriately constructed 50 % NUS schedules inherent sensitivity gains of 1.7–2.1-fold are readily reached in such datasets. We show that both linearity andmore » line width are retained under these experimental conditions throughout the entire dynamic range of the signals. Furthermore, we demonstrate that the reproducibility of the peak intensities is excellent in the NUS/MINT approach when experiments are repeated multiple times and identical experimental and processing conditions are employed. Finally, we discuss the principles for design and implementation of random exponentially biased NUS sampling schedules for homonuclear 13C–13C MAS correlation experiments that yield high quality artifact-free datasets.« less

Sensitivity gains, linearity, and spectral reproducibility in nonuniformly sampled multidimensional MAS NMR spectra of high dynamic range

PubMed Central

Suiter, Christopher L.; Paramasivam, Sivakumar; Hou, Guangjin; Sun, Shangjin; Rice, David; Hoch, Jeffrey C.; Rovnyak, David

2014-01-01

Recently, we have demonstrated that considerable inherent sensitivity gains are attained in MAS NMR spectra acquired by nonuniform sampling (NUS) and introduced maximum entropy interpolation (MINT) processing that assures the linearity of transformation between the time and frequency domains. In this report, we examine the utility of the NUS/MINT approach in multidimensional datasets possessing high dynamic range, such as homonuclear 13C–13C correlation spectra. We demonstrate on model compounds and on 1–73-(U-13C, 15N)/74–108-(U-15N) E. coli thioredoxin reassembly, that with appropriately constructed 50 % NUS schedules inherent sensitivity gains of 1.7–2.1-fold are readily reached in such datasets. We show that both linearity and line width are retained under these experimental conditions throughout the entire dynamic range of the signals. Furthermore, we demonstrate that the reproducibility of the peak intensities is excellent in the NUS/MINT approach when experiments are repeated multiple times and identical experimental and processing conditions are employed. Finally, we discuss the principles for design and implementation of random exponentially biased NUS sampling schedules for homonuclear 13C–13C MAS correlation experiments that yield high-quality artifact-free datasets. PMID:24752819

Chemistry of Titan's Aerosols : Correlation of The C/n &C/h Ratios To Pressure and Temperature

NASA Astrophysics Data System (ADS)

Bernard, J.-M.; Coll, P.; Raulin, F.

The gas present in Titan's atmosphere are forming organics aerosols under action of the solar radiations and of electrons from Saturn's magnetosphere. Many experimental simulations are been realised by irradiating N2/CH4 gas mixtures with different en- ergy sources in order to reproduce the chemistry of gas and particulate phases (Thomp- son et al, 1991; Mc Donald et al, 1994; de Vanssay et al, 1995; McKay, 1996; Coll et al, 1997, 1998a,b; and Refs. included). Until very recently, only one organics re- mains detected in Titan but not in laboratory simulation : C4N2. A full program of experimental research has been developed at LISA, which was able to provide a com- plete identification of a wide range of compounds, proposed to be present in Titan's atmosphere, including C4N2. The composition of aerosol on Titan is not known, due to its complexity. Especially its building molecules are difficult to identify. Only functional groups of analogues have been determined using spectroscopy and pyrolysis. However this chemical composi- tion is a key parameter for Cassini-Huygens experiments and atmospheric modeling : even the optical properties of aerosols are related to C/N and C/H ratios. We will present the results of the variation of C/N and C/H ratios according to the temperature and the pressure in Titan's atmosphere simulations. This data will allow to constraint photochemical models, in order for them to be more realistic. Then the comprehension of the mechanism of aerosols formation on Titan as function of altitude will be easier.

Leaf Respiratory Acclimation: Magnitude of Acclimation to the Long-term Warming in Tallgrass Prairie

NASA Astrophysics Data System (ADS)

Jung, C. G.; Peng, F.; Luo, Y.

2016-12-01

Plant respiration has a positive response with temperature; hence, the plant under warmer climate makes plant releases more CO2. However, plant leaf can acclimate to the warmer climate so that plant leaf respiratory acclimation contributes less positive feedback between climate warming and ecosystem CO2 release. In order to examine the feedback between ecosystem and evolution of carbon dioxide due to global warming, we conducted the experiment of warming and clipping as mimicking grazing effect in a tall grass prairie in central Oklahoma, US since November 1999. The warming plot's air and soil temperature show 1.1 °C and 2.3 °C higher than ambient, respectively. Since our experiment has been over 16 years, the plot's species compositions and plant richness have changed so far. Most species composition events occurred at the clipping plot; therefore, we selected the plants within unclipped plots to see whether plants that exposed long-term warming, play a role of thermal acclimation and how those major plant species across experimental site possess difference magnitude of acclimation. We have investigated five species, one legume, one forb, and three of C4 grass: Illinois bundle (Desmanthus illinoensis, C3), stiff goldenrod (Solidago rigida, C3), King Ranch bluestem (Bothriochloa ischaemum, C4), Indian grass (Sorghastrum nutans, C4), and Little bluestem (Schizachyrium scoparium, C4). Data has collected from May as the first month of growing season in our field site in 2016. In our results, measurements in +2 °C warming show strong acclimation across the species (185% ±41% s.e.m. among species). The strongest acclimation occurred by stiff goldenrod (309%). The lowest acclimation rate is 51% in Illinois bundle, as well as the partial acclimation. The other three C4 grass species have 188% acclimation rate (±37% s.e.m. among species). Whether different plant species have a different capability of acclimation or respond through different way as shown various magnitudes, our results provide strong evidence for plant leaf thermal acclimation and its actual degree in the experimental warmed tall grass prairie. Further analysis will distinguish the plant species into the different type of acclimation; furthermore, our results can contribute a precise prediction of terrestrial feedback.

Aluminum alloy/alumina-based ceramic interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lebeau, T.; Strom-Olsen, J.O.; Gruzleski, J.E.

1995-07-01

Wetting experiments were performed on eutectic ZrO{sub 2}/Al{sub 2}O{sub 3} (ZA), ZrO{sub 2}/Al{sub 2}O{sub 3}/TiO{sub 2} (ZAT), and ZrO{sub 2}/Al{sub 2}O{sub 3}/SiO{sub 2} (ZAS) ceramic substrates with different Al alloys. Four major variables were tested to study the wetting behavior of the different ceramic-metal systems. Variable include holding time, melt temperature, ally, and ceramic compositions. An experimental setup was designed to measure in situ contact angles using the sessile drop method. For any ceramic substrate, a temperature over 950 C was necessary to observe an equilibrium wetting angle of less than 90{degree} with pure Al; by alloying the aluminum, wettingmore » could be observed at lower temperatures ({theta} = 76--86{degree} at 900 C for Al-10 wt. % Si, {theta} {approximately}72{degree} at 850 C for Al-2.4 wt. % Mg) forming clean interfaces. Finally, ZAS specimens reacted with molten Al alloys over 900 C to produce Zr-Al based intermetallics at the metal-ceramic interface.« less

Structure of 14C and 14B from the C,1514(d ,3He)B,1413 reactions

NASA Astrophysics Data System (ADS)

Bedoor, S.; Wuosmaa, A. H.; Albers, M.; Alcorta, M.; Almaraz-Calderon, Sergio; Back, B. B.; Bertone, P. F.; Deibel, C. M.; Hoffman, C. R.; Lighthall, J. C.; Marley, S. T.; Mcneel, D. G.; Pardo, R. C.; Rehm, K. E.; Schiffer, J. P.; Shetty, D. V.

2016-04-01

We have studied the C,1514(d ,3He)B,1413 proton-removing reactions in inverse kinematics. The (d ,3He ) reaction probes the proton occupation of the target ground state, and also provides spectroscopic information about the final states in B,1413. The experiments were performed using C,1514 beams from the ATLAS accelerator at Argonne National Laboratory. The reaction products were analyzed with the HELIOS device. Angular distributions were obtained for transitions from both reactions. The 14C-beam data reveal transitions to excited states in 13B that suggest configurations with protons outside the π (0 p3 /2) orbital, and some possibility of proton cross-shell 0 p -1 s 0 d excitations, in the 14C ground state. The 15C-beam data confirm the existence of a broad 2- excited state in 14B. The experimental data are compared to the results of shell-model calculations.

Integrated Modeling and Experimental Studies at the Meso Scale for Advanced Reactive Materials

DTIC Science & Technology

2016-07-01

T E C H N IC A L R E P O R T DTRA-TR-16-76 Integrated Modeling and Experimental Studies at the Meso- Scale for Advanced Reactive Materials ...study the energy release processes that thermitic and/or exothermic intermetallic reactive materials experience when they are subjected to...thermitic and/or exothermic intermetallic materials experience when they are subjected to sustained shock loading. Data from highly spatially and

Thrust Augmentation Measurements Using a Pulse Detonation Engine Ejector

NASA Technical Reports Server (NTRS)

Santoro, Robert J.; Pal, Sibtosh

2005-01-01

Results of an experimental effort on pulse detonation driven ejectors are presented and discussed. The experiments were conducted using a pulse detonation engine (PDE)/ejector setup that was specifically designed for the study and operated at frequencies up to 50 Hz. The results of various experiments designed to probe different aspects of the PDE/ejector setup are reported. The baseline PDE was operated using ethylene (C2H4) as the fuel and an oxygen/nitrogen O2 + N2) mixture at an equivalence ratio of one. The PDE only experiments included propellant mixture characterization using a laser absorption technique, high fidelity thrust measurements using an integrated spring-damper system, and shadowgraph imaging of the detonation/shock wave structure emanating from the tube. The baseline PDE thrust measurement results at each desired frequency agree with experimental and modeling results reported in the literature. These PDE setup results were then used as a basis for quantifying thrust augmentation for various PDE/ejector setups with constant diameter ejector tubes and various ejector lengths, the radius of curvature for the ejector inlets and various detonation tube/ejector tube overlap distances. For the studied experimental matrix, the results showed a maximum thrust augmentation of 106% at an operational frequency of 30 Hz. The thrust augmentation results are complemented by shadowgraph imaging of the flowfield in the ejector tube inlet area and high frequency pressure transducer measurements along the length of the ejector tube.

Limits on spin-dependent WIMP-nucleon cross section obtained from the complete LUX exposure

DOE PAGES

Akerib, D. S.; Alsum, S.; Araújo, H. M.; ...

2017-06-23

We present experimental constraints on the spin-dependent WIMP-nucleon elastic cross sections from the total 129.5 kg yr exposure acquired by the Large Underground Xenon experiment (LUX), operating at the Sanford Underground Research Facility in Lead, South Dakota (USA). A profile likelihood ratio analysis allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σ n = 1.6 × 10 –41 cm 2 (σ p = 5 × 10 –40 cm 2) at 35 GeV c –2, almost a sixfold improvement over the previous LUX spin-dependent results. Finally, the spin-dependent WIMP-neutron limit is the most sensitivemore » constraint to date.« less

Limits on Spin-Dependent WIMP-Nucleon Cross Section Obtained from the Complete LUX Exposure.

PubMed

Akerib, D S; Alsum, S; Araújo, H M; Bai, X; Bailey, A J; Balajthy, J; Beltrame, P; Bernard, E P; Bernstein, A; Biesiadzinski, T P; Boulton, E M; Brás, P; Byram, D; Cahn, S B; Carmona-Benitez, M C; Chan, C; Chiller, A A; Chiller, C; Currie, A; Cutter, J E; Davison, T J R; Dobi, A; Dobson, J E Y; Druszkiewicz, E; Edwards, B N; Faham, C H; Fallon, S R; Fiorucci, S; Gaitskell, R J; Gehman, V M; Ghag, C; Gilchriese, M G D; Hall, C R; Hanhardt, M; Haselschwardt, S J; Hertel, S A; Hogan, D P; Horn, M; Huang, D Q; Ignarra, C M; Jacobsen, R G; Ji, W; Kamdin, K; Kazkaz, K; Khaitan, D; Knoche, R; Larsen, N A; Lee, C; Lenardo, B G; Lesko, K T; Lindote, A; Lopes, M I; Manalaysay, A; Mannino, R L; Marzioni, M F; McKinsey, D N; Mei, D-M; Mock, J; Moongweluwan, M; Morad, J A; Murphy, A St J; Nehrkorn, C; Nelson, H N; Neves, F; O'Sullivan, K; Oliver-Mallory, K C; Palladino, K J; Pease, E K; Reichhart, L; Rhyne, C; Shaw, S; Shutt, T A; Silva, C; Solmaz, M; Solovov, V N; Sorensen, P; Stephenson, S; Sumner, T J; Szydagis, M; Taylor, D J; Taylor, W C; Tennyson, B P; Terman, P A; Tiedt, D R; To, W H; Tripathi, M; Tvrznikova, L; Uvarov, S; Velan, V; Verbus, J R; Webb, R C; White, J T; Whitis, T J; Witherell, M S; Wolfs, F L H; Xu, J; Yazdani, K; Young, S K; Zhang, C

2017-06-23

We present experimental constraints on the spin-dependent WIMP-nucleon elastic cross sections from the total 129.5  kg yr exposure acquired by the Large Underground Xenon experiment (LUX), operating at the Sanford Underground Research Facility in Lead, South Dakota (USA). A profile likelihood ratio analysis allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σ_{n}=1.6×10^{-41}  cm^{2} (σ_{p}=5×10^{-40}  cm^{2}) at 35  GeV c^{-2}, almost a sixfold improvement over the previous LUX spin-dependent results. The spin-dependent WIMP-neutron limit is the most sensitive constraint to date.

Multiple-reason decision making based on automatic processing.

PubMed

Glöckner, Andreas; Betsch, Tilmann

2008-09-01

It has been repeatedly shown that in decisions under time constraints, individuals predominantly use noncompensatory strategies rather than complex compensatory ones. The authors argue that these findings might be due not to limitations of cognitive capacity but instead to limitations of information search imposed by the commonly used experimental tool Mouselab (J. W. Payne, J. R. Bettman, & E. J. Johnson, 1988). The authors tested this assumption in 3 experiments. In the 1st experiment, information was openly presented, whereas in the 2nd experiment, the standard Mouselab program was used under different time limits. The results indicate that individuals are able to compute weighted additive decision strategies extremely quickly if information search is not restricted by the experimental procedure. In a 3rd experiment, these results were replicated using more complex decision tasks, and the major alternative explanations that individuals use more complex heuristics or that they merely encode the constellation of cues were ruled out. In sum, the findings challenge the fundaments of bounded rationality and highlight the importance of automatic processes in decision making. (c) 2008 APA, all rights reserved.

Gain-of-Function Mutation W493R in the Epithelial Sodium Channel Allosterically Reconfigures Intersubunit Coupling*♦

PubMed Central

Shobair, Mahmoud; Dagliyan, Onur; Kota, Pradeep; Dang, Yan L.; He, Hong; Stutts, M. Jackson; Dokholyan, Nikolay V.

