Hyperspectral Geobotanical Remote Sensing for Monitoring and Verifying CO<sub>2sub> Containment Final Report CRADA No. TC-2036-02

Energy Technology Data Exchange (ETDEWEB)

Pickles, W. L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ebrom, D. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-09-28

This collaborative effort was in support of the CO<sub>2sub> Capture Project (CCP), to develop techniques that integrate overhead images of plant species, plant health, geological formations, soil types, aquatic, and human use spatial patterns for detection and discrimination of any CO<sub>2sub> releases from underground storage formations. The goal of this work was to demonstrate advanced hyperspectral geobotanical remote sensing methods to assess potential leakage of CO<sub>2sub> from underground storage. The timeframes and scales relevant to the long-term storage of CO<sub>2sub> in the subsurface make remote sensing methods attractive. Moreover, it has been shown that individual field measurements of gas composition are subject to variability on extremely small temporal and spatial scales. The ability to verify ultimate reservoir integrity and to place individual surface measurements into context will be crucial to successful long-term monitoring and verification activities. The desired results were to produce a defined and tested procedure that could be easily used for long-term monitoring of possible CO<sub>2sub> leakage from underground CO<sub>2sub> sequestration sites. This testing standard will be utilized on behalf of the oil industry.

Violet Grove CO{sub 2} injection project : monitoring with timelapse VSP surveys

Energy Technology Data Exchange (ETDEWEB)

Coueslan, M.; Lawton, D. [Calgary Univ., Calgary, AB (Canada); Jones, M. [Schlumberger Canada Ltd., Calgary, AB (Canada)

2006-07-01

Several oil and gas fields in western Canada have been depleted through primary production and secondary recovery methods. Injecting carbon dioxide (CO{sub 2}) into a reservoir can enhance oil recovery (EOR) and has the potential benefit of CO{sub 2} sequestration, which reduces greenhouse gas emissions into the atmosphere. It has been estimated that western Canada has a practical CO{sub 2} storage capacity of about 3.3 Gt in its oil and gas reservoirs. In order to claim a reduction in CO{sub 2} emissions, however, the injected CO{sub 2} must be monitored to prove that it is being trapped in these reservoirs. For that reason, the Violet Grove site, near Drayton Valley, Alberta was chosen as a pilot site to study CO{sub 2} injection into a reservoir for enhanced recovery and carbon sequestration purposes. The reservoir is located in the Cardium Formation in the Pembina Field. It was expected that the CO{sub 2} would flow preferentially in the reservoir's dominant fracture orientation, which is northeast-southwest. Simultaneously acquired time-lapse multicomponent surface and borehole seismic surveys were used to monitor changes in the reservoir. Prior to CO{sub 2} injection, a baseline survey was acquired in March 2005. A second survey was acquired 8 months after CO{sub 2} injection. The borehole seismic data displayed higher bandwidth and increased resolution compared to the surface seismic data. The PS-wave borehole seismic data in particular showed much better results. Together, these seismic surveys provide lateral coverage of the area as well as high resolution images near the observation well. Preliminary results from the time-lapse analysis show an increase of 30 to 60 per cent in the reservoir reflectivity amplitudes in the 8 months between the baseline and monitor surveys, suggesting that the CO{sub 2} flood has progressed southwest of the injector, most likely along the dominant fracture trend. 7 refs., 5 figs.

Photoemission study of metallic iron nanoparticles surface aging in biological fluids. Influence on biomolecules adsorption

Energy Technology Data Exchange (ETDEWEB)

Canivet, L.; Denayer, F.O. [Université de Lille 2, Droit et Santé, 42 rue P. Duez, 59000 Lille (France); Champion, Y.; Cenedese, P. [CNRS-ICMPE, 2 rue H. Dunant, 94320 Thiais (France); Dubot, P., E-mail: pdubot@icmpe.cnrs.fr [CNRS-ICMPE, 2 rue H. Dunant, 94320 Thiais (France)

2014-07-01

Iron nanoparticles (nFe) prepared by vaporization and cryogenic condensation process (10–100 nm) has been exposed to Hank's balanced salt solution (HBSS) and the B-Ali cell growth fluids. These media can be used for cellular growth to study nFe penetration through cell membrane and its induced cytotoxicity. Surface chemistry of nFe exposed to such complex fluids has been characterized as the nanoparticles surface can be strongly changed by adsorption or corrosion processes before reaching intracellular medium. Particle size and surface chemistry have been characterized by scanning electron microscopy (SEM) and high-resolution X-ray photoelectron spectroscopy (HR-XPS). Exposition of nFe particles to growth and differentiation media leads to the formation of an oxy-hydroxide layer containing chlorinated species. We found that the passivated Fe{sub 2}O{sub 3} layer of the bare nFe particles is rapidly transformed into a thicker oxy-hydroxide layer that has a greater ability to adsorb molecular ions or ionic biomolecules like proteins or DNA.

Photoresponsive surface molecularly imprinted polymer on ZnO nanorods for uric acid detection in physiological fluids

Energy Technology Data Exchange (ETDEWEB)

Tang, Qian [The Key Laboratory of Applied Chemistry of Chongqing Municipality, College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Department of Science and Environmental Studies, The Hong Kong Institute of Education (Hong Kong); Li, Zai-yong; Wei, Yu-bo; Yang, Xia; Liu, Lan-tao [The Key Laboratory of Applied Chemistry of Chongqing Municipality, College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Gong, Cheng-bin, E-mail: gongcbtq@swu.edu.cn [The Key Laboratory of Applied Chemistry of Chongqing Municipality, College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Ma, Xue-bing [The Key Laboratory of Applied Chemistry of Chongqing Municipality, College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Lam, Michael Hon-wah [Department of Biology and Chemistry, City University of Hong Kong (Hong Kong); Chow, Cheuk-fai, E-mail: cfchow@ied.edu.hk [Department of Science and Environmental Studies, The Hong Kong Institute of Education (Hong Kong)

2016-09-01

A photoresponsive surface molecularly imprinted polymer for uric acid in physiological fluids was fabricated through a facile and effective method using bio-safe and biocompatible ZnO nanorods as a support. The strategy was carried out by introducing double bonds on the surface of the ZnO nanorods with 3-methacryloxypropyltrimethoxysilane. The surface molecularly imprinted polymer on ZnO nanorods was then prepared by surface polymerization using uric acid as template, water-soluble 5-[(4-(methacryloyloxy)phenyl)diazenyl]isophthalic acid as functional monomer, and triethanolamine trimethacryl ester as cross-linker. The surface molecularly imprinted polymer on ZnO nanorods showed good photoresponsive properties, high recognition ability, and fast binding kinetics toward uric acid, with a dissociation constant of 3.22 × 10{sup −5} M in aqueous NaH{sub 2}PO{sub 4} buffer at pH = 7.0 and a maximal adsorption capacity of 1.45 μmol g{sup −1}. Upon alternate irradiation at 365 and 440 nm, the surface molecularly imprinted polymer on ZnO nanorods can quantitatively uptake and release uric acid. - Highlights: • Novel surface molecularly imprinted polymer on ZnO nanorods was synthesized. • ZnO-SMIP showed good selectivity toward uric acid in physiological fluids. • ZnO-SMIP displayed good photoresponsive properties.

Surface exchange kinetics and chemical diffusivities of BaZr{sub 0.2}Ce{sub 0.65}Y{sub 0.15}O{sub 3−δ} by electrical conductivity relaxation

Energy Technology Data Exchange (ETDEWEB)

Lim, Dae-Kwang; Jeon, Sang-Yun; Singh, Bhupendra [Ionics Lab, School of Materials Science and Engineering, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwang-Ju 500-757 (Korea, Republic of); Park, Jun-Young [Department of Advanced Materials Engineering, Sejong University, Seoul 143-747 (Korea, Republic of); Song, Sun-Ju, E-mail: song@chonnam.ac.kr [Ionics Lab, School of Materials Science and Engineering, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwang-Ju 500-757 (Korea, Republic of)

2014-10-15

Highlights: • Electrical conductivity relaxation in BaCe{sub 0.65}Zr{sub 0.2}Y{sub 0.15}O{sub 3−δ} was monitored. • Monotonic relaxation behavior was observed during oxidation/reduction. • Nonmonotonic twofold relaxation behavior was observed during hydration/dehydration. • Surface exchange coefficients and diffusivities of O and H were calculated. - Abstract: Perovskite-type oxide BaCe{sub 0.65}Zr{sub 0.2}Y{sub 0.15}O{sub 3−δ} (BCZY2015) was synthesized by a solid state reaction method. BCZY2015 samples were characterized by powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). The time dependent variation in electrical conductivity of BCZY2015 was monitored during the oxidation/reduction in oxygen partial pressure (pO{sub 2}) range of −2.28 ⩽ log (pO{sub 2}/atm) ⩽ −0.68 at a fixed water vapor pressure (pH{sub 2}O), and during the hydration/dehydration in −3.15 ⩽ log (pH{sub 2}O/atm) ⩽ −2.35 range in air. The electrical conductivity showed a monotonic relaxation behavior by the ambipolar diffusion of V{sub o}{sup ··} and OH{sub o}{sup ·} during the oxidation/reduction and the relaxation process was governed by the diffusivity of oxygen (D-tilde{sub vO}). On the other hand, during the hydration/dehydration process, a non-monotonic twofold relaxation behavior was observed due to the decoupled diffusion of H and O components with the mediation of holes, and the conductivity relaxation process was governed by the diffusivities of both H (D-tilde{sub iH}) and O (D-tlde{sub vH}). The values of surface exchange coefficients and diffusivities of oxygen and hydrogen were calculated from Fick’s second law by the nonlinear least squares fitting of the conductivity data, as proposed by Yoo et al. (2008)

Radioactive surface contamination monitors

International Nuclear Information System (INIS)

Aoyama, Kei; Minagoshi, Atsushi; Hasegawa, Toru

1994-01-01

To reduce radiation exposure and prevent contamination from spreading, each nuclear power plant has established a radiation controlled area. People and articles out of the controlled area are checked for the surface contamination of radioactive materials with surface contamination monitors. Fuji Electric has repeatedly improved these monitors on the basis of user's needs. This paper outlines typical of a surface contamination monitor, a personal surface contamination monitor, an article surface contamination monitor and a laundry monitor, and the whole-body counter of an internal contamination monitor. (author)

On-line monitoring of fluid bed granulation by photometric imaging.