2016-01-01

Sodium absorption in epithelial cells is rate-limited by the epithelial sodium channel (ENaC) activity in lung, kidney, and the distal colon. Pathophysiological conditions, such as cystic fibrosis and Liddle syndrome, result from water-electrolyte imbalance partly due to malfunction of ENaC regulation. Because the quaternary structure of ENaC is yet undetermined, the bases of pathologically linked mutations in ENaC subunits α, β, and γ are largely unknown. Here, we present a structural model of heterotetrameric ENaC α1βα2γ that is consistent with previous cross-linking results and site-directed mutagenesis experiments. By using this model, we show that the disease-causing mutation αW493R rewires structural dynamics of the intersubunit interfaces α1β and α2γ. Changes in dynamics can allosterically propagate to the channel gate. We demonstrate that cleavage of the γ-subunit, which is critical for full channel activation, does not mediate activation of ENaC by αW493R. Our molecular dynamics simulations led us to identify a channel-activating electrostatic interaction between α2Arg-493 and γGlu-348 at the α2γ interface. By neutralizing a sodium-binding acidic patch at the α1β interface, we reduced ENaC activation of αW493R by more than 2-fold. By combining homology modeling, molecular dynamics, cysteine cross-linking, and voltage clamp experiments, we propose a dynamics-driven model for the gain-of-function in ENaC by αW493R. Our integrated computational and experimental approach advances our understanding of structure, dynamics, and function of ENaC in its disease-causing state. PMID:26668308

The influence of temperature on brittle creep in sandstones

NASA Astrophysics Data System (ADS)

Heap, M. J.; Baud, P.; Meredith, P. G.; Vinciguerra, S.

2009-04-01

The characterization of time-dependent brittle rock deformation is fundamental to understanding the long-term evolution and dynamics of the Earth's upper crust. The presence of water promotes time-dependent deformation through environment-dependent stress corrosion cracking that allows rocks to deform at stresses far below their short-term failure stress. Here we report results from an experimental study of the influence of an elevated temperature on time-dependent brittle creep in water-saturated samples of Darley Dale (initial porosity of 13%), Bentheim (23%) and Crab Orchard (4%) sandstones. We present results from both conventional creep experiments (or ‘static fatigue' tests) and stress-stepping creep experiments performed under 20°C and 75°C and an effective confining pressure of 30 MPa (50 MPa confining pressure and a 20 MPa pore fluid pressure). The evolution of crack damage was monitored throughout each experiment by measuring the three proxies for damage (1) axial strain (2) pore volume change and (3) the output of AE energy. Conventional creep experiments have demonstrated that, for any given applied differential stress, the time-to-failure is dramatically reduced and the creep strain rate is significantly increased by application of an elevated temperature. Stress-stepping creep experiments have allowed us to investigate the influence of temperature in detail. Results from these experiments show that the creep strain rate for Darley Dale and Bentheim sandstones increases by approximately 3 orders of magnitude, and for Crab Orchard sandstone increases by approximately 2 orders of magnitude, as temperature is increased from 20°C to 75°C at a fixed effective differential stress. We discuss these results in the context of the different mineralogical and microstructural properties of the three rock types and the micro-mechanical and chemical processes operating on them.

Experimental observation of permeability changes in dolomite at CO2 sequestration conditions.

PubMed

Tutolo, Benjamin M; Luhmann, Andrew J; Kong, Xiang-Zhao; Saar, Martin O; Seyfried, William E

2014-02-18

Injection of cool CO2 into geothermally warm carbonate reservoirs for storage or geothermal energy production may lower near-well temperature and lead to mass transfer along flow paths leading away from the well. To investigate this process, a dolomite core was subjected to a 650 h, high pressure, CO2 saturated, flow-through experiment. Permeability increased from 10(-15.9) to 10(-15.2) m(2) over the initial 216 h at 21 °C, decreased to 10(-16.2) m(2) over 289 h at 50 °C, largely due to thermally driven CO2 exsolution, and reached a final value of 10(-16.4) m(2) after 145 h at 100 °C due to continued exsolution and the onset of dolomite precipitation. Theoretical calculations show that CO2 exsolution results in a maximum pore space CO2 saturation of 0.5, and steady state relative permeabilities of CO2 and water on the order of 0.0065 and 0.1, respectively. Post-experiment imagery reveals matrix dissolution at low temperatures, and subsequent filling-in of flow passages at elevated temperature. Geochemical calculations indicate that reservoir fluids subjected to a thermal gradient may exsolve and precipitate up to 200 cm(3) CO2 and 1.5 cm(3) dolomite per kg of water, respectively, resulting in substantial porosity and permeability redistribution.

Metal/Silicate Partitioning, Melt Speciation, Accretion, and Core Formation in the Earth

NASA Astrophysics Data System (ADS)

Drake, M. J.; Hillgren, V. J.; Dearo, J. A.; Capobianco, C. J.

1993-07-01

Core formation in terrestrial planets was concomitant with accretion. Siderophile and chalcophile element signatures in the mantles of planets are the result of these processes. For Earth, abundances of most siderophile and chalcophile elements are elevated relative to predictions from simple metal/silicate equilibria at low pressures [1]. This observation has led to three hypotheses for how these abundances were established: heterogeneous accretion [2], inefficient core formation [3], and metal/silicate equilibria at magma ocean pressures and temperatures [4]. Knowledge of speciation of siderophile elements in silicate melts in equilibrium with metal may help distinguish between these hypotheses. But there is some uncertainty regarding speciation. For example, Ni and Co have been reported to be present as 1+ or zero valence species in silicate melts at redox states appropriate to planetary accretion, rather than the expected 2+ state [5-7]. Independent metal/silicate partitioning experiments by three members of this group using two different experimental designs on both synthetic and natural compositions do not show evidence for Ni and Co in valence states other than 2+ over a wide range of redox states. For example, solid metal/silicate melt partition coefficients for Ni at 1260 degrees C obtained by VJH from experiments investigating the partitioning of Ni, Co, Mo, W, and P are indistinguishable from those obtained by JAD in similar experiments investigating the partitioning of Ni, Ge, and Sn. Both datasets define a line with the equation: log D(Ni) = - 0.54log fO2 - 3.14 with r^2 > 0.995. (Note that fO2 was calculated in both studies from thermodynamic data and phase compositions. A small, systematic offset from the true fO2 as measured by a solid electrolyte cell affects both equations similarly, but does not diminish their close agreement.) The valence of Ni in the silicate melt is obtained by multiplying the slope of the line by -4, indicating divalent Ni in both studies. Experiments by [8] between 1300 degrees C and 1550 degrees C and fO2 from air to just below iron-wustite in which Ni and Co are partitioned between Pt metal and CaO-Al2O3-SiO2 silicate melt also show evidence only for 2+ valence. Capobianco et al. [1] have noted that reliable extrapolation from current laboratory temperatures (1190 degrees C-1600 degrees C) to magma ocean temperatures is not possible. The hypothesis that siderophile and chalcophile element abundances in the mantle of Earth were established by metal/silicate equilibria at magma ocean pressures and temperatures needs to be tested using direct experimental measurements at magma ocean temperatures and pressures. Such experiments are currently being conducted. References: [1] Capobianco et al. (1993) J. Geophys. Res., 98, 5433. [2] Wanke (1981) Phil. Trans. R. Soc. London, A303, 287. [3] Jones and Drake (1986) Nature, 322, 221. [4] Murthy (1991) Science, 253, 303. [5] Schmitt et al. (1989) GCA, 53, 173. [6] Ehlers et al. (1993) GCA, 56, 3733. [7] Colson (1992) Nature, 357, 65. [8] Capobianco and Amelin (1993) GCA, 56 (in press).

Theoretical and experimental studies of the deposition of Na2So4 from seeded combustion gases

NASA Technical Reports Server (NTRS)

Kohl, F. J.; Santoro, G. J.; Stearns, C. A.; Fryburg, G. C.; Rosner, D. E.

1977-01-01

Flames in a Mach 0.3 atmospheric pressure laboratory burner rig were doped with sea salt, NaS04, and NaCl, respectively, in an effort to validate theoretical dew point predictions made by a local thermochemical equilibrium (LTCE) method of predicting condensation temperatures of sodium sulfate in flame environments. Deposits were collected on cylindrical platinum targets placed in the combustion products, and the deposition was studied as a function of collector temperature. Experimental deposition onset temperatures checked within experimental error with LTCE-predicted temperatures. A multicomponent mass transfer equation was developed to predict the rate of deposition of Na2SO4(c) via vapor transport at temperatures below the deposition onset temperature. Agreement between maximum deposition rates predicted by this chemically frozen boundary layer (CFBL) theory and those obtained in the seeded laboratory burner experiments is good.

On the mechanism of nitrosoarene-alkyne cycloaddition.

PubMed

Penoni, Andrea; Palmisano, Giovanni; Zhao, Yi-Lei; Houk, Kendall N; Volkman, Jerome; Nicholas, Kenneth M

2009-01-21

The thermal reaction between nitrosoarenes and alkynes produces N-hydroxyindoles as the major products. The mechanism of these novel reactions has been probed using a combination of experimental and computational methods. The reaction of nitrosobenzene (NB) with an excess of phenyl acetylene (PA) is determined to be first order in each reactant in benzene at 75 degrees C. The reaction rates have been determined for reactions between phenyl acetylene with a set of p-substituted nitrosoarenes, 4-X-C(6)H(4)NO, and of 4-O(2)N-C(6)H(4)NO with a set of p-substituted arylalkynes, 4-Y-C(6)H(4)C[triple bond]CH. The former reactions are accelerated by electron-withdrawing X groups (rho = +0.4), while the latter are faster with electron-donating Y groups (rho = -0.9). The kinetic isotope effect for the reaction of C(6)H(5)NO/C(6)D(5)NO with PhC[triple bond]CH is found to be 1.1 (+/-0.1) while that between PhC[triple bond]CH/PhC[triple bond]CD with PhNO is also 1.1 (+/-0.1). The reaction between nitrosobenzene and the radical clock probe cyclopropylacetylene affords 3-cyclopropyl indole in low yield. In addition to 3-carbomethoxy-N-hydroxyindole, the reaction between PA and o-carbomethoxy-nitrosobenzene also affords a tricyclic indole derivative, 3, likely derived from trapping of an intermediate indoline nitrone with PA and subsequent rearrangement. Computational studies of the reaction mechanism were carried out with density functional theory at the (U)B3LYP/6-31+G(d) level. The lowest energy pathway of the reaction of PhNO with alkynes was found to be stepwise; the N-C bond between nitrosoarene and acetylene is formed first, the resulting vinyl diradical undergoes cis-trans isomerization, and then the C-C bond forms. Conjugating substituents Z on the alkyne, Z-C[triple bond]CH, lower the calculated (and observed) activation barrier, Z = -H (19 kcal/mol), -Ph (15.8 kcal/mol), and -C(O)H (13 kcal/mol). The regioselectivity of the reaction, with formation of the 3-substituted indole, was reproduced by the calculations of PhNO + PhC[triple bond]CH; the rate-limiting step for formation of the 2-substituted indole is higher in energy by 11.6 kcal/mol. The effects of -NO(2), -CN, -Cl, -Br, -Me, and -OMe substituents were computed for the reactions of p-X-C(6)H(4)NO with PhC[triple bond]CH and of PhNO and/or p-NO(2)-C(6)H(4)NO with p-Y-C(6)H(4)C[triple bond]CH. The activation energies for the set of p-X-C(6)H(4)NO vary by 4.3 kcal/mol and follow the trend found experimentally, with electron-withdrawing X groups accelerating the reactions. The range of barriers for the p-Y-C(6)H(4)C[triple bond]CH reactions is smaller, about 1.5 and 1.8 kcal/mol in the cases of PhNO and p-NO(2)-PhNO, respectively. In agreement with the experiments, electron-donating Y groups on the alkyne accelerate the reactions with p-NO(2)-C(6)H(4)NO, while both ED and EW groups are predicted to facilitate the reaction. The calculated kinetic isotope effect for the reaction of C(6)H(5)NO/C(6)D(5)NO with PhC[triple bond]CH is negligible (as found experimentally) while that for PhC[triple bond]CH/PhC[triple bond]CD with PhNO (0.7) differs somewhat from the experiment (1.1). Taken together the experimental and computational results point to the operation of a stepwise diradical cycloaddition, with rate-limiting N-C bond formation and rapid C-C connection to form a bicyclic cyclohexadienyl-N-oxyl diradical, followed by fast tautomerization to the N-hydroxyindole product.

Biogeochemial modeling of biodegradation and stable isotope fractionation of DCE in a small-scale wetland

NASA Astrophysics Data System (ADS)

Alvarez-Zaldívar, Pablo; Imfeld, Gwenaël; Maier, Uli; Centler, Florian; Thullner, Martin

2013-04-01

In recent years, the use of (constructed) wetlands has gained significant attention for the in situ remediation of groundwater contaminated with (chlorinated) organic hydrocarbons. Although many sophisticated experimental methods exist for the assessment of contaminant removal in such wetlands the understanding how changes in wetland hydrochemistry affect the removal processes is still limited. This knowledge gap might be reduced by the use of biogeochemical reactive transport models. This study presents the reactive transport simulation of a small-scale constructed wetland treated with groundwater containing cis-1,2-dichloroethene (cDCE). Simulated processes consider different cDCE biodegradation pathways and the associated carbon isotope fractionation, a set of further (bio)geochemical processes as well as the activity of the plant roots. Spatio-temporal hydrochemical and isotope data from a long-term constructed wetland experiment [1] are used to constrain the model. Simulation results for the initial oxic phase of the wetland experiment indicate carbon isotope enrichment factors typical for cometabolic DCE oxidation, which suggests that aerobic treatment of cDCE is not an optimal remediation strategy. For the later anoxic phase of the experiment model derived enrichment factors indicate reductive dechlorination pathways. This degradation is promoted at all wetland depths by a sufficient availability of electron donor and carbon sources from root exudates, which makes the anoxic treatment of groundwater in such wetlands an effective remediation strategy. In combination with the previous experimental data results from this study suggest that constructed wetlands are viable remediation means for the treatment of cDCE contaminated groundwater. Reactive transport models can improve the understanding of the factors controlling chlorinated ethenes removal, and the used model approach would also allow for an optimization of the wetland operation needed for a complete degradation of these contaminants. [1] Imfeld, G., Aragonés, C., Zeiger, S., von Eckstädt, C., Paschke, H., Trabitzsch, R., Weiss, H., and Richnow, H. (2008). Tracking in situ biodegradation of 1,2-dicholoroethenes in a model wetland. Environ. Sci. Technol., 42: 7924-7930.

Ozonation of 1,2-dihydroxybenzene in the presence of activated carbon.

PubMed

Zaror, C; Soto, G; Valdés, H; Mansilla, H

2001-01-01

This work aims at obtaining experimental data on ozonation of 1,2-dihydroxybenzene (DHB) in the presence of activated carbon, with a view to assessing possible changes in its surface chemical structure and adsorption capacity. Experiments were conducted in a 0.5 L reactor, loaded with 2 g Filtrasorb 400 granular activated carbon, and 1-5 mM DHB aqueous solution at pH 2-8. Ozone gas was generated with an Ozocav generator, and fed into the reactor for a given exposure time, in the range 0.5-240 min, at 25 degrees C and 1 atm. After each run, liquid and activated carbon samples were taken for chemical assays. Soluble organic groups present on the active carbon surface were desorbed and analysed by GC-MS and HPLC. Activated carbon chemical surface properties were analysed using TPD, FT-IR, and XPS techniques. Reactions between ozone and adsorbed DHB were shown to be fast, leading to formation of C-6, C-4 and C-2 by-products. Oxygenated surface groups, particularly, COOH and C = O, increased as a result of ozonation.

Mannitol improves absorption and retention of calcium and magnesium in growing rats.

PubMed

Xiao, Jin; Li, Xiao; Min, Xiao; Sakaguchi, Ei

2013-01-01

Resistant sugars, which have several desirable properties, are often used in food production and the pharmaceutical industry. We evaluated the effects of mannitol on the absorption and retention of calcium (Ca) and magnesium (Mg) in growing rats. In experiment 1, 4-wk-old growing male Wistar rats were given a control diet (C) or mannitol diets containing 2%, 4%, 6%, or 8% mannitol (2M, 4M, 6M, or 8M, respectively) for 28 d to measure the absorption and retention of Ca and Mg. In the last 7 d of the feeding trial, the non-absorbable marker chromium-mordant cellulose was added to the experimental diets to estimate Ca and Mg absorbability in the intestinal segments. In experiment 2, 9-wk-old growing male Wistar rats were fed for 7 d with the experimental diets (C, 4M, or 8M) to observe cecal parameters. Apparent Ca absorption and retention in bone were significantly increased by 6M and 8M. Apparent Mg absorption was significantly increased by 4M, 6M, and 8M, whereas Mg retention in bone was significantly increased by 8M. The Ca/Cr and Mg/Cr in cecal digesta were similar in all groups. Fecal Ca/Cr was significantly decreased by 6M and 8M and Mg/Cr was significantly decreased by 4M, 6M, and 8M. In experiment 2, cecal weight and tissue weight were significantly increased by 8M. A significant decrease in pH was concomitant with a significant change in cecal organic acid concentrations after mannitol consumption. Absorption and retention of Ca and Mg are promoted by mannitol feeding through the fermentation of mannitol in the cecum. Copyright © 2013 Elsevier Inc. All rights reserved.

Nuclear medium effects in structure functions of nucleon at moderate Q2

NASA Astrophysics Data System (ADS)

Haider, H.; Zaidi, F.; Sajjad Athar, M.; Singh, S. K.; Ruiz Simo, I.

2015-11-01

Recent experiments performed on inclusive electron scattering from nuclear targets have measured the nucleon electromagnetic structure functions F1 (x ,Q2), F2 (x ,Q2) and FL (x ,Q2) in 12C, 27Al, 56Fe and 64Cu nuclei. The measurements have been done in the energy region of 1 GeV2

Structure analysis and spectroscopic characterization of 2-Fluoro-3-Methylpyridine-5-Boronic Acid with experimental (FT-IR, Raman, NMR and XRD) techniques and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Alver, Özgür; Dikmen, Gökhan

2016-03-01

Possible stable conformers, geometrical molecular structures, vibrational properties as well as band assignments, nuclear magnetic shielding tensors of 2-Fluoro-3-Methylpyridine-5-Boronic Acid (2F3MP5BA) were studied experimentally and theoretically using FT-IR, Raman, (CP/MAS) NMR and XRD spectroscopic methods. FT-IR and Raman spectra were evaluated in the region of 3500-400 cm-1, and 3200-400 cm-1, respectively. The optimized geometric structures, vibrational wavenumbers and nuclear magnetic shielding tensors were examined using Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-311++G(d, p) basis set. 1H, 13C NMR chemical shifts were calculated using the gauge invariant atomic orbital (GIAO) method. 1H, 13C, APT and HETCOR NMR experiments of title molecule were carried out in DMSO solution. 13C CP/MAS NMR measurement was done with 4 mm zirconium rotor and glycine was used as an external standard. Single crystal of 2F3MP5BA was also prepared for XRD measurements. Assignments of vibrational wavenumbers were also strengthened by calculating the total energy distribution (TED) values using scaled quantum mechanical (SQM) method.

Effective mass in bilayer graphene at low carrier densities: The role of potential disorder and electron-electron interaction

NASA Astrophysics Data System (ADS)

Li, J.; Tan, L. Z.; Zou, K.; Stabile, A. A.; Seiwell, D. J.; Watanabe, K.; Taniguchi, T.; Louie, Steven G.; Zhu, J.

2016-10-01

In a two-dimensional electron gas, the electron-electron interaction generally becomes stronger at lower carrier densities and renormalizes the Fermi-liquid parameters, such as the effective mass of carriers. We combine experiment and theory to study the effective masses of electrons and holes me* and mh* in bilayer graphene in the low carrier density regime on the order of 1 ×1011c m-2 . Measurements use temperature-dependent low-field Shubnikov-de Haas oscillations observed in high-mobility hexagonal boron nitride supported samples. We find that while me* follows a tight-binding description in the whole density range, mh* starts to drop rapidly below the tight-binding description at a carrier density of n =6 ×1011c m-2 and exhibits a strong suppression of 30% when n reaches 2 ×1011c m-2 . Contributions from the electron-electron interaction alone, evaluated using several different approximations, cannot explain the experimental trend. Instead, the effect of the potential fluctuation and the resulting electron-hole puddles play a crucial role. Calculations including both the electron-electron interaction and disorder effects explain the experimental data qualitatively and quantitatively. This Rapid Communication reveals an unusual disorder effect unique to two-dimensional semimetallic systems.

Sulfur isotope fractionation between fluid and andesitic melt: An experimental study

USGS Publications Warehouse

Fiege, Adrian; Holtz, François; Shimizu, Nobumichi; Mandeville, Charles W.; Behrens, Harald; Knipping, Jaayke L.

2014-01-01

Glasses produced from decompression experiments conducted by Fiege et al. (2014a) were used to investigate the fractionation of sulfur isotopes between fluid and andesitic melt upon magma degassing. Starting materials were synthetic glasses with a composition close to a Krakatau dacitic andesite. The glasses contained 4.55–7.95 wt% H2O, ∼140 to 2700 ppm sulfur (S), and 0–1000 ppm chlorine (Cl). The experiments were carried out in internally heated pressure vessels (IHPV) at 1030 °C and oxygen fugacities (fO2) ranging from QFM+0.8 log units up to QFM+4.2 log units (QFM: quartz–fayalite–magnetite buffer). The decompression experiments were conducted by releasing pressure (P) continuously from ∼400 MPa to final P of 150, 100, 70 and 30 MPa. The decompression rate (r) ranged from 0.01 to 0.17 MPa/s. The samples were annealed for 0–72 h (annealing time, tA) at the final P and quenched rapidly from 1030 °C to room temperature (T).The decompression led to the formation of a S-bearing aqueous fluid phase due to the relatively large fluid–melt partitioning coefficients of S. Secondary ion mass spectrometry (SIMS) was used to determine the isotopic composition of the glasses before and after decompression. Mass balance calculations were applied to estimate the gas–melt S isotope fractionation factor αg-m.No detectable effect of r and tA on αg-m was observed. However, SIMS data revealed a remarkable increase of αg-m from ∼0.9985 ± 0.0007 at >QFM+3 to ∼1.0042 ± 0.0042 at ∼QFM+1. Noteworthy, the isotopic fractionation at reducing conditions was about an order of magnitude larger than predicted by previous works. Based on our experimental results and on previous findings for S speciation in fluid and silicate melt a new model predicting the effect of fO2 on αg-m (or Δ34Sg–m) in andesitic systems at 1030 °C is proposed. Our experimental results as well as our modeling are of high importance for the interpretation of S isotope signatures in natural samples (e.g., melt inclusions or volcanic gases).

Synthesis of the new compound CaFe(CO 3) 2 and experimental constraints on the (Ca,Fe)CO 3 join

NASA Astrophysics Data System (ADS)

Davidson, Paula M.; Symmes, Gregory H.; Cohen, Barbara A.; Reeder, Richard J.; Lindsley, Donald H.

1993-12-01

Synthesis of the new (disordered) compound CaFe(CO 3) 2 has been achieved with the use of Fe-substituted CaCO 3(Cc ss) + Ca-substituted FeCO 3(Sid ss) as starting materials, and high CO 2 pressures. High pressure (20-30 kbar) is needed to stabilize FeCO 3 to sufficiently high temperatures for disordered CaFe(CO 3) 2 to form. Experiments provide reversed compositions of coexisting disordered phases in the CaFe join and locate the solvus temperature for CaFe(C) 3) 2 between 815 and 845°C at 30 kbars. Calculated phase relations predict that the stability of ordered CaFe(CO 3) 2 is limited to T < ˜450°C by the breakdown to Cc ss + Sid ss. A comparison of the unit-cell volume measured for disordered CaFe(CO 3) 2 vs. that estimated for ordered CaFe(CO 3) 2 suggests that increasing pressure stabilizes the disordered phase.

ForCent model development and testing using the Enriched Background Isotope Study experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parton, W.J.; Hanson, P. J.; Swanston, C.

The ForCent forest ecosystem model was developed by making major revisions to the DayCent model including: (1) adding a humus organic pool, (2) incorporating a detailed root growth model, and (3) including plant phenological growth patterns. Observed plant production and soil respiration data from 1993 to 2000 were used to demonstrate that the ForCent model could accurately simulate ecosystem carbon dynamics for the Oak Ridge National Laboratory deciduous forest. A comparison of ForCent versus observed soil pool {sup 14}C signature ({Delta} {sup 14}C) data from the Enriched Background Isotope Study {sup 14}C experiment (1999-2006) shows that the model correctly simulatesmore » the temporal dynamics of the {sup 14}C label as it moved from the surface litter and roots into the mineral soil organic matter pools. ForCent model validation was performed by comparing the observed Enriched Background Isotope Study experimental data with simulated live and dead root biomass {Delta} {sup 14}C data, and with soil respiration {Delta} {sup 14}C (mineral soil, humus layer, leaf litter layer, and total soil respiration) data. Results show that the model correctly simulates the impact of the Enriched Background Isotope Study {sup 14}C experimental treatments on soil respiration {Delta} {sup 14}C values for the different soil organic matter pools. Model results suggest that a two-pool root growth model correctly represents root carbon dynamics and inputs to the soil. The model fitting process and sensitivity analysis exposed uncertainty in our estimates of the fraction of mineral soil in the slow and passive pools, dissolved organic carbon flux out of the litter layer into the mineral soil, and mixing of the humus layer into the mineral soil layer.« less

ForCent Model Development and Testing using the Enriched Background Isotope Study (EBIS) Experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parton, William; Hanson, Paul J; Swanston, Chris

The ForCent forest ecosystem model was developed by making major revisions to the DayCent model including: (1) adding a humus organic pool, (2) incorporating a detailed root growth model, and (3) including plant phenological growth patterns. Observed plant production and soil respiration data from 1993 to 2000 were used to demonstrate that the ForCent model could accurately simulate ecosystem carbon dynamics for the Oak Ridge National Laboratory deciduous forest. A comparison of ForCent versus observed soil pool 14C signature (? 14C) data from the Enriched Background Isotope Study 14C experiment (1999-2006) shows that the model correctly simulates the temporal dynamicsmore » of the 14C label as it moved from the surface litter and roots into the mineral soil organic matter pools. ForCent model validation was performed by comparing the observed Enriched Background Isotope Study experimental data with simulated live and dead root biomass ? 14C data, and with soil respiration ? 14C (mineral soil, humus layer, leaf litter layer, and total soil respiration) data. Results show that the model correctly simulates the impact of the Enriched Background Isotope Study 14C experimental treatments on soil respiration ? 14C values for the different soil organic matter pools. Model results suggest that a two-pool root growth model correctly represents root carbon dynamics and inputs to the soil. The model fitting process and sensitivity analysis exposed uncertainty in our estimates of the fraction of mineral soil in the slow and passive pools, dissolved organic carbon flux out of the litter layer into the mineral soil, and mixing of the humus layer into the mineral soil layer.« less

Measurement of the loss tangent of low-density polyethylene with a nanoindentation technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loubet, J. L.; Oliver, W. C.; Lucas, B. N.

2000-05-01

This paper describes experimental measurements of the linear viscoelastic behavior of the surface of low-density (LD) polyethylene in contact with a pyramidal Berkovich diamond indenter. The experiments were carried out at two different temperatures, 15.9 and 27.2 degree sign C, between frequencies of 0.1 and 800 Hz. Using the shift of the loss tangent between the two temperatures at frequencies lower than 20 Hz and an Arrhenius equation, an activation energy of 105{+-}2 kJ/mol was obtained. This value is in good agreement with the bulk value of the {alpha} relaxation of LD polyethylene reported in the literature. (c) 2000 Materialsmore » Research Society.« less

Search for the 1P 1 charmonium state in overlinepp annihilations at the CERN intersecting storage rings

NASA Astrophysics Data System (ADS)

Baglin, C.; Baird, S.; Bassompierre, G.; Borreani, G.; Brient, J.-C.; Broll, C.; Brom, J.-M.; Bugge, L.; Buran, T.; Burq, J.-P.; Bussière, A.; Buzzo, A.; Cester, R.; Chemarin, M.; Chevallier, M.; Escoubes, B.; Fay, J.; Ferroni, S.; Gracco, V.; Guillaud, J.-P.; Khan-Aronsen, E.; Kirsebom, K.; Kylling, A.; Ille, B.; Lambert, M.; Leistam, L.; Lundby, A.; Macri, M.; Marchetto, F.; Menichetti, E.; Mörch, Ch.; Mouellic, B.; Olsen, D.; Pastrone, N.; Petrillo, L.; Pia, M. G.; Poole, J.; Poulet, M.; Rinaudo, G.; Santroni, A.; Severi, M.; Skjevling, G.; Stapnes, S.; Stugu, B.; R704 Collaboration

1986-04-01

This experiment has been performed at the CERN Intersecting Storage Rings to study the direct formation of charmonium states in antiproton-proton annihilations. The experimental program has partly been devoted to an inclusive scan for overlinepp → J/ψ + X in the range 3520-3530 MeV/ c2. A cluster of five events has been observed in a narrow energy band, centred on the centre of gravity of the 3P J states where the 1P 1 is expected to be. When interpreted as a new resonace, these data yield a mass m = 3525.4±0.8 MeV/ c2.

Controlled experiments for dense gas diffusion: Experimental design and execution, model comparison

DOE Office of Scientific and Technical Information (OSTI.GOV)

Egami, R.; Bowen, J.; Coulombe, W.