Science.gov (United States)

Soppela, Ira; Antikainen, Osmo; Sandler, Niklas; Yliruusi, Jouko

2014-11-01

This paper introduces and discusses a photometric surface imaging approach for on-line monitoring of fluid bed granulation. Five granule batches consisting of paracetamol and varying amounts of lactose and microcrystalline cellulose were manufactured with an instrumented fluid bed granulator. Photometric images and NIR spectra were continuously captured on-line and particle size information was extracted from them. Also key process parameters were recorded. The images provided direct real-time information on the growth, attrition and packing behaviour of the batches. Moreover, decreasing image brightness in the drying phase was found to indicate granule drying. The changes observed in the image data were also linked to the moisture and temperature profiles of the processes. Combined with complementary process analytical tools, photometric imaging opens up possibilities for improved real-time evaluation fluid bed granulation. Furthermore, images can give valuable insight into the behaviour of excipients or formulations during product development. Copyright © 2014 Elsevier B.V. All rights reserved.

CO{sub 2}-based supercritical fluids as environmentally-friendly processing solvents

Energy Technology Data Exchange (ETDEWEB)

Rubin, J.B.; Davenhall, L.B.; Taylor, C.M.V.; Pierce, T. [Los Alamos National Lab., NM (United States). Physical Organic Chemistry Group; Tiefert, K. [Hewlett-Packard Co., Inc., Santa Clara, CA (United States)

1999-03-01

The production of integrated circuits involves a number of discrete steps that utilize hazardous or regulated solvents. Environmental, safety and health considerations associated with these chemicals have prompted a search for alternative, more environmentally benign, solvent systems. An emerging technology for conventional solvent replacement is the use of supercritical fluids based on carbon dioxide (CO{sub 2}). Supercritical CO{sub 2} (SCCO{sub 2}) is an excellent choice for IC manufacturing processes since it is non-toxic, non-flammable, inexpensive, and is compatible with all substrate and metallizations systems. Also, conditions of temperature and pressure needed to achieve the supercritical state are easily achievable with existing process equipment. The authors first describe the general properties of supercritical fluids, with particular emphasis on their application as alternative solvents. Next, they review some of the work which has been published involving the use of supercritical fluids, and particularly CO{sub 2}, as they may be applied to the various steps of IC manufacture, including wafer cleaning, thin film deposition, etching, photoresist stripping, and waste treatment. Next, they describe the research work conducted at Los Alamos, on behalf of Hewlett-Packard, on the use of SCCO{sub 2} in a specific step of the IC manufacturing process: the stripping of hard-baked photoresist.

A distributed fluid level sensor suitable for monitoring fuel load on board a moving fuel tank

Science.gov (United States)

Arkwright, John W.; Parkinson, Luke A.; Papageorgiou, Anthony W.

2018-02-01

A temperature insensitive fiber Bragg grating sensing array has been developed for monitoring fluid levels in a moving tank. The sensors are formed from two optical fibers twisted together to form a double helix with pairs of fiber Bragg gratings located above one another at the points where the fibers are vertically disposed. The sensing mechanism is based on a downwards deflection of the section of the double helix containing the FBGs which causes the tension in the upper FBG to decrease and the tension in the lower FBG to increase with concomitant changes in Bragg wavelength in each FBG. Changes in ambient temperature cause a common mode increase in Bragg wavelength, thus monitoring the differential change in wavelength provides a temperature independent measure of the applied pressure. Ambient temperature can be monitored simultaneously by taking the average wavelength of the upper and lower FBGs. The sensors are able to detect variations in pressure with resolutions better than 1 mmH2O and when placed on the bottom of a tank can be used to monitor fluid level based on the recorded pressure. Using an array of these sensors located along the bottom of a moving tank it was possible to monitor the fluid level at multiple points and hence dynamically track the total fluid volume in the tank. The outer surface of the sensing array is formed from a thin continuous Teflon sleeve, making it suitable for monitoring the level of volatile fluids such as aviation fuel and gasoline.

Oxidation Behavior of Surface-modified Stainless Steel 316LN in Supercritical-CO{sub 2} Environment

Energy Technology Data Exchange (ETDEWEB)

Kim, Sung Hwan; Heo, Jin Woo; Kim, Hyunm Yung; Jang, Chang Heui [KAIST, Daejeon (Korea, Republic of)

2016-05-15

Compared to other working fluids such as helium or nitrogen, S-CO{sub 2} offers a higher efficiency at operating temperatures of advanced reactors above 550 .deg. C. Moreover, the S-CO{sub 2} cycle is expected to have a significantly smaller footprint compared to other power conversion cycles, resulting in a broader range of applications with lower capital costs. Currently, stainless steel 316 is considered as the candidate structural material for the SFR. In comparison, it is well known that alumina (Al{sub 2}O{sub 3}) have superior oxidation and carburization resistance specifically at higher temperatures where α-Al{sub 2}O{sub 3} may form. Thus, various surface modification techniques have been applied to mostly Ni-base alloys so that a protective and continuous Al-rich oxide layer forms on the surface, conferring superior oxidation and carburization resistance. In this study, SS 316LN was deposited with Al via physical vapor deposition (PVD) method followed by heat treatment processes to develop an Al-rich layer at the surface. The specimens are to be exposed to high temperature S-CO{sub 2} environment to evaluate the oxidation and carburization resistance. Stainless steel 316LN was surface-modified to develop an Al-rich layer for improvement of oxidation behavior in S-CO{sub 2} environment. As the test temperature of 600 .deg. C is not sufficiently high for the formation of protective α-Al{sub 2}O{sub 3} formation, pre-oxidation of surface modified SS 316LN was conducted.