1995-07-01

An experimental baseline CO2 release experiment at the DOE Spill Test Facility on the Nevada Test Site in Southern Nevada is described. This experiment was unique in its use of CO2 as a surrogate gas representative of a variety of specific chemicals. Introductory discussion places the experiment in historical perspective. CO2 was selected as a surrogate gas to provide a data base suitable for evaluation of model scenarios involving a variety of specific dense gases. The experiment design and setup are described, including design rationale and quality assurance methods employed. Resulting experimental data are summarized. Data usefulness is examined throughmore » a preliminary comparison of experimental results with simulations performed using the SLAV and DEGADIS dense gas models.« less

Nanometre-scale 3D defects in Cr2AlC thin films.

PubMed

Chen, Y T; Music, D; Shang, L; Mayer, J; Schneider, J M

2017-04-20

MAX-phase Cr 2 AlC containing thin films were synthesized by magnetron sputtering in an industrial system. Nanometre-scale 3D defects are observed near the boundary between regions of Cr 2 AlC and of the disordered solid solution (CrAl) x C y . Shrinkage of the Cr-Cr interplanar distance and elongation of the Cr-Al distance in the vicinity of the defects are detected using transmission electron microscopy. The here observed deformation surrounding the defects was described using density functional theory by comparing the DOS of bulk Cr 2 AlC with the DOS of a strained and unstrained Cr 2 AlC(0001) surface. From the partial density of states analysis, it can be learned that Cr-C bonds are stronger than Cr-Al bonds in bulk Cr 2 AlC. Upon Cr 2 AlC(0001) surface formation, both bonds are weakened. While the Cr-C bonds recover their bulk strength as Cr 2 AlC(0001) is strained, the Cr-Al bonds experience only a partial recovery, still being weaker than their bulk counterparts. Hence, the strain induced bond strengthening in Cr 2 AlC(0001) is larger for Cr d - C p bonds than for Cr d - Al p bonds. The here observed changes in bonding due to the formation of a strained surface are consistent with the experimentally observed elongation of the Cr-Al distance in the vicinity of nm-scale 3D defects in Cr 2 AlC thin films.

Unimolecular Thermal Fragmentation of Ortho-Benzyne

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, X.; Maccarone, A. T.; Nimlos, M. R.

2007-01-01

The ortho-benzyne diradical, o-C{sub 6}H{sub 4} has been produced with a supersonic nozzle and its subsequent thermal decomposition has been studied. As the temperature of the nozzle is increased, the benzyne molecule fragments: o-C{sub 6}H{sub 4} + {Delta} {yields} products. The thermal dissociation products were identified by three experimental methods: (i) time-of-flight photoionization mass spectrometry, (ii) matrix-isolation Fourier transform infrared absorption spectroscopy, and (iii) chemical ionization mass spectrometry. At the threshold dissociation temperature, o-benzyne cleanly decomposes into acetylene and diacetylene via an apparent retro-Diels-Alder process: o-C{sub 6}H{sub 4} + {Delta} {yields} HC {triple_bond} CH+HC {triple_bond} C-C {triple_bond} CH. The experimentalmore » {Delta}{sub rxn}H{sub 298}(o-C{sub 6}H{sub 4} {yields} HC {triple_bond} CH+HC {triple_bond} C-C {triple_bond} CH) is found to be 57 {+-} 3 kcal mol{sup -1}. Further experiments with the substituted benzyne, 3,6-(CH{sub 3}){sub 2}-o-C{sub 6}H{sub 2}, are consistent with a retro-Diels-Alder fragmentation. But at higher nozzle temperatures, the cracking pattern becomes more complicated. To interpret these experiments, the retro-Diels-Alder fragmentation of o-benzyne has been investigated by rigorous ab initio electronic structure computations. These calculations used basis sets as large as [C(7s6p5d4f3g2h1i)/H(6s5p4d3f2g1h)] (cc-pV6Z) and electron correlation treatments as extensive as full coupled cluster through triple excitations (CCSDT), in cases with a perturbative term for connected quadruples [CCSDT(Q)]. Focal point extrapolations of the computational data yield a 0 K barrier for the concerted, C{sub 2v}-symmetric decomposition of o-benzyne, E{sub b}(o-C{sub 6}H{sub 4} {yields} HC {triple_bond} CH+HC {triple_bond} C-C {triple_bond} CH) = 88.0 {+-} 0.5 kcal mol{sup -1}. A barrier of this magnitude is consistent with the experimental results. A careful assessment of the thermochemistry for the high temperature fragmentation of benzene is presented: C{sub 6}H{sub 6} {yields} H+[C{sub 6}H{sub 5}] {yields} H+[o-C{sub 6}H{sub 4}] {yields} HC {triple_bond} CH+HC {triple_bond} C-C {triple_bond} CH. Benzyne may be an important intermediate in the thermal decomposition of many alkylbenzenes (arenes). High engine temperatures above 1500 K may crack these alkylbenzenes to a mixture of alkyl radicals and phenyl radicals. The phenyl radicals will then dissociate first to benzyne and then to acetylene and diacetylene.« less

Chemical Kinetic Influences of Alkyl Chain Structure on the High Pressure and Temperature Oxidation of a Representative Unsaturated Biodiesel: Methyl Nonenoate.

PubMed

Fridlyand, Aleksandr; Goldsborough, S Scott; Brezinsky, Kenneth

2015-07-16

The high pressure and temperature oxidation of methyl trans-2-nonenoate, methyl trans-3-nonenoate, 1-octene, and trans-2-octene are investigated experimentally to probe the influence of the double bond position on the chemical kinetics of long esters and alkenes. Single pulse shock tube experiments are performed in the ranges p = 3.8-6.2 MPa and T = 850-1500 K, with an average reaction time of 2 ms. Gas chromatographic measurements indicate increased reactivity for trans-2-octene compared to 1-octene, whereas both methyl nonenoate isomers have reactivities similar to that of 1-octene. A difference in the yield of stable intermediates is observed for the octenes when compared to the methyl nonenoates. Chemical kinetic models are developed with the aid of the Reaction Mechanism Generator to interpret the experimental results. The models are created using two different base chemistry submodels to investigate the influence of the foundational chemistry (i.e., C0-C4), whereas Monte Carlo simulations are performed to examine the quality of agreement with the experimental results. Significant uncertainties are found in the chemistry of unsaturated esters with the double bonds located close to the ester groups. This work highlights the importance of the foundational chemistry in predictive chemical kinetics of biodiesel combustion at engine relevant conditions.

Sulfur in Hydrous, Oxidized Basaltic Magmas: Phase Equilibria and Melt Solubilities

NASA Astrophysics Data System (ADS)

Pichavant, M.; Scaillet, B.; di Carlo, I.; Rotolo, S.; Metrich, N.

2006-05-01

Basaltic magmas from subduction zone settings are typically S-rich and may be the ultimate source of sulfur in vapor phases emitted during eruptions of more silicic systems. To understand processes of sulfur recycling in subduction zones, the behaviour of S in hydrous, oxidized, mafic arc magmas must be known. Although experimental data on S-bearing basaltic melts are available for dry conditions, and under both reduced and oxidized fO2, no study has yet examined the effect of S in hydrous mafic melts. In this work, 3 starting compositions were investigated, a basaltic andesite, a K basalt and a picritic basalt. For each composition, experimental data for S-added (1 wt % elemental sulfur) and S-free charges were obtained under similar P-T- H2O-fO2. All experiments were performed at 4 kbar and at either 950 ° C (basaltic andesite), 1100 ° C (K basalt) or 1150 ° C (picritic basalt). These were carried out in an internally heated vessel pressurized with Ar-H2 mixtures and fitted with a drop-quench device, and lasted for between 15 and 99 h. Either Au (950 ° C) or AuPd alloys (1100 and 1150 ° C) were used as containers. These latter perform satisfactorily under strongly oxidizing conditions, i.e., for fO2 above NNO+1 at 1100 and 1150 ° C. Below NNO+1, Pd- Au-S-Fe phases appear in the charges, suggesting extensive interaction between S and the capsule material. Experimental redox conditions, determined from Ni-Pd-O sensors, ranged between NNO+1.3 to +4.1 (basaltic andesite), +0.6 to +2.0 (K basalt), and +0.3 to +3.6 (picritic basalt). H2O concentrations in melt ranged from 8.2 wt % (basaltic andesite), decreasing to 2.2-3.9 wt % (K basalt) and 2.5-5.0 wt % (picritic basalt). All 3 compositions studied crystallize anhydrite and Fe-Ni-S-O sulphide as saturating S-bearing phases, anhydrite at high fO2 and sulphide at lower fO2, although melt composition also influences their stability. Anhydrite is present at a fO2 as low as NNO+1.5 in the K basalt. In the picritic basalt, sulphides were found to coexist with anhydrite in a fO2 range as high as NNO+3.0. Melts at equilibrium with anhydrite have S concentrations, measured by electron microprobe, of 2070 ppm (basaltic andesite), 5600 ppm (K basalt) and 6500-6550 ppm (picritic basalt). These values reach concentrations similar to found previously for hydrous oxidized trachyandesite melts at 1000 ° C but are significantly less than recent determinations for dry basaltic melts saturated with sulfate at 1300 ° C. Two anhydrite-saturated glasses, investigated by XANES spectroscopy at the sulfur K-edge, show S to be present only as sulfate species. At lower fO2, between NNO and NNO+1, S concentrations in melts synthesized in AuPd capsules strongly decrease because most of the S present is sequestered in the Pd-rich phases. When Au capsules are used (basaltic andesite experiments), there is no marked effect of fO2 on S solubility in this fO2 range: 2250 ppm S (NNO+1.3, sulfide-saturated) vs. 2070 ppm S (NNO+4.1, anhydrite-saturated). This is consistent with the predominance of sulfate species at NNO+1.3 although sulfide species were also detected by XANES. Comparison between near-liquidus experiments with and without S shows no large influence of S on silicate phase equilibria. However, anhydrite crystallization removes a significant amount of Ca from the melt. This strongly affects melt chemistry, and induces major changes in the nature of liquidus silicate phases and in their composition.

Microstructure evolution of fault rocks at the "brittle-to-plastic" transition

NASA Astrophysics Data System (ADS)

Heilbronner, R.; Pec, M.; Stunitz, H.

2011-12-01

In the continental crust, large earthquakes tend to nucleate at the "brittle-to-plastic" transition at depths of ~ 10 - 20 km indicating stress release by rupture at elevated PT. Experimental studies, field observations, and models predict peak strength of the lithosphere at depths where rocks deform by "semi-brittle" flow. Thus, the deformation processes taking place at these conditions are important aspects of the seismic cycle and fault rheology in general. We performed a series of experiments with crushed Verzasca gneiss powder (d ≤ 200 μm), "pre-dried" and 0.2 wt% H2O added, placed between alumina forcing blocks (45° pre-cut) and weld-sealed in Pt jackets. The experiments were performed at Pc = 500, 1000 and 1500 MPa, T = 300°C and 500°C. and shear strain rates of ~10-3 s-1 to ~10-5 s-1 in a solid medium deformation apparatus (Griggs rig). Samples deformed at Pc = 500 MPa attain peak strength (~ 1100-1400 MPa) at γ ~ 2, they weaken by ~20 MPa (300°C) to ~140 MPa (500°C) and reach a steady state. The 300°C experiments are systematically stronger by ~ 330 - 370 MPa than the 500°C experiments, and flow stress increases with increasing strain rate. At Pc = 1000 and 1500 MPa, peak strength (~1300-1600 MPa) is reached at γ = 1 to 1.5 followed by weakening of ~60 (300°C) and ~150 MPa (500°C). The strength difference between 300°C and 500°C samples is 270-330 MPa and does not increase with increasing confining pressure. The peak strength increase with confining pressure is modest (50-150 MPa), indicating that the rocks reach their maximal compressive strength. The microstructure develops as an S-C-C' fabric with dominant C' slip zones. At low strains, the gouge zone is pervasively cut by closely spaced C' shears containing fine-grained material (d < 100 nm). At peak strength, deformation localizes into less densely spaced, ~10 μm thick C'-C slip zones which develop predominantly in feldspars. In TEM, they show no porosity and consist of amorphous material and small crystalline fragments (d ~ 20 nm). During steady state flow, pseudotachylites appear as isolated patches, typically associated with micas (melting temperature ~650°C). Quartz grains show the lowest degree of fragmentation and represent the rheologically strongest phase. Feldspar grains fracture more easily and are the weakest phase. The development of the bulk microstructure evolves with finite strain and does not show any dependence on temperature. CL observations, EDS maps and WDS microprobe data show changes in chemical composition in the slip zones indicating that mechanical disintegration of the grains is accompanied by transport of alkalis, producing a different mineral chemistry even at short experimental time scales (~20 min to 30 hrs). The amorphous to nano-crystalline material is viscously deformed and a pre-cursor for the formation of frictional melt, which is typically more ferromagnesian and basic than the bulk rock composition. Our results indicate that 1) frictional melting can occur even at slow strain-rates 2) is possible during steady-state plastic flow and is not accompanied by a stress drop.

Influence of shallow traps on time-resolved optically stimulated luminescence measurements of Al2O3:C,Mg

NASA Astrophysics Data System (ADS)

Denis, G.; Akselrod, M. S.; Yukihara, E. G.

2011-05-01

The objective of this paper is to investigate the influence of shallow traps on the signals from Al2O3:C,Mg obtained using time-resolved optically stimulated luminescence (TR-OSL) measurements through experiments and numerical simulations. TR-OSL measurements of Al2O3:C,Mg were carried out and the resulting optically stimulated luminescence (OSL) curves were investigated as a function of the temperature. The numerical simulations were carried out using the rate-equations for a simplified model of Al2O3:C,Mg containing two types of luminescence centers with different luminescence lifetimes and three types of electron traps (a shallow trap, a main dosimetric trap, and a thermally disconnected deep trap). Both experimental results and simulations show that the OSL signals during and between the stimulation pulses are affected by the presence of shallow traps. However, with an appropriate choice of timing parameters, the influence of shallow traps can be reduced by calculating the difference between the signals during and between stimulation pulses. Therefore, TR-OSL can be useful in dosimetry using materials having a large concentration of shallow traps and OSL components with short luminescence lifetimes, for example Al2O3:C,Mg and BeO. Our results also show that the presence of shallow traps has to be taken into account when using the TR-OSL for discrimination between luminescence centers with different luminescence lifetimes, or separation between the OSL from different materials based on their characteristic luminescence lifetimes. The experimental results also show evidence of thermal assistance in the OSL process of Al2O3:C,Mg.

Experimental drought in a tropical rain forest increases soil carbon dioxide losses to the atmosphere

USGS Publications Warehouse

Cleveland, C.C.; Wieder, W.R.; Reed, S.C.; Townsend, A.R.