A shallow subsurface controlled release facility in Bozeman, Montana, USA, for testing near surface CO<sub>2sub> detection techniques and transport models

Energy Technology Data Exchange (ETDEWEB)

Spangler, Lee H. [Montana State Univ., Bozeman, MT (United States). Dept. of Chemistry and Biochemistry; Dobeck, Laura M. [Montana State Univ., Bozeman, MT (United States). Dept. of Chemistry and Biochemistry; Repasky, Kevin S. [Montana State Univ., Bozeman, MT (United States). Dept. of Electrical and Computer Engineering; Nehrir, Amin R. [Montana State Univ., Bozeman, MT (United States). Dept. of Electrical and Computer Engineering; Humphries, Seth D. [Montana State Univ., Bozeman, MT (United States). Dept. of Electrical and Computer Engineering; Barr, Jamie L. [Montana State Univ., Bozeman, MT (United States). Dept. of Electrical and Computer Engineering; Keith, Charlie J. [Montana State Univ., Bozeman, MT (United States). Dept. of Electrical and Computer Engineering; Shaw, Joseph A. [Montana State Univ., Bozeman, MT (United States). Dept. of Electrical and Computer Engineering; Rouse, Joshua H. [Montana State Univ., Bozeman, MT (United States). Dept. of Electrical and Computer Engineering; Cunningham, Alfred B. [Montana State Univ., Bozeman, MT (United States). Dept. of Civil Engineering; Benson, Sally M. [Stanford Univ., CA (United States). Global Climate and Energy Project; Oldenburg, Curtis M. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Div.; Lewicki, Jennifer L. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Div.; Wells, Arthur W. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Div.; Diehl, J. Rodney [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Div.; Strazisar, Brian R. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Div.; Fessenden, Julianna E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Div. of Earth and Environmental Sciences; Rahn, Thom A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Div. of Earth and Environmental Sciences; Amonette, James E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Barr, Jon L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Pickles, William L. [Univ. of California, Santa Cruz, CA (United States). Earth and Planetary Sciences; Jacobson, James D. [Univ. of California, Santa Cruz, CA (United States). Earth and Planetary Sciences; Silver, Eli A. [Univ. of California, Santa Cruz, CA (United States). Earth and Planetary Sciences; Male, Erin J. [Univ. of California, Santa Cruz, CA (United States). Earth and Planetary Sciences; Rauch, Henry W. [Univ. of West Virginia, Morgantown, WV (United States). Dept. of Geology and Geography; Gullickson, Kadie S. [Montana State Univ., Bozeman, MT (United States). Dept. of Chemistry and Biochemistry; Trautz, Robert [Electric Power Research Inst. (EPRI), Palo Alto, CA (United States); Kharaka, Yousif [U.S. Geological Survey, Menlo Park, CA (United States); Birkholzer, Jens [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Div.; Wielopolski, Lucien [Brookhaven National Lab. (BNL), Upton, NY (United States)

2010-03-01

A controlled field pilot has been developed in Bozeman, Montana, USA, to study near surface CO<sub>2sub> transport and detection technologies. A slotted horizontal well divided into six zones was installed in the shallow subsurface. The scale and CO<sub>2sub> release rates were chosen to be relevant to developing monitoring strategies for geological carbon storage. The field site was characterized before injection, and CO<sub>2sub> transport and concentrations in saturated soil and the vadose zone were modeled. Controlled releases of CO<sub>2sub> from the horizontal well were performed in the summers of 2007 and 2008, and collaborators from six national labs, three universities, and the U. S. Geological Survey investigated movement of CO<sub>2sub> through the soil, water, plants, and air with a wide range of near surface detection techniques. An overview of these results will be presented.

Bi-functional Au/FeS (Au/Co{sub 3}O{sub 4}) composite for in situ SERS monitoring and degradation of organic pollutants

Energy Technology Data Exchange (ETDEWEB)

Ma, Shuzhen; Cai, Qian; Lu, Kailing; Liao, Fan, E-mail: fliao@suda.edu.cn; Shao, Mingwang, E-mail: mwshao@suda.edu.cn [Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices & Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University (China)

2016-01-15

The bi-functional Au/FeS (Au/Co{sub 3}O{sub 4}) composite was fabricated by in situ reducing Au nanoparticles onto the surface of FeS (Co{sub 3}O{sub 4}). The as-prepared FeS possessed a multi-structure composed of plenty of nanoplates, which were coated by Au nanoparticles with an average size of ∼47.5 nm. While the Co{sub 3}O{sub 4} showed a thin hexagonal sheet containing Au nanoparticles on its surface with an average size of ∼79.0 nm. Both the as-prepared Au/FeS and Au/Co{sub 3}O{sub 4} composites exhibited excellent SERS performance, capable of enhancing the Raman signals of R6G molecules with the enhancement factor up to 1.81 × 10{sup 6} and 7.60 × 10{sup 4}, respectively. Moreover, Au/FeS (Au/Co{sub 3}O{sub 4}) composite also has been verified to have intrinsic peroxidase-like activity, which could decompose H{sub 2}O{sub 2} into hydroxyl radicals and then degrade organic pollutants into small molecules. Therefore, SERS can be used to real-time and in situ monitoring the degradation process of R6G molecules, employing the Au/FeS (Au/Co{sub 3}O{sub 4}) composite both as SERS substrate and catalyst. Graphical abstract: SERS was used to real-time and in situ monitoring the degradation of R6G, employing the Au/FeS and Au/Co{sub 3}O{sub 4} composites both as SERS substrates and catalysts.

Surface properties of SmB{sub 6} from X-ray photoemission spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Heming, Nadine; Treske, Uwe; Knupfer, Martin; Koitzsch, Andreas [Institute for Solid State Research, IFW Dresden (Germany); Buechner, Bernd [Institute for Solid State Research, IFW Dresden (Germany); Institut fuer Festkoerperphysik, TU Dresden (Germany); Inosov, Dmytro [Institut fuer Festkoerperphysik, TU Dresden (Germany); Shitsevalova, Natalya Y.; Filipov, Volodymyr B. [Institute for Problems of Material Science, Kiev (Ukraine); Kraus, Stephan [BESSY II, Berlin (Germany)

2015-07-01

The mixed valence compound SmB{sub 6} has been well known for its anomalous low temperature resistivity behavior for decades: At temperatures below 50 K, SmB{sub 6} transmutes from a metal to an insulator but shows residual resistivity for temperatures less than 5 K. Renewed interest in this material comes from theoretical proposals, predicting topological protected surface states making this compound the prime candidate for the new material class of ''Topological Kondo Insulators''. Indeed, elaborate transport experiments have evidenced that the residual conductivity occurs only at the surface. However, it is generally well known that the surface of f-systems undergoes valence changes and reconstructions, which may also influence the surface properties of this material. Applying surface sensitive soft X-ray photoemission spectroscopy, we have investigated the surface properties of freshly cleaved SmB{sub 6} single crystals at 15 K monitoring the Sm valance, the chemical state of boron as well as the surface stoichiometry, and also the development of these over time and with increased temperature: We have found that the surface shows an unexpected complexity stemming from both intrinsic and extrinsic changes.

Flow boiling heat transfer enhancement on copper surface using Fe doped Al{sub 2}O{sub 3}–TiO{sub 2} composite coatings

Energy Technology Data Exchange (ETDEWEB)

Sujith Kumar, C.S., E-mail: sujithdeepam@gmail.com [Department of Mechanical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Suresh, S., E-mail: ssuresh@nitt.edu [Department of Mechanical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Aneesh, C.R., E-mail: aneeshcr87@gmail.com [Department of Mechanical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Santhosh Kumar, M.C., E-mail: santhoshmc@nitt.edu [Department of Physics, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Praveen, A.S., E-mail: praveen_as_1215@yahoo.co.in [Department of Mechanical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Raji, K., E-mail: raji.kochandra@gmail.com [School of Nano Science and Technology, National Institute of Technology, Calicut 673601, Kerala (India)

2015-04-15

Graphical abstract: - Highlights: • Fe–Al{sub 2}O{sub 3}–TiO{sub 2} composite coatings were coated on the copper using spray pyrolysis. • Effect of Fe doping on porosity was determined using AFM. • Effect of Fe doping on hydrophilicity was determined. • Higher enhancement in CHF was obtained for 7.2 at% Fe doped coated sample. - Abstract: In the present work, flow boiling experiments were conducted to study the effect of spray pyrolyzed Fe doped Al{sub 2}O{sub 3}–TiO{sub 2} composite coatings over the copper heater blocks on critical heat flux (CHF) and boiling heat transfer coefficient. Heat transfer studies were conducted in a mini-channel of overall dimension 30 mm × 20 mm × 0.4 mm using de-mineralized water as the working fluid. Each coated sample was tested for two mass fluxes to explore the heat transfer performance. The effect of Fe addition on wettability and porosity of the coated surfaces were measured using the static contact angle metre and the atomic force microscope (AFM), and their effect on flow boiling heat transfer were investigated. A significant enhancement in CHF and boiling heat transfer coefficient were observed on all coated samples compared to sand blasted copper surface. A maximum enhancement of 52.39% and 44.11% in the CHF and heat transfer coefficient were observed for 7.2% Fe doped TiO{sub 2}–Al{sub 2}O{sub 3} for a mass flux of 88 kg/m{sup 2} s.