2010-01-01

Climate models predict precipitation changes for much of the humid tropics, yet few studies have investigated the potential consequences of drought on soil carbon (C) cycling in this important biome. In wet tropical forests, drought could stimulate soil respiration via overall reductions in soil anoxia, but previous research suggests that litter decomposition is positively correlated with high rainfall fluxes that move large quantities of dissolved organic matter (DOM) from the litter layer to the soil surface. Thus, reduced rainfall could also limit C delivery to the soil surface, reducing respiration rates. We conducted a throughfall manipulation experiment to investigate how 25% and 50% reductions in rainfall altered both C movement into soils and the effects of those DOM fluxes on soil respiration rates. In response to the experimental drought, soil respiration rates increased in both the -25% and -50% treatments. Throughfall fluxes were reduced by 26% and 55% in the-25% and-50% treatments, respectively. However, total DOM fluxes leached from the litter did not vary between treatments, because the concentrations of leached DOM reaching the soil surface increased in response to the simulated drought. Annual DOM concentrations averaged 7.7 ?? 0.8, 11.2 ?? 0.9, and 15.8 ?? 1.2 mg C/L in the control, -25%, and -50% plots, respectively, and DOM concentrations were positively correlated with soil respiration rates. A laboratory incubation experiment confirmed the potential importance of DOM concentration on soil respiration rates, suggesting that this mechanism could contribute to the increase in CO2 fluxes observed in the reduced rainfall plots. Across all plots, the data suggested that soil CO2 fluxes were partially regulated by the magnitude and concentration of soluble C delivered to the soil, but also by soil moisture and soil oxygen availability. Together, our data suggest that declines in precipitation in tropical rain forests could drive higher CO2 fluxes to the atmosphere both via increased soil O2 availability and through responses to elevated DOM concentrations. ?? 2010 by the Ecological Society of America.

Experimental drought in a tropical rain forest increases soil carbon dioxide losses to the atmosphere

USGS Publications Warehouse

Cleveland, Cory C.; Wieder, William R.; Reed, Sasha C.; Townsend, Alan R.

2010-01-01

Climate models predict precipitation changes for much of the humid tropics, yet few studies have investigated the potential consequences of drought on soil carbon (C) cycling in this important biome. In wet tropical forests, drought could stimulate soil respiration via overall reductions in soil anoxia, but previous research suggests that litter decomposition is positively correlated with high rainfall fluxes that move large quantities of dissolved organic matter (DOM) from the litter layer to the soil surface. Thus, reduced rainfall could also limit C delivery to the soil surface, reducing respiration rates. We conducted a throughfall manipulation experiment to investigate how 25% and 50% reductions in rainfall altered both C movement into soils and the effects of those DOM fluxes on soil respiration rates. In response to the experimental drought, soil respiration rates increased in both the -25% and -50% treatments. Throughfall fluxes were reduced by 26% and 55% in the -25% and -50% treatments, respectively. However, total DOM fluxes leached from the litter did not vary between treatments, because the concentrations of leached DOM reaching the soil surface increased in response to the simulated drought. Annual DOM concentrations averaged 7.7 ± 0.8, 11.2 ± 0.9, and 15.8 ± 1.2 mg C/L in the control, -25%, and -50% plots, respectively, and DOM concentrations were positively correlated with soil respiration rates. A laboratory incubation experiment confirmed the potential importance of DOM concentration on soil respiration rates, suggesting that this mechanism could contribute to the increase in CO2 fluxes observed in the reduced rainfall plots. Across all plots, the data suggested that soil CO2 fluxes were partially regulated by the magnitude and concentration of soluble C delivered to the soil, but also by soil moisture and soil oxygen availability. Together, our data suggest that declines in precipitation in tropical rain forests could drive higher CO2 fluxes to the atmosphere both via increased soil O2 availability and through responses to elevated DOM concentrations.

Liquidus Projections of Bi-Se-Ga and Bi-Se-Te Ternary Systems

NASA Astrophysics Data System (ADS)

Lin, Po-han; Chen, Sinn-wen; Hwang, Jenn-dong; Chu, Hsu-shen

2016-12-01

This study determines the liquidus projections of both Bi-Se-Ga and Bi-Se-Te ternary systems which are constituent ternary systems of promising Bi-Se-Te-Ga thermoelectric materials. Ternary Bi-Se-Ga and Bi-Se-Te alloys are prepared. Their primary solidification phases are experimentally determined, and thermal analysis experiments are carried out. The liquidus projections are determined based on the ternary experimental results and phase diagrams of constituent binary systems. The Bi-Se-Ga system includes seven primary solidification phases, Bi, Ga, GaSe, Ga2Se3, Se, Bi2Se3, and (Bi2)n(Bi2Se3)m. In the Bi-Se-Te system, there are five primary solidification phases, Bi, (Bi2)n(Bi2Te3)m, Bi2(Se,Te)3, (Se,Te), and (Bi2)n(Bi2Se3)m. Both the (Bi2)n(Bi2Te3)m and (Bi2)n(Bi2Se3)m phases are not a single phase, but a collection of series undetermined phases. Large miscibility gaps are observed in the Bi-Se-Ga system. The temperatures of the invariant reactions, Liquid + Bi + GaSe = Ga and Liquid + Ga2Se3 = Bi + GaSe, are at 495 K (222 °C) and 533 K (260 °C), respectively.

Measurements of GEp/GMp to high Q2 and search for 2{gamma} contribution in elastic ep at Jefferson Lab

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vina Punjabi, Charles Perdrisat

2010-05-01

The ratio, μpGEp/GMp, where μp is the proton magnetic moment, has been measured extensively over the last decade at the Jefferson Laboratory, using the polarization transfer method. This ratio is extracted directly from the measured ratio of transverse to longitudinal polarizations components of the recoiling proton in elastic electron-proton scattering. The polarization transfer results are of unprecedented high precision and accuracy, due in large part to the small systematic uncertainties associated with the experimental technique. Prior to these measurements, the form factors were empirically observed to exhibit dipole forms, such that μpGEp/GMp ≈ 1 over all regions of momentum transfermore » studied. With the Hall A results confirming that the ratio μpGEp/GMp shows a steady decrease below unity as a function of Q2, beginning around Q2 ≈ 1 GeV2, discussions revolving around the implication of this deviation from dipole behavior for the structure of the proton have been accompanied by renewed experimental interest in these elastic form factors. Starting in the fall of 2007, two new experiments, GEp-III and GEp-2γ in Hall C at JLab, measured the form factor ratio, GEp/GMp; the GEp-III experiment pushed the highest Q2 limit from 5.6 to 8.49 GeV2, with intermediate points at 5.2 and 6.8 GeV2, and the GEp-2γ experiment measured the ratio in three different kinematics at the constant value Q2=2.5 GeV2, by changing beam energy and detector angles. Preliminary results from both experiments are reported.« less

The role of H2O in controlling the eruptive behavior observed during 2008 Chaitén eruption

NASA Astrophysics Data System (ADS)

Forte, Pablo; Castro, Jonathan

2016-04-01

Although highly explosive and with the capacity of producing impacts in a world-wide scale, the underlying mechanisms driving rhyolitic eruptions are not yet fully understood. The lower frequency of these events in comparison to intermediate composition and mafic magmatic eruptions has hampered observation-based studies of rhyolite activity in last century. But in 2008, the eruption of Chaitén volcano (Southern Chile), gave us the first view of a rhyolitic eruptive cycle, start to finish. After an initial explosive phase that lasted for 10 days, the vigour of the eruption decreased and gave way to an effusive phase that was characterized by the emplacement of a dome complex. Surprisingly, a transitional phase between them was identified, with the simultaneous occurrence of explosive and effusive activity (Pallister et al. 2013). During the eruption, vast amounts of glassy rhyolite bombs with H2O contents ranging from 0.1 to 1.58 wt. % H2O were produced (Castro et al. 2012). It is already well known that H2O is one of the main players involved in the evolution of rhyolitic systems and in the occurrence of explosive volcanic eruptions (eg. Zhang et al. 2007). In this study, we conducted 90 high-temperature, 1 atm experiments in order to constrain degassing systematics and resultant foaming/fragmentation behavior of magma residing in the last hundred meters of Chaitén's volcanic conduit. By using cylindrical cores (4 x 10 mm) drilled from obsidian bombs and lava dome samples, isothermal experiments were performed at temperatures between 740° and 1030°C among the whole range of H2O contents measured in the deposits. Due to the experimental design developed, the complete evolution of the experiments was possible to monitor through a sapphire window with high-speed and conventional video cameras. Post-experiment video analysis has revealed 3 types of behaviors of the samples: a) expansion followed by equilibrium (constant volume), b) expansion followed by shrinking and c) expansion followed by explosive fragmentation. This last behavior was identified exclusively in samples with H2O ≥ 1.2 wt.%, and at temperatures higher than 880°C. For samples with H2O < 1.2 wt.%, no fragmentation was observed, even at higher temperatures (up to 1030°C), well above the estimated pre-eruptive temperature (~825°C) of the 2008 Chaitén rhyolite (see Castro and Dingwell, 2009). In samples that did not experience fragmentation, porosities of up to 85% were measured. Experimental results show that foaming and fragmentation behaviors reflect the efficiency of degassing of the system and this in turn depends on H2O content and temperature. We show that diverse vesiculation and fragmentation behaviors are the result of a complex interplay between H2O exsolution, diffusion rates and consequent changes in viscosity. Ultimately foaming versus fragmentation behavior depends on variations in the Peclet number, which balances viscous and diffusion-controlled bubble-growth regimes.

A design of experiment approach for efficient multi-parametric drug testing using a Caenorhabditis elegans model.

PubMed

Letizia, M C; Cornaglia, M; Tranchida, G; Trouillon, R; Gijs, M A M

2018-01-22

When studying the drug effectiveness towards a target model, one should distinguish the effects of the drug itself and of all the other factors that could influence the screening outcome. This comprehensive knowledge is crucial, especially when model organisms are used to study the drug effect at a systemic level, as a higher number of factors can influence the drug-testing outcome. Covering the entire experimental domain and studying the effect of the simultaneous change in several factors would require numerous experiments, which are costly and time-consuming. Therefore, a design of experiment (DoE) approach in drug-testing is emerging as a robust and efficient method to reduce the use of resources, while maximizing the knowledge of the process. Here, we used a 3-factor-Doehlert DoE to characterize the concentration-dependent effect of the drug doxycycline on the development duration of the nematode Caenorhabditis elegans. To cover the experimental space, 13 experiments were designed and performed, where different doxycycline concentrations were tested, while also varying the temperature and the food amount, which are known to influence the duration of C. elegans development. A microfluidic platform was designed to isolate and culture C. elegans larvae, while testing the doxycycline effect with full control of temperature and feeding over the entire development. Our approach allowed predicting the doxycycline effect on C. elegans development in the complete drug concentration/temperature/feeding experimental space, maximizing the understanding of the effect of this antibiotic on the C. elegans development and paving the way towards a standardized and optimized drug-testing process.

The effect of pressure on open-framework silicates: elastic behaviour and crystal-fluid interaction

NASA Astrophysics Data System (ADS)

Gatta, G. D.; Lotti, P.; Tabacchi, G.

2018-02-01

The elastic behaviour and the structural evolution of microporous materials compressed hydrostatically in a pressure-transmitting fluid are drastically affected by the potential crystal-fluid interaction, with a penetration of new molecules through the zeolitic cavities in response to applied pressure. In this manuscript, the principal mechanisms that govern the P-behaviour of zeolites with and without crystal-fluid interaction are described, on the basis of previous experimental findings and computational modelling studies. When no crystal-fluid interaction occurs, the effects of pressure are mainly accommodated by tilting of (quasi-rigid) tetrahedra around O atoms that behave as hinges. Tilting of tetrahedra is the dominant mechanism at low-mid P-regime, whereas distortion and compression of tetrahedra represent the mechanisms which usually dominate the mid-high P regime. One of the most common deformation mechanisms in zeolitic framework is the increase of channels ellipticity. The deformation mechanisms are dictated by the topological configuration of the tetrahedral framework; however, the compressibility of the cavities is controlled by the nature and bonding configuration of the ionic and molecular content, resulting in different unit-cell volume compressibility in isotypic structures. The experimental results pertaining to compression in "penetrating" fluids, and thus with crystal-fluid interaction, showed that not all the zeolites experience a P-induced intrusion of new monoatomic species or molecules from the P-transmitting fluids. For example, zeolites with well-stuffed channels at room conditions (e.g. natural zeolites) tend to hinder the penetration of new species through the zeolitic cavities. Several variables govern the sorption phenomena at high pressure, among those: the "free diameters" of the framework cavities, the chemical nature and the configuration of the extra-framework population, the partial pressure of the penetrating molecule in the fluid (if mixed with other non-penetrating molecules), the rate of P-increase, the surface/volume ratio of the crystallites under investigations and the temperature at which the experiment is conducted. An overview of the intrusion phenomena of monoatomic species (e.g. He, Ar, Kr), small (e.g. H2O, CO2) and complex molecules, along with the P-induced polymerization phenomena (e.g. C2H2, C2H4, C2H6O, C2H6O2, BNH6, electrolytic MgCl2·21H2O solution) is provided, with a discussion of potential technological and geological implications of these experimental findings.

A pyrolysis study for the thermal and kinetic characteristics of an agricultural waste with two different plastic wastes.

PubMed

Çepelioğullar, Özge; Pütün, Ayşe E

2014-10-01

In this study, thermochemical conversion of plastic wastes (PET and PVC) together with an agricultural waste (hazelnut shell) was investigated. In order to determine the thermal and kinetic behaviours, pyrolysis experiments were carried out from room temperature to 800 °C, with a heating rate of 10 °C min(-1) in the presence of a N2 atmosphere in a thermogravimetric analyzer. With the obtained thermogravimetric data, an appropriate temperature was specified for the pyrolysis of biomass-plastic wastes in a fixed-bed reactor. At the second step, pyrolysis experiments were carried out at the same conditions with the thermogravimetric analyzer, except the final temperature which was up to 500 °C in this case. After pyrolysis experiments, pyrolysis yields were calculated and characterization studies for bio-oil were investigated. Experimental results showed that co-pyrolysis has an important role in the determination of the pyrolysis mechanism and the process conditions while designing/implementing a thermochemical conversion method where biomass-plastic materials were preferred as raw materials. © The Author(s) 2014.

Experimental investigation of fuel regression rate in a HTPB based lab-scale hybrid rocket motor

NASA Astrophysics Data System (ADS)

Li, Xintian; Tian, Hui; Yu, Nanjia; Cai, Guobiao

2014-12-01

The fuel regression rate is an important parameter in the design process of the hybrid rocket motor. Additives in the solid fuel may have influences on the fuel regression rate, which will affect the internal ballistics of the motor. A series of firing experiments have been conducted on lab-scale hybrid rocket motors with 98% hydrogen peroxide (H2O2) oxidizer and hydroxyl terminated polybutadiene (HTPB) based fuels in this paper. An innovative fuel regression rate analysis method is established to diminish the errors caused by start and tailing stages in a short time firing test. The effects of the metal Mg, Al, aromatic hydrocarbon anthracene (C14H10), and carbon black (C) on the fuel regression rate are investigated. The fuel regression rate formulas of different fuel components are fitted according to the experiment data. The results indicate that the influence of C14H10 on the fuel regression rate of HTPB is not evident. However, the metal additives in the HTPB fuel can increase the fuel regression rate significantly.

Experimental calibration of Forsterite-Anorthite-Ca-Tschermak-Enstatite (FACE) geobarometer for mantle peridotites

NASA Astrophysics Data System (ADS)

Fumagalli, P.; Borghini, G.; Rampone, E.; Poli, S.

2017-06-01

The crystallization of plagioclase-bearing assemblages in mantle rocks is witness of mantle exhumation at shallow depth. Previous experimental works on peridotites have found systematic compositional variations in coexisting minerals at decreasing pressure within the plagioclase stability field. In this experimental study we present new constraints on the stability of plagioclase as a function of different Na2O/CaO bulk ratios, and we present a new geobarometer for mantle rocks. Experiments have been performed in a single-stage piston cylinder at 5-10 kbar, 1050-1150 °C at nominally anhydrous conditions using seeded gels of peridotite compositions (Na2O/CaO = 0.08-0.13; X Cr = Cr/(Cr + Al) = 0.07-0.10) as starting materials. As expected, the increase of the bulk Na2O/CaO ratio extends the plagioclase stability to higher pressure; in the studied high-Na fertile lherzolite (HNa-FLZ), the plagioclase-spinel transition occurs at 1100 °C between 9 and 10 kbar; in a fertile lherzolite (FLZ) with Na2O/CaO = 0.08, it occurs between 8 and 9 kbar at 1100 °C. This study provides, together with previous experimental results, a consistent database, covering a wide range of P- T conditions (3-9 kbar, 1000-1150 °C) and variable bulk compositions to be used to define and calibrate a geobarometer for plagioclase-bearing mantle rocks. The pressure sensitive equilibrium: Mg_{2}SiO_{4}^Ol\\limits_{Forsterite} + CaAl_{2}Si_{2}O_{8}^{Pl\\limits_{Anorthite} = CaAl_{2}SiO_{6}^{Cpx}\\limits_{Ca-Tschermak} + Mg_{2}Si_{2}O_{6}^{Opx}\\limits_{Enstatite}, has been empirically calibrated by least squares regression analysis of experimental data combined with Monte Carlo simulation. The result of the fit gives the following equation: P=7.2( ± 2.9)+0.0078( ± 0.0021)T{{ }}+0.0022( ± 0.0001)T ln K, {R^2}=0.93, where P is expressed in kbar and T in kelvin. K is the equilibrium constant K = a CaTs × a en/ a an × a fo, where a CaTs, a en, a an and a fo are the activities of Ca-Tschermak in clinopyroxene, enstatite in orthopyroxene, anorthite in plagioclase and forsterite in olivine. The proposed geobarometer for plagioclase peridotites, coupled to detailed microstructural and mineral chemistry investigations, represents a valuable tool to track the exhumation of the lithospheric mantle at extensional environments.

Isotopically Enriched C-13 Diamond Anvil as a Stress Sensor in High Pressure Experiments

NASA Astrophysics Data System (ADS)

Vohra, Yogesh; Qiu, Wei; Kondratyev, Andreiy; Velisavljevic, Nenad; Baker, Paul

2004-03-01

The conventional high pressure diamond anvils were modified by growing an isotopically pure C-13 diamond layer by microwave plasma chemical vapor deposition using methane/hydrogen/oxygen chemistry. The isotopically pure C-13 nature of the culet of the diamond anvil was confirmed by the Raman spectroscopy measurements. This isotopically engineered diamond anvil was used against a natural abundance diamond anvil for high pressure experiments in a diamond anvil cell. Spatial resolved Raman spectroscopy was used to measure the stress induced shift in the C-13 layer as well as the undelying C-12 layer to ultra high pressures. The observed shift and splitiing of the diamond first order Raman spectrum was correlated with the stress distribution in the diamond anvil cell. The experimental results will be compared with the finite element modeling results using NIKE-2D software in order to create a mathematical relationship between sets of the following parameters: vertical (z axis) distance; horizontal (r axis) distance; max shear stress, and pressure. The isotopically enriched diamond anvils offer unique opportunities to measure stress distribution in the diamond anvil cell devices.

Branching ratios and CP asymmetries of B→ χ _{c1}K(π ) decays

NASA Astrophysics Data System (ADS)

Rui, Zhou; Zhao, Qiang; Zhang, Li-li

2018-06-01

We investigate the exclusive nonleptonic decays B→ χ _{c1}K(π ) in the conventional perturbative QCD (PQCD) formalism. The predictions of branching ratios and CP asymmetries are given in detail. We compare our results with available experimental data as well as predictions of other theoretical studies existing in the literature. It seems that the branching ratios of B→ χ _{c1} K are more consistent with data than the earlier analyses. For the Cabibbo-suppressed B_s decays, the branching ratios can reach the order of 10^{-5}, which would be straight forward for experimental observations. The numerical results show that the direct CP asymmetries of the concerned decays are rather small. The mixing-induced CP asymmetry in the B^0→ χ _{c1}K_S is very close to sin {2β }, which suggests that this channel offer an alternative method for measuring the Cabbibo-Kobayashi-Maskawa (CKM) angle β . The obtained results in the present work could be tested by further experiments in the LHCb and forthcoming Belle II.

Theoretical description of RESPIRATION-CP

NASA Astrophysics Data System (ADS)

Nielsen, Anders B.; Tan, Kong Ooi; Shankar, Ravi; Penzel, Susanne; Cadalbert, Riccardo; Samoson, Ago; Meier, Beat H.; Ernst, Matthias

2016-02-01

We present a quintuple-mode operator-based Floquet approach to describe arbitrary amplitude modulated cross polarization experiments under magic-angle spinning (MAS). The description is used to analyze variants of the RESPIRATION approach (RESPIRATIONCP) where recoupling conditions and the corresponding first-order effective Hamiltonians are calculated, validated numerically and compared to experimental results for 15N-13C coherence transfer in uniformly 13C,15N-labeled alanine and in uniformly 2H,13C,15N-labeled (deuterated and 100% back-exchanged) ubiquitin at spinning frequencies of 16.7 and 90.9 kHz. Similarities and differences between different implementations of the RESPIRATIONCP sequence using either CW irradiation or small flip-angle pulses are discussed.

Experimental Whole-Ecosystem Warming Alters Vegetation Phenology in a Boreal Spruce Bog: Initial Results from the SPRUCE Experiment

NASA Astrophysics Data System (ADS)

Richardson, A. D.

2016-12-01

Phenology is one of the most robust indicators of the biological impacts of global change. However, the response of phenology to future environmental conditions still remains highly uncertain because of the challenges associated with conducting realistic manipulative experiments. At the SPRUCE (Spruce and Peatland Responses Under Climatic and Environmental Change) experiment in the north-central United States, experimental temperature (0 to +9°C above ambient) and CO2 (ambient and elevated) treatments are being applied to mature, and intact, Picea mariana-Sphagnum spp. bog communities in their native habitat through the use of ten large (approximately 12 m wide, 10 m high) open-topped enclosures. We are tracking vegetation green-up and senescence in these chambers using repeat digital photography. Within each chamber, images are recorded every 30 minutes and uploaded to PhenoCam (http://phenocam.sr.unh.edu), where processed to yield quantitative measures of canopy color. These data are complemented by on-the-ground phenological data collected by human observers. Air warming treatments at SPRUCE began in August 2015. We observed a delay in senescence during autumn 2015 (2-5 days per degree of warming) and an advance in onset during spring 2016 (1-4 days per degree of warming). These patterns are robust across species and methods of phenological observation (i.e. camera-based vs. human observer). And, our results show very little evidence for photoperiod acting as a constraint on the response to warming. Early spring onset and consequent loss of frost hardiness in the warmest chambers proved disadvantageous when a brief period of extreme cold (to -12°C in the control chambers, to -3°C in the +9°C chambers) followed a month of generally mild weather. Foliage mortality for both Larix and Picea was immediate and severe, although both species subsequently re-flushed. These results give support for the hypothesis that warming may enhance the likelihood of spring frost damage. The SPRUCE experiment will run through 2025. We anticipate that different results may be obtained for autumn in future years, if early spring onset enhances evapotranspiration to a degree sufficient to cause drought conditions by late summer.

Single-mode, Rayleigh-Taylor growth-rate measurements on the OMEGA laser system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Knauer, J. P.; Betti, R.; Bradley, D. K.

2000-01-01

The results from a series of single-mode, Rayleigh-Taylor (RT) instability growth experiments performed on the OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] using planar targets are reported. Planar targets with imposed mass perturbations were accelerated using five or six 351 nm laser beams overlapped with total intensities up to 2.5x10{sup 14} W/cm{sup 2}. Experiments were performed with both 3 ns ramp and 3 ns flat-topped temporal pulse shapes. The use of distributed phase plates and smoothing by spectral dispersion resulted in a laser-irradiation nonuniformity of 4%-7% over a 600 {mu}m diam region defined bymore » the 90% intensity contour. The temporal growth of the modulation in optical depth was measured using throughfoil radiography and was detected with an x-ray framing camera for CH targets. Two-dimensional (2-D) hydrodynamic simulations (ORCHID) [R. L. McCrory and C. P. Verdon, in Inertial Confinement Fusion (Editrice Compositori, Bologna, 1989), pp. 83-124] of the growth of 20, 31, and 60 {mu}m wavelength perturbations were in good agreement with the experimental data when the experimental details, including noise, were included. The amplitude of the simulation optical depth is in good agreement with the experimental optical depth; therefore, great care must be taken when the growth rates are compared to dispersion formulas. Since the foil's initial condition just before it is accelerated is not that of a uniformly compressed foil, the optical density measurement does not accurately reflect the amplitude of the ablation surface but is affected by the initial nonuniform density profile. (c) 2000 American Institute of Physics.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ford, A.L.; Reading, J.F.; Becker, R.L.

Theoretical methods used previously for H/sup +/, He/sup 2 +/, and C/sup 6 +/ collisions with neutral argon atoms have been applied to collisions of H/sup +/, He/sup 2 +/, and Li/sup 3 +/ projectiles with neon, and to collisions of H/sup +/ with carbon targets. The energy range covered by the calculations is 0.4 to 4.0 MeV/amu for the neon target, and 0.2 to 2.0 MeV/amu for carbon. We calculate single-electron amplitudes for target K-shell ionization and target K- and L-shell, to projectile K-shell, charge transfer. These single-electron amplitudes are used, in an independent-particle model that allows for multielectronmore » processes, to compute K-shell vacancy production cross sections sigma/sup IPM//sub V/K, and cross sections sigma/sup IPM//sub C/,VK for producing a charge-transfer state of the projectile in the coincidence with a K-shell vacancy in the target. These cross sections are in reasonable agreement with the recent experiments of Rodbro et al. at Aarhus. In particular, the calculated, as well as the experimental, sigma/sub C/,VK scale with projectile nuclear charge Z/sub p/ less strongly than the Z/sup 5//sub p/ of the Oppenheimer-Brinkman-Kramers (OBK) approximation. For He/sup 2 +/ and Li/sup 3 +/ projectiles at collision energies below where experimental data are available, our calculated multielectron corrections to the single-electron approximation for sigma/sub C/,VK are large.« less

Spectroscopic investigations using density functional theory on 2-methoxy- 4(phenyliminomethyl)phenol: A non linear optical material

NASA Astrophysics Data System (ADS)

Hijas, K. M.; Madan Kumar, S.; Byrappa, K.; Geethakrishnan, T.; Jeyaram, S.; Nagalakshmi, R.

2018-03-01

Single crystals of 2-methoxy-4(phenyliminomethyl)phenol were grown from ethanol by slow evaporation solution growth technique. Single crystal X-ray diffraction experiment reveals the crystallization in orthorhombic system having non-centrosymmetric space group C2221. Geometrical optimization by density functional theory method was carried out using Gaussian program and compared with experimental results. Detailed experimental and theoretical vibrational analyses were carried out and the results were correlated to find close agreement. Thermal analyses show the material is thermally stable with a melting point of 159 °C. Natural bond orbital analysis was carried out to explain charge transfer interactions through hydrogen bonding. Relatively smaller HOMO-LUMO band gap favors the non linear optical activity of the molecule. Natural population analysis and molecular electrostatic potential calculations visualize the charge distribution in an isolated molecule. Calculated first-order molecular hyperpolarizability and preliminary second harmonic generation test carried out using Kurtz-Perry technique establish 2-methoxy-4(phenyliminomethyl)phenol crystal as a good non linear optical material. Z-scan proposes the material for reverse saturable absorption.

The Evolution of the EH4 Chondrite Indarch at High Pressure and Temperature: The First Experimental Results

NASA Technical Reports Server (NTRS)

Berthet, S.; Malavergne, V.; Righter, K.; Corgne, A.; Combes, R.

2006-01-01

Chondrite groups are characterized by variations in bulk composition and oxidation state, illustrating in part heterogeneity in the early solar nebula. Planetary accretion could be explained by at least two different scenarios: the homogeneous [1] and heterogeneous accretion models [2, 3]. In particular, for the formation of the Earth, some studies (e.g. [2, 3]) assume that one component is highly reduced material comparable to enstatite chondrites, devoid of volatile elements but containing all other elements in C1 abundance ratios. To derive constraints on the understanding of early differentiation processes, studies of the silicate phase relations and their interactions with metal, at relevant P-T-fO2, are required. Melting relations and equilibrium partitioning behaviour have been studied on peridotitic and chondritic starting compositions at pressures and temperatures corresponding to the transition zone and lower mantle [4, 5, 6]. However, enstatite chondrites, which are highly reduced primitive meteorites, have not yet been studied experimentally under such conditions. Thus, multianvil experiments have been performed at 20-25 GPa and 2000-2400 C on the EH4 chondrite Indarch.

Experimental determination of growth rate effect on U 6+ and Mg 2+ partitioning between aragonite and fluid at elevated U 6+ concentration

NASA Astrophysics Data System (ADS)

Gabitov, R. I.; Gaetani, G. A.; Watson, E. B.; Cohen, A. L.; Ehrlich, H. L.

2008-08-01

Results are reported from an experimental study in which the partitioning of U and Mg between aragonite and an aqueous solution were determined as a function of crystal growth rate. Crystals, identified as aragonite by X-ray diffractometry and micro-Raman spectroscopy, were grown by diffusion of CO 2 from an ammonium carbonate source into a calcium-bearing solution at temperatures of 22 and 53 °C. Hemispherical bundles (spherulites) of aragonite crystals were produced, the growth rates of which decreased monotonically from the spherulite interiors to the edges and thus provide the opportunity to examine the influence of growth rate on crystal composition. Element concentration ratios were measured using electron microprobe (EMP) and fluid composition was determined by inductively coupled plasma-mass spectrometry (ICP-MS) and atomic absorption (AA). Growth rates were determined directly by addition of a Dy spike to the fluid during the experiment that was subsequently located in an experimentally precipitated spherulite using secondary ion mass spectrometry (SIMS). At 22 °C both U/Ca and Mg/Ca partition coefficients exhibited a strong growth rate dependence when crystal growth rates were low, and became independent of growth rate when crystal growth rates were high. The U/Ca ratios in aragonite increase between 22 and 53 °C; in contrast Mg/Ca ratios show inverse dependence on temperature.