Surface Ocean CO<sub>2sub> Atlas (SOCAT) gridded data products

Digital Repository Service at National Institute of Oceanography (India)

Sabine, C.L.; Hankin, S.; Koyuk, H.; Bakker, D.C.E.; Pfeil, B.; Olsen, A; Metzl, N.; Kozyr, A; Fassbender, A; Manke, A; Malczyk, J.; Akl, J.; Alin, S.R.; Bellerby, R.G.J.; Borges, A; Boutin, J.; Brown, P.J.; Cai, W.-J.; Chavez, F.P.; Chen, A.; Cosca, C.; Feely, R.A.; Gonzalez-Davila, M.; Goyet, C.; Hardman-Mountford, N.; Heinze, C.; Hoppema, M.; Hunt, C.W.; Hydes, D.; Ishii, M.; Johannessen, T.; Key, R.M.; Kortzinger, A.; Landschutzer, P.; Lauvset, S.K.; Lefevre, N.; Lenton, A.; Lourantou, A.; Merlivat, L.; Midorikawa, T.; Mintrop, L.; Miyazaki, C.; Murata, A.; Nakadate, A.; Nakano, Y.; Nakaoka, S.; Nojiri, Y.; Omar, A.M.; Padin, X.A.; Park, G.-H.; Paterson, K.; Perez, F.F.; Pierrot, D.; Poisson, A.; Rios, A.F.; Salisbury, J.; Santana-Casiano, J.M.; Sarma, V.V.S.S.; et al.

As a response to public demand for a well-documented, quality controlled, publically available, global surface ocean carbon dioxide (CO<sub>2sub>) data set, the international marine carbon science community developed the Surface Ocean CO<sub>2...

Delayed sub-aponeurotic fluid collections in infancy: Three cases and a review of the literature.

Science.gov (United States)

Petraglia, Anthony L; Moravan, Michael J; Marky, Andrew H; Silberstein, Howard J

2010-07-21

Sub-aponeurotic fluid collections (SFCs) in the neonatal period are poorly described in the literature. We describe the occurrence, possible etiologies and treatment of sub-aponeurotic fluid collections following the neonatal period. We present 3 cases of previously healthy children who developed soft, fluctuant, extracranial masses several weeks after birth. All 3 children were seen by a pediatric neurosurgeon after parents noticed scalp masses between 5 and 9 weeks of age. All 3 children were found to be otherwise healthy. Two of the children were born via C-section and 1 child was born vaginally. The vaginal delivery was described as difficult and utilized vacuum assist. Scalp electrodes were placed in all 3 children for intensive monitoring during labor. These children received plain skull x-rays to assess for abnormalities, and 2 of the children underwent a non-contrast brain CT scan to better characterize the fluid collection. Plain x-rays and CT scans showed no abnormalities of the skull or ventricles. In both patients who underwent a CT scan, a soft tissue prominence was noted with a Hounsfield unit similar to water. All cases resolved between 5 and 9 weeks after initial presentation, with no long-term sequelae. SFCs presenting after the neonatal period are usually associated with benign soft tissue swellings. Use of fetal scalp electrodes has been shown to cause cerebrospinal fluid (CSF) leakage in the neonatal period and may result in delayed SFC. This condition is benign, and the recommended course of treatment is conservative management.

Improved GaSb surfaces using a (NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}S0{sub 4} solution

Energy Technology Data Exchange (ETDEWEB)

Murape, D.M., E-mail: Davison.Murape@live.nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Eassa, N.; Nyamhere, C.; Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Betz, R. [Department of Chemistry, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Coetsee, E.; Swart, H.C. [Department of Physics, University of the Free State, PO Box 339, Bloemfontein 9300 (South Africa); Botha, J.R.; Venter, A. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa)

2012-05-15

Bulk (1 0 0) n-GaSb surfaces have been treated with a sulphur based solution ((NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}) to which sulphur has been added, not previously reported for the passivation of GaSb surfaces. Au/n-GaSb Schottky barrier diodes (SBDs) fabricated on the treated material show significant improvement compared to that of the similar SBDs on the as-received material as evidenced by the lower ideality factor (n), higher barrier height ({phi}{sub b}) and lower contact resistance obtained. Additionally, the reverse leakage current, although not saturating, has been reduced by almost an order of magnitude at -0.2 V. The sample surfaces were studied by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The native oxide, Sb-O, present on the as-received material is effectively removed on treating with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}]+S) and (NH{sub 4}){sub 2}S. Analysis of the as-received surface by XPS, prior to and after argon sputtering, suggests that the native oxide layer is {<=}8.5 nm.

Heat Transfer in Complex Fluids

Energy Technology Data Exchange (ETDEWEB)

Mehrdad Massoudi

2012-01-01

fluids show Newtonian (linear) behavior for a given range of parameters or geometries; there are many empirical or semi-empirical constitutive equations suggested for these fluids. There have also been many non-linear constitutive relations which have been derived based on the techniques of continuum mechanics. The non-linearities oftentimes appear due to higher gradient terms or time derivatives. When thermal and or chemical effects are also important, the (coupled) momentum and energy equations can give rise to a variety of interesting problems, such as instability, for example the phenomenon of double-diffusive convection in a fluid layer. In Conclusion, we have studied the flow of a compressible (density gradient type) non-linear fluid down an inclined plane, subject to radiation boundary condition. The heat transfer is also considered where a source term, similar to the Arrhenius type reaction, is included. The non-dimensional forms of the equations are solved numerically and the competing effects of conduction, dissipation, heat generation and radiation are discussed. It is observed that the velocity increases rapidly in the region near the inclined surface and is slower in the region near the free surface. Since R{sub 7} is a measure of the heat generation due to chemical reaction, when the reaction is frozen (R{sub 7}=0.0) the temperature distributions would depend only on R{sub 1}, and R{sub 2}, representing the effects of the pressure force developed in the material due to the distribution, R{sub 3} and R{sub 4} viscous dissipation, R{sub 5} the normal stress coefficient, R{sub 6} the measure of the emissivity of the particles to the thermal conductivity, etc. When the flow is not frozen (RP{sub 7} > 0) the temperature inside the flow domain is much higher than those at the inclined and free surfaces. As a result, heat is transferred away from the flow toward both the inclined surface and the free surface with a rate that increases as R{sub 7} increases. For a

U-tube based near-surface environmental monitoring in the Shenhua carbon dioxide capture and storage (CCS) project.