Solid iron-hydrogen alloys under high pressure by first principles

NASA Astrophysics Data System (ADS)

Umemoto, K.; Hirose, K.

2016-12-01

Hydrogen and iron are two of major constituents of the Earth and planetary interiors. The crystal structure of solid FeHx is one of the most fundamental information in order to understand properties of planetary cores. It is well known that FeH takes closed-packed structures: dhcp, hcp, and fcc. Recently, hydrogen-rich phases, FeH2 and FeH3, were experimentally synthesized [1]. Although a tetragonal structure of FeH2 was proposed, it could not explain experimental observations, energetic stability and compression curve. Here we propose a new crystal structure of FeH2. The symmetry of the new structure is completely identical to that in originally proposed one, but the hydrogen sublattice which cannot be directly determined by XRD experiments is different. It will be demonstrated by first principles that the new structure can be fully consistent with experimental observations. [1] C. M. Pépin, A. Dewaele, G. Geneste, P. Loubeyre, and M. Mezouar, Phys. Rev. Lett. 113, 265504 (2014).

Model Evaluation of New Techniques for Maintaining High-NO Conditions in Oxidation Flow Reactors for the Study of OH-Initiated Atmospheric Chemistry

DOE PAGES

Peng, Zhe; Palm, Brett B.; Day, Douglas A.; ...

2017-11-27

Oxidation flow reactors (OFRs) efficiently produce OH radicals using low-pressure Hg-lamp emissions at λ=254 nm (OFR254) or both λ=185 and 254 nm (OFR185). OFRs under most conditions are limited to studying low-NO chemistry (where RO2+HO2 dominates RO2 fate), even though substantial amounts of initial NO may be injected. This is due to very fast NO oxidation by high concentrations of OH, HO2, and O3. Here, we model new techniques for maintaining high-NO conditions in OFRs, i.e., continuous NO addition along the length of the reactor in OFR185 (OFR185-cNO), recently proposed injection of N2O at the entrance of the reactor inmore » OFR254 (OFR254-iN2O), and an extension of that idea to OFR185 (OFR185-iN2O). For these techniques, we evaluate (1) fraction of conditions dominated by RO2+NO while avoiding significant non-tropospheric photolysis and (2) fraction of conditions where reactions of precursors with OH dominate over unwanted reactions with NO3. OFR185-iN2O is the most practical for general high-NO experiments since it represents the best compromise between experimental complexity and performance upon proper usage. Short lamp distances are recommended for OFR185-iN2O to ensure a relatively uniform radiation field. OFR185-iN2O with low O2 or using Hg lamps with higher 185-nm-to-254-nm ratio can improve performance. OFR185-iN2O experiments should generally be conducted at higher relative humidity, higher UV, lower concentration of non-NOy external OH reactants, and percent-level N2O. OFR185-cNO and OFR185-iN2O at optimal NO precursor injection rate (~2 ppb/s) or concentration (~3%) would have satisfactory performance in typical field studies where ambient air is oxidized. Finally, we provide exposure estimation equations to aid experimental planning. This work enables improved high-NO OFR experimental design and interpretation.« less

Model Evaluation of New Techniques for Maintaining High-NO Conditions in Oxidation Flow Reactors for the Study of OH-Initiated Atmospheric Chemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, Zhe; Palm, Brett B.; Day, Douglas A.

Oxidation flow reactors (OFRs) efficiently produce OH radicals using low-pressure Hg-lamp emissions at λ=254 nm (OFR254) or both λ=185 and 254 nm (OFR185). OFRs under most conditions are limited to studying low-NO chemistry (where RO2+HO2 dominates RO2 fate), even though substantial amounts of initial NO may be injected. This is due to very fast NO oxidation by high concentrations of OH, HO2, and O3. Here, we model new techniques for maintaining high-NO conditions in OFRs, i.e., continuous NO addition along the length of the reactor in OFR185 (OFR185-cNO), recently proposed injection of N2O at the entrance of the reactor inmore » OFR254 (OFR254-iN2O), and an extension of that idea to OFR185 (OFR185-iN2O). For these techniques, we evaluate (1) fraction of conditions dominated by RO2+NO while avoiding significant non-tropospheric photolysis and (2) fraction of conditions where reactions of precursors with OH dominate over unwanted reactions with NO3. OFR185-iN2O is the most practical for general high-NO experiments since it represents the best compromise between experimental complexity and performance upon proper usage. Short lamp distances are recommended for OFR185-iN2O to ensure a relatively uniform radiation field. OFR185-iN2O with low O2 or using Hg lamps with higher 185-nm-to-254-nm ratio can improve performance. OFR185-iN2O experiments should generally be conducted at higher relative humidity, higher UV, lower concentration of non-NOy external OH reactants, and percent-level N2O. OFR185-cNO and OFR185-iN2O at optimal NO precursor injection rate (~2 ppb/s) or concentration (~3%) would have satisfactory performance in typical field studies where ambient air is oxidized. Finally, we provide exposure estimation equations to aid experimental planning. This work enables improved high-NO OFR experimental design and interpretation.« less

Novel Hydrogen Hydrate Structures under Pressure

PubMed Central

Qian, Guang-Rui; Lyakhov, Andriy O.; Zhu, Qiang; Oganov, Artem R.; Dong, Xiao

2014-01-01

Gas hydrates are systems of prime importance. In particular, hydrogen hydrates are potential materials of icy satellites and comets, and may be used for hydrogen storage. We explore the H2O–H2 system at pressures in the range 0–100 GPa with ab initio variable-composition evolutionary simulations. According to our calculation and previous experiments, the H2O–H2 system undergoes a series of transformations with pressure, and adopts the known open-network clathrate structures (sII, C0), dense “filled ice” structures (C1, C2) and two novel hydrate phases. One of these is based on the hexagonal ice framework and has the same H2O:H2 ratio (2:1) as the C0 phase at low pressures and similar enthalpy (we name this phase Ih-C0). The other newly predicted hydrate phase has a 1:2 H2O:H2 ratio and structure based on cubic ice. This phase (which we name C3) is predicted to be thermodynamically stable above 38 GPa when including van der Waals interactions and zero-point vibrational energy, and explains previously mysterious experimental X-ray diffraction and Raman measurements. This is the hydrogen-richest hydrate and this phase has a remarkable gravimetric density (18 wt.%) of easily extractable hydrogen. PMID:25001502

Experimental evaluation of rigor mortis. V. Effect of various temperatures on the evolution of rigor mortis.

PubMed

Krompecher, T

1981-01-01

Objective measurements were carried out to study the evolution of rigor mortis on rats at various temperatures. Our experiments showed that: (1) at 6 degrees C rigor mortis reaches full development between 48 and 60 hours post mortem, and is resolved at 168 hours post mortem; (2) at 24 degrees C rigor mortis reaches full development at 5 hours post mortem, and is resolved at 16 hours post mortem; (3) at 37 degrees C rigor mortis reaches full development at 3 hours post mortem, and is resolved at 6 hours post mortem; (4) the intensity of rigor mortis grows with increase in temperature (difference between values obtained at 24 degrees C and 37 degrees C); and (5) and 6 degrees C a "cold rigidity" was found, in addition to and independent of rigor mortis.

C isotope fractionation during heterotrophic activity driven carbonate precipitation

NASA Astrophysics Data System (ADS)

Balci, Nurgul; Demirel, Cansu

2016-04-01

Stable carbon isotopic fractionation during carbonate precipitation induced by environmentally enriched heterotrophic halophilic microorganims was experimentally investigated under various salinity (% 4.5, %8, %15) conditions at 30 °C. Halophilic heterotrophic microorganims were enriched from a hypersaline Lake Acigöl located in SW Turkey (Balci et al.,2015) and later used for the precipitation experiments (solid and liquid medium). The carbonate precipitates had relatively high δ13C values (-4.3 to -16.9 ‰) compared to the δ13C values of the organic compounds that ranged from -27.5 to -25.4 ‰. At salinity of 4.5 % δ13C values of carbonate ranged from -4.9 ‰ to -10.9 ‰ with a 13C-enrichment factor of +20 to +16 ‰ higher than the δ13C values of the associated DOC (-27.5) . At salinity 8 % δ13C values of carbonate ranged from -16.3 ‰ to -11.7 ‰ with a 13C-enrichment factor of+11.3 to+15.9 ‰ higher than the δ13C values of the associated DOC. The respected values for 15 % salinity ranged from -12.3 ‰ to -9.7 ‰ with a 13C-enrichment factor of +15.2 to+16.8 ‰ higher than the δ13C values of the associated DOC. The carbonate precipitates produced in the solid medium are more enriched in 13C relative to liquid culture experiments. These results suggest that the carbon in the solid was derived from both the bacterial oxidation of organic compounds in the medium and from the atmospheric CO2. A solid medium used in the experiments may have suppressed convective and advective mass transport favouring diffusion-controlled system. This determination suggests that the rate and equilibration of CO2 exchange with the atmosphere is the major control on C isotope composition of carbonate minerals precipitated in the experiments. Key words: Lake Acıgöl, halophilic bacteria, carbonate biomineralization, C isotopes References Nurgul Balci, Meryem Menekşe, Nevin Gül Karagüler, M. Şeref Sönmez,Patrick Meister 2015.Reproducing authigenic carbonate precipitation inthe hypersaline Lake Acıgöl (Turkey) with microbial cultures. Geomicrobiology Journal DOI: 10.1080/01490451.2015.1099763. TUBITAK (The Scientific and Technological Research Council of Turkey) Grant to N. BALCI (113Y464).

NMR crystallography to probe the breathing effect of the MIL-53(Al) metal-organic framework using solid-state NMR measurements of 13C-27Al distances.

PubMed

Giovine, Raynald; Volkringer, Christophe; Trébosc, Julien; Amoureux, Jean Paul; Loiseau, Thierry; Lafon, Olivier; Pourpoint, Frédérique

2017-03-01

The metal-organic framework MIL-53(Al) (aluminium terephthalate) exhibits a structural transition between two porous structures with large pore (lp) or narrow pore (np) configurations. This transition, called the breathing effect, is observed upon changes in temperature or external pressure, as well as with the adsorption of guest molecules, such as H 2 O, within the pores. We show here how these different pore openings can be detected by observing the dephasing of 13 C magnetization under 13 C- 27 Al dipolar couplings using Rotational-Echo Saturation-Pulse Double-Resonance (RESPDOR) solid-state NMR experiments with Simultaneous Frequency and Amplitude Modulation (SFAM) recoupling. These double-resonance NMR experiments between 13 C and 27 Al nuclei, which have close Larmor frequencies, are feasible thanks to the use of a frequency splitter. The experimental SFAM-RESPDOR signal fractions agree well with those simulated from the MIL-53(Al)-lp and -np crystal structures obtained from powder X-ray diffraction analysis. Hence, these 13 C- 27 Al solid-state NMR experiments validate these structures and confirm their rigidity. A similar agreement is reported for the framework ligands in the as-synthesized (as) MIL-53(Al), in which the pores contain free ligands. Furthermore, in this case, 13 C-{ 27 Al} SFAM-RESPDOR experiments allow an estimation of the average distance between the free ligands and the 27 Al nuclei of the framework.

Generation of Hydrogen and Methane during Experimental Low-Temperature Reaction of Ultramafic Rocks with Water

NASA Astrophysics Data System (ADS)

McCollom, Thomas M.; Donaldson, Christopher

2016-06-01

Serpentinization of ultramafic rocks is widely recognized as a source of molecular hydrogen (H2) and methane (CH4) to support microbial activity, but the extent and rates of formation of these compounds in low-temperature, near-surface environments are poorly understood. Laboratory experiments were conducted to examine the production of H2 and CH4 during low-temperature reaction of water with ultramafic rocks and minerals. Experiments were performed by heating olivine or harzburgite with aqueous solutions at 90°C for up to 213 days in glass bottles sealed with butyl rubber stoppers. Although H2 and CH4 increased steadily throughout the experiments, the levels were very similar to those found in mineral-free controls, indicating that the rubber stoppers were the predominant source of these compounds. Levels of H2 above background were observed only during the first few days of reaction of harzburgite when CO2 was added to the headspace, with no detectable production of H2 or CH4 above background during further heating of the harzburgite or in experiments with other mineral reactants. Consequently, our results indicate that production of H2 and CH4 during low-temperature alteration of ultramafic rocks may be much more limited than some recent experimental studies have suggested. We also found no evidence to support a recent report suggesting that spinels in ultramafic rocks may stimulate H2 production. While secondary silicates were observed to precipitate during the experiments, formation of these deposits was dominated by Si released by dissolution of the glass bottles, and reaction of the primary silicate minerals appeared to be very limited. While use of glass bottles and rubber stoppers has become commonplace in experiments intended to study processes that occur during serpentinization of ultramafic rocks at low temperatures, the high levels of H2, CH4, and SiO2 released during heating indicate that these reactor materials are unsuitable for this purpose.

Development of Compact Toroid Injector for C-2 FRCs

NASA Astrophysics Data System (ADS)

Matsumoto, Tadafumi; Sekiguchi, Junichi; Asai, Tomohiko; Gota, Hiroshi; Garate, Eusebio; Allfrey, Ian; Valentine, Travis; Smith, Brett; Morehouse, Mark; TAE Team

2014-10-01

Collaborative research project with Tri Alpha Energy has been started and we have developed a new compact toroid (CT) injector for the C-2 device, mainly for fueling field-reversed configurations (FRCs). The CT is formed by a magnetized coaxial plasma-gun (MCPG), which consists of coaxial cylinder electrodes; a spheromak-like plasma is generated by discharge and pushed out from the gun by Lorentz force. The inner diameter of outer electrode is 83.1 mm and the outer diameter of inner electrode is 54.0 mm. The surface of the inner electrode is coated with tungsten in order to reduce impurities coming out from the electrode. The bias coil is mounted inside of the inner electrode. We have recently conducted test experiments and achieved a supersonic CT translation speed of up to ~100 km/s. Other typical plasma parameters are as follows: electron density ~ 5 × 1021 m-3, electron temperature ~ 40 eV, and the number of particles ~0.5-1.0 × 1019. The CT injector is now planned to be installed on C-2 and the first CT injection experiment will be conducted in the near future. The detailed MCPG design as well as the test experimental results will be presented.

Effect of fO2 on phase relationship in basaltic andesites during magmatic differentiation: Control of fO2 and sulphur speciation in piston cylinder experiments.