Science.gov (United States)

Li, Qi; Song, Ranran; Shi, Hui; Ma, Jianli; Liu, Xuehao; Li, Xiaochun

2018-04-01

The CO 2 injected into deep formations during implementation of carbon dioxide (CO 2 ) capture and storage (CCS) technology may leak and migrate into shallow aquifers or ground surfaces through a variety of pathways over a long period. The leaked CO 2 can threaten shallow environments as well as human health. Therefore, almost all monitoring programs for CCS projects around the world contain near-surface monitoring. This paper presents a U-tube based near-surface monitoring technology focusing on its first application in the Shenhua CCS demonstration project, located in the Ordos Basin, Inner Mongolia, China. First, background information on the site monitoring program of the Shenhua CCS demonstration project was provided. Then, the principle of fluid sampling and the monitoring methods were summarized for the U-tube sampler system, and the monitoring data were analyzed in detail. The U-tube based monitoring results showed that the U-tube sampler system is accurate, flexible, and representative of the subsurface fluid sampling process. The monitoring indicators for the subsurface water and soil gas at the Shenhua CCS site indicate good stratification characteristics. The concentration level of each monitoring indicator decreases with increasing depth. Finally, the significance of this near-surface environmental monitoring technology for CO 2 leakage assessments was preliminarily confirmed at the Shenhua CCS site. The application potential of the U-tube based monitoring technology was also demonstrated during the subsurface environmental monitoring of other CCS projects.

Continuous monitoring of fluid flow rate and contemporaneous biogeochemical fluxes in the sub-seafloor; the Mosquito flux meter

Science.gov (United States)

Culling, D. P.; Solomon, E. A.; Kastner, M.; Berg, R. D.

2013-12-01

Fluid flow through marine sediments and oceanic crust impacts seawater chemistry as well as diagenetic, thermal, seismic, and magmatic processes at plate boundaries, creates ore and gas hydrate deposits at and below seafloor, and establishes and maintains deep microbial ecosystems. However, steady-state fluid flow rates, as well as the temporal and spatial variability of fluid flow and composition are poorly constrained in many marine environments. A new, low-cost instrument deployable by ROV or submersible, named the Mosquito, was recently developed to provide continuous, long-term and campaign style monitoring of fluid flow rate and contemporaneous solute fluxes at multiple depths below the sea floor. The Mosquito consists of a frame that houses several osmotic pumps (Osmo-Samplers [OS]) connected to coils of tubing that terminate with an attachment to long thin titanium (Ti) needles, all of which are mounted to a release plate. The OS's consist of an acrylic housing which contains a brine chamber (BC) and a distilled water chamber (DWC) separated by semi permeable membranes. The osmotic gradient between the chambers drives the flow of distilled water into the BC. The DWC is connected to the Teflon tubing coil and a Ti needle, both of which are also filled with distilled water, thus the OS pulls fluid from the base of the needle through the tubing coil. One central Ti needle is attached to a custom-made tracer injection assembly, filled with a known volume of tracer, which is triggered, injecting a point source in the sediment. On a typical Mosquito, 4 needles are mounted vertically at varying depths with respect to the tracer injection needle, and 4 needles are mounted at equal depth but set at variable horizontal distances away from the tracer injection. Once the Mosquito has been placed on the seafloor, the release plate is manually triggered pushing the Ti needles into the sediment, then the tracer injection assembly is actuated. As the tracer is advected

Radiocarbon as a Reactive Tracer for Tracking Permanent CO<sub>2sub> Storage in Basaltic Rocks

Energy Technology Data Exchange (ETDEWEB)

Matter, Juerg [Columbia Univ., New York, NY (United States); Stute, Martin [Columbia Univ., New York, NY (United States); Schlosser, Peter [Columbia Univ., New York, NY (United States); Broecker, Wallace [Columbia Univ., New York, NY (United States)