NASA Astrophysics Data System (ADS)

Matjuschkin, Vladimir; Tattitch, Brian; Blundy, Jonathan D.; Skora, Susanne

2014-05-01

Within the mantle wedge above subduction zones, oxidation reaction take place by interaction of reduced mantle rocks with more oxidized, hydrous fluids, which can cause a local drop of the solidus, resulting in partial melting (2,6,7). The resultant melts are more oxidized that their ocean floor counterparts, which has implications for their subsequent differentiation paths, the speciation of multivalent elements and the solubility and transport of chemical compounds in magmatic systems (1,4,5). We present a series of sulphur-doped high-pressure experiments conducted to investigate the effect of oxygen fugacity on phase relationships and the behaviour of sulphur in silicate melts. Natural aphyric andesite (FM37) erupted from Laguna del Maule volcano, Chile (3) was selected as a starting composition. Experiments were carried out at 5kbar, 950-1150° C and variable oxygen fugacity conditions. New experiments buffered at Co-CoO and Ni-NiO buffer conditions have been performed using a new "MTB capsule design" developed in order to accurately control fO2 by means of a double capsule containing metal-oxide buffers and a pyrex sleeve to minimise H2 diffusion. This new design constrains oxygen fugacity to within ±0.1-0.2logfO2 units of the target value. Before conducting these experiments, the assemblage was tested multiple times at 10kbar, 1000° C over 24-48 hours and demonstrated consistent, accurate fO2 control. Analyses of the preliminary experimental run products, from a related Chilean basaltic andesite starting composition, demonstrate a clear effect of fO2 on phase relationships and the proportion of melt generated during experiments. Under oxidized conditions, as temperature decreased from 1150° C to 1050° C, the amount of melt decreased from 100% to ~80%, due to the formation of orthopyroxene, anhydrite and plagioclase. In contrast, in reduced runs the system remains nearly liquid (~5% crystals) down to 950° C due to the change in sulphur speciation and onset of orthopyroxene precipitation at much lower temperatures. The change in temperature from 1150 to 950° C resulted in a drop in S content from ~2500ppm to ~1000ppm in the melt for oxidized experiments, whereas S slightly increased from ~3000 to ~3500ppm in the reduced experiments. Quantitative control over fO2 will allow for more precise determination of phase relations and control of sulphur specification, offering a possibility of detailed reconstruction of metals enrichment in silicate melts. Cited references: [1] Botcharnikov et al. (2011) Nature 4:217-230, [2] Foley (2011) J Petrol 52:1363-1391, [3] Frey et al. (1984) CMP 88:133-149, [4] Jenner et al. (2010) J Petrol 51:2445-2464, [5] Jugo et al. (2010) GCA 74:5926-5938, [6] Rohrbach et al. (2007) Nature 449:456-458, [7] Taylor and Green (1988) Nature 332:349-352

Fundamental aspects of the structural and electrolyte properties of Li2OHCl from simulations and experiment

NASA Astrophysics Data System (ADS)

Howard, Jason; Hood, Zachary D.; Holzwarth, N. A. W.

2017-12-01

Solid-state electrolytes that are compatible with high-capacity electrodes are expected to enable the next generation of batteries. As a promising example, Li2OHCl was reported to have good ionic conductivity and to be compatible with a lithium metal anode even at temperatures above 100 ∘C . In this work, we explore the fundamental properties of Li2OHCl by comparing simulations and experiments. Using calculations based on density functional theory, including both static and dynamic contributions through the quasiharmonic approximation, we model a tetragonal ground state, which is not observed experimentally. An ordered orthorhombic low-temperature phase was also simulated, agreeing with experimental structural analysis of the pristine electrolyte at room temperature. In addition, comparison of the ordered structures with simulations of the disordered cubic phase provide insight into the mechanisms associated with the experimentally observed abrupt increase in ionic conductivity as the system changes from its ordered orthorhombic to its disordered cubic phase. A large Haven ratio for the disordered cubic phase is inferred from the computed tracer diffusion coefficient and measured ionic conductivity, suggesting highly correlated motions of the mobile Li ions in the cubic phase of Li2OHCl . We find that the OH bond orientations participate in gating the Li ion motions which might partially explain the predicted Li-Li correlations.

Experimental constraints on the monazite-fluorapatite-allanite and xenotime-(Y,HREE)-rich fluorapatite-(Y,HREE)-rich epidote phase relations as a function of pressure, temperature, and Ca vs. Na activity in the fluid

NASA Astrophysics Data System (ADS)

Budzyń, Bartosz; Harlov, Daniel E.; Majka, Jarosław; Kozub, Gabriela A.

2014-05-01

Stability relations of monazite-fluorapatite-allanite and xenotime-(Y,HREE)-rich fluorapatite-(Y,HREE)-rich epidote are strongly dependent on pressure, temperature and fluid composition. The increased Ca bulk content expands stability field of allanite relative to monazite towards higher temperatures (Spear, 2010, Chem Geol 279, 55-62). It was also reported from amphibolite facies Alpine metapelites, that both temperature and bulk CaO/Na2O ratio control relative stabilities of allanite, monazite and xenotime (Janots et al., 2008, J Metam Geol 26, 5, 509-526). This study experimentally defines influence of pressure, temperature, high activity of Ca vs. Na in the fluid, and high vs. moderate bulk CaO/Na2O ratio on the relative stabilities of monazite-fluorapatite-allanite/REE-rich epidote and xenotime-(Y,HREE)-rich fluorapatite-(Y,HREE)-rich epidote. This work expands previous experimental study on monazite (Budzyń et al., 2011, Am Min 96, 1547-1567) to wide pressure-temperature range of 2-10 kbar and 450-750°C, utilizing most reactive fluids used in previous experiments. Experiments were performed using cold-seal autoclaves on a hydrothermal line (2-4 kbar runs) and piston-cylinder apparatus (6-10 kbar runs) over 4-16 days. Four sets of experiments, two for monazite and two for xenotime, were performed with 2M Ca(OH)2 and Na2Si2O5 + H2O fluids. The starting materials included inclusion-free crystals of monazite (pegmatite, Burnet County, TX, USA) or xenotime (pegmatite, Northwest Frontier Province, Pakistan) mixed with (1) labradorite (Ab37An60Kfs3) + K-feldspar + biotite + muscovite ± garnet + SiO2 + CaF2 + 2M Ca(OH)2 or (2) albite (Ab100) + K-feldspar + biotite + muscovite ± garnet + SiO2 + CaF2 + Na2Si2O5 + H2O. 20-35 mg of solids and 5 mg of fluid were loaded into 3x15 mm Au capsules and arc welded shut. The monazite alteration is observed in all runs. Newly formed REE-rich fluorapatite and/or britholite are stable in all experimental P-T range in the presence of both fluids. Alteration of monazite and subsequent formation of REE-rich epidote or allanite, REE-rich fluorapatite and britholite was promoted by high activity of Ca in the fluid, with high bulk CaO/Na2O ratio of ca. 11.5 in the system. In contrast, neither REE-rich epidote nor allanite does form in the presence of Na2Si2O5 + H2O fluid, with bulk CaO/Na2O ratio of ca. 1.0. Results indicating that stability field of allanite relative to monazite expands towards higher temperatures along with increased Ca bulk content are consistent with recent thermodynamic modeling of phase equilibria (Spear, 2010). Experiments also support natural observations from the amphibolite-facies Alpine metapelites regarding the influence of CaO/Na2O ratio in bulk content on the relative stabilities of monazite and REE-rich epidote (Janots et al., 2008). Alteration of xenotime is observed in all runs. (Y,HREE)-rich britholite or (Y,HREE)-rich fluorapatite always formed. In contrast to monazite experiments, (Y,HREE)-rich epidote formed only at 650°C and 8-10 kbar, in the presence of 2M Ca(OH)2. Results are partially consistent with natural observations showing that stability of (Y,HREE)-rich epidote is promoted by high Ca bulk content with high CaO/Na2O ratio (Janots et al., 2008). However, experimental results indicate that the relative stabilities of xenotime and (Y,HREE)-rich epidote are strongly controlled by pressure. Acknowledgements. The project was funded by the National Science Center of Poland, grant no. 2011/01/D/ST10/04588.

2015 DOE Final UF Report. Effects of Warming the Deep Soil and Permafrost on Ecosystem Carbon Balance in Alaskan Tundra. A Coupled Measurement and Modeling Approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schuur, Edward

2015-06-11

The major research goal of this project was to understand and quantify the fate of carbon stored in permafrost ecosystems using a combination of field and laboratory experiments to measure isotope ratios and C fluxes in a tundra ecosystem exposed to experimental warming. Field measurements centered on the establishment of a two-factor experimental warming using a snow fence and open top chambers to increase winter and summer temperatures alone, and in combination, at a tundra field site at the Eight Mile Lake watershed near Healy, Alaska. The objective of this experimental warming was to significantly raise air and deep soilmore » temperatures and increase the depth of thaw beyond that of previous warming experiments. Detecting the loss and fate of the old permafrost C pool remains a major challenge. Because soil C has been accumulating in these ecosystems over the past 10,000 years, there is a strong difference between the radiocarbon isotopic composition of C deep in the soil profile and permafrost compared to that near the soil surface. This large range of isotopic variability is unique to radiocarbon and provides a valuable and sensitive fingerprint for detecting the loss of old soil C as permafrost thaws.« less

Synthesis and isomerization of acridine substituted 1,3-thiazolidin-4-ones and 4-oxo-1,3-thiazolidin-5-ylidene acetates. An experimental and computational study

NASA Astrophysics Data System (ADS)

Bečka, Michal; Vilková, Mária; Šoral, Michal; Potočňák, Ivan; Breza, Martin; Béres, Tibor; Imrich, Ján

2018-02-01

Acridine thiosemicarbazones 3a-g, obtained through a two-step reaction between aromatic isothiocyanates and hydrazine followed by the treatment with acridin-9-carbaldehyde, in reaction with bifunctional reagents; methyl bromoacetate (MBA) and diethyl acetylenedicarboxylate (DEAD) afforded acridin-thiazolidinone derivatives 4a-g and 7a-f and not their regioisomers 6a-g and 9a-f. Derivatives 4a-g and 7a-f exhibit ZC2N6EN7C8 configuration. Upon standing in DMSO-d6 the thiazolidinones 4a-g and 7a-f spontaneously isomerized into ZC2N6ZN7C8 isomers 5a-g and 8a-f to give a mixture of the both stereoisomers. All compounds were fully characterized by multinuclear NMR, mass spectrometry (MS) and X-ray crystal structure of 4b is also described. X-ray diffraction study revealed that the representative compound 4b crystallized in the monoclinic crystal system with the C2/c space group and Z = 4. Intramolecular C1‧sbnd H1‧⋯N-7 hydrogen bond between the acridine proton H-1‧ and nitrogen N-7 of linker existed. This hydrogen bond is responsible for the E isomerism on C-8 atom which was observed in the NMR experiments. Quantum-chemical calculations and NOESY experiments confirmed ZC2N6ZN7C8 configuration of the transformed stereoisomers 5a-g and 8a-f.

Overview of C-2U FRC Experimental Program and Plans for C-2W

NASA Astrophysics Data System (ADS)

Gota, H.; Binderbauer, M. W.; Tajima, T.; Putvinski, S.; Tuszewski, M.; Dettrick, S.; Korepanov, S.; Smirnov, A.; Thompson, M. C.; Yang, X.; Cappello, M.; Ivanov, A. A.; TAE Team

2016-10-01

Tri Alpha Energy's experimental program has been focused on a demonstration of reliable field-reversed configuration (FRC) formation and sustainment, driven by fast ions via high-power neutral-beam (NB) injection. The world's largest compact-toroid experimental devices, C-2 and C-2U, have successfully produced a well-stabilized, sustainable FRC plasma state with NB injection (input power, PNB 10 + MW; 15 keV hydrogen) and end-on coaxial plasma guns. Remarkable improvements in confinement and stability of FRC plasmas have led to further improved fast-ion build up; thereby, an advanced beam-driven FRC state has been produced and sustained for up to 5 + ms (longer than all characteristic system time scales), only limited by hardware and electric supply constraints such as NB and plasma-gun power supplies. To further improve the FRC performance the C-2U device is being replaced by C-2W featuring higher injected NB power, longer pulse duration as well as enhanced edge-biasing systems and substantially upgraded divertors. Main C-2U experimental results and key features of C-2W will be presented. Tri Alpha Energy, Inc.

Si(111) strained layers on Ge(111): Evidence for c (2 ×4 ) domains

NASA Astrophysics Data System (ADS)

Zhachuk, R.; Coutinho, J.; Dolbak, A.; Cherepanov, V.; Voigtländer, B.

2017-08-01

The tensile-strained Si (111 ) layers grown on top of Ge (111 ) substrates are studied by combining scanning tunneling microscopy, low-energy electron diffraction, and first-principles calculations. It is shown that the layers exhibit c (2 ×4 ) domains, which are separated by domain walls along <1 ¯10 > directions. A model structure for the c (2 ×4 ) domains is proposed, which shows low formation energy and good agreement with the experimental data. The results of our calculations suggest that Ge atoms are likely to replace Si atoms with dangling bonds on the surface (rest-atoms and adatoms), thus significantly lowering the surface energy and inducing the formation of domain walls. The experiments and calculations demonstrate that when surface strain changes from compressive to tensile, the (111) reconstruction converts from dimer-adatom-stacking fault-based to adatom-based structures.

SPRUCE Deep Peat Microbial Diversity, CO2 and CH4 Production in Response to Nutrient, Temperature, and pH Treatments during Incubation Studies.

DOE Data Explorer

A., Kluber Laurel [Oak Ridge National Laboratory, U.S. Department of Energy, Oak Ridge, Tennessee, U.S.A.; Allen, Samantha A. [Oak Ridge National Laboratory, U.S. Department of Energy, Oak Ridge, Tennessee, U.S.A.; Hendershot, Nicholas [Oak Ridge National Laboratory, U.S. Department of Energy, Oak Ridge, Tennessee, U.S.A.; Hanson, Paul J. [Oak Ridge National Laboratory, U.S. Department of Energy, Oak Ridge, Tennessee, U.S.A.; Schadt, Christopher W. [Oak Ridge National Laboratory, U.S. Department of Energy, Oak Ridge, Tennessee, U.S.A.

2014-09-01

This data set contains the results of a microcosm incubation study on deep peat collected from the SPRUCE experimental site in the S1 Bog in September 2014. Microcosms were monitored for CO2 and CH4 production, and microbial community dynamics were assessed using qPCR and amplicon sequencing.The experiment was designed with a full factorial design with elevated temperature, nitrogen (N), (P), and pH treatments was used with samples from each transect serving replicates. In all, 96 microcosms were constructed to account for the 16 treatment combinations (N x P x pH x temperature), 2 time points, and 3 replicates. Temperature treatments were 6 °C, to mimic the SPRUCE ambient plot temperatures, and 15 °C to mimic the SPRUCE +9 °C treatment.