2015-09-30

In view of concerns about the long-term integrity and containment of CO<sub>2sub> storage in geologic reservoirs, many efforts have been made to improve the monitoring, verification and accounting methods for geologically stored CO<sub>2sub>. Our project aimed to demonstrate that carbon-14 (¹⁴C) could be used as a reactive tracer to monitor geochemical reactions and evaluate the extent of mineral trapping of CO<sub>2sub> in basaltic rocks. The capacity of a storage reservoir for mineral trapping of CO<sub>2sub> is largely a function of host rock composition. Mineral carbonation involves combining CO<sub>2sub> with divalent cations including Ca²⁺, Mg²⁺ and Fe²⁺. The most abundant geological sources for these cations are basaltic rocks. Based on initial storage capacity estimates, we know that basalts have the necessary capacity to store million to billion tons of CO<sub>2sub> via in situ mineral carbonation. However, little is known about CO2-fluid-rock reactions occurring in a basaltic storage reservoir during and post-CO<sub>2sub> injection. None of the common monitoring and verification techniques have been able to provide a surveying tool for mineral trapping. The most direct method for quantitative monitoring and accounting involves the tagging of the injected CO<sub>2sub> with 14C because 14C is not present in deep geologic reservoirs prior to injection. Accordingly, we conducted two CO<sub>2sub> injection tests at the CarbFix pilot injection site in Iceland to study the feasibility of 14C as a reactive tracer for monitoring CO<sub>2sub>-fluid-rock reactions and CO<sub>2sub> mineralization. Our newly developed monitoring techniques, using 14C as a reactive tracer, have been successfully demonstrated. For the first time, permanent and safe disposal of CO<sub>2sub> as environmentally benign carbonate minerals in basaltic rocks could be shown. Over 95% of the injected CO<sub>2sub> at the Carb

Alternative techniques to monitoring the corrosive potential for fluids in submarine pipelines; Tecnicas alternativas para monitorar o potencial corrosivo de fluidos transportados em oleodutos submarinos

Energy Technology Data Exchange (ETDEWEB)

Andrade, Cynthia de Azevedo; Brito, Rosane Fernandes de; Paiva, Eva M. de O. [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES). Tecnologia de Materiais, Equipamentos e Corrosao; Freitas, Nair Domingues de; Salvador, Angelica Dias [PETROBRAS, Macae, RJ (Brazil). Unidade de Negocios da Bacia de Campos

2003-07-01

PETROBRAS in search of being a benchmark in safety, environment and health, established in July 2001 a work group to elaborate a standard for Pipeline Integrity Management. This standard set the requirements for Pipeline Integrity Management and establishes, among others criteria, the actions required to detect, monitor and control internal corrosion of pipelines. The first step to evaluate, monitor and control the internal corrosion is to define the corrosive potential of transported fluids. Some oil pipelines located in central and southern areas of the Campos Basin transport high water cut produced fluids (> 30%) and with demulsifiers, which allow oil and water separation and increase internal corrosion risks. Despite of these, it is not possible to check the internal corrosion rates using conventional techniques because the fluids are produced through sub-sea 'manifolds'. In order to investigate the possibility of corrosion inhibition by crude oils, laboratory tests were performed simulating real field conditions in terms of fluid compositions, water cut and temperature. Experiments were conducted to determine the corrosion rate of specimens, the emulsion stability and the initial temperature of wax precipitation. This paper presents the results of the study realized to define the fluids' corrosive potential of four Campos Basin platforms that are transported through sub-sea 'manifolds. (author)

Surface degradation of Li{sub 1–x}Ni{sub 0.80}Co{sub 0.15}Al{sub 0.05}O{sub 2} cathodes: Correlating charge transfer impedance with surface phase transformations

Energy Technology Data Exchange (ETDEWEB)

Sallis, S. [Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States); Pereira, N.; Faenza, N.; Amatucci, G. G. [Energy Storage Research Group, Department of Materials Science and Engineering, Rutgers University, North Brunswick, New Jersey 08902 (United States); Mukherjee, P.; Cosandey, F. [Department of Materials Science and Engineering, Rutgers University, North Brunswick, New Jersey 08902 (United States); Quackenbush, N. F. [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York 13902 (United States); Schlueter, C.; Lee, T.-L. [Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Yang, W. L. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Piper, L. F. J., E-mail: lpiper@binghamton.edu [Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States); Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York 13902 (United States)

2016-06-27

The pronounced capacity fade in Ni-rich layered oxide lithium ion battery cathodes observed when cycling above 4.1 V (versus Li/Li{sup +}) is associated with a rise in impedance, which is thought to be due to either bulk structural fatigue or surface reactions with the electrolyte (or combination of both). Here, we examine the surface reactions at electrochemically stressed Li{sub 1–x}Ni{sub 0.8}Co{sub 0.15}Al{sub 0.05}O{sub 2} binder-free powder electrodes with a combination of electrochemical impedance spectroscopy, spatially resolving electron microscopy, and spatially averaging X-ray spectroscopy techniques. We circumvent issues associated with cycling by holding our electrodes at high states of charge (4.1 V, 4.5 V, and 4.75 V) for extended periods and correlate charge-transfer impedance rises observed at high voltages with surface modifications retained in the discharged state (2.7 V). The surface modifications involve significant cation migration (and disorder) along with Ni and Co reduction, and can occur even in the absence of significant Li{sub 2}CO{sub 3} and LiF. These data provide evidence that surface oxygen loss at the highest levels of Li{sup +} extraction is driving the rise in impedance.

Simulation of YBa{sub 2}Cu{sub 3}O{sub 7}/MgO surface growth

Energy Technology Data Exchange (ETDEWEB)

Mohammadizadeh, M.R. [Superconductivity Research Laboratory (SRL), Department of Physics, University of Tehran, North Karegar Ave., P.O. Box 14395-547, Tehran (Iran); Computational Physical Sciences Research Laboratory, Department of Nano-Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P.O. Box 19395-5531, Tehran (Iran); Safari, N.; Kia, M.; Savaloni, H. [Superconductivity Research Laboratory (SRL), Department of Physics, University of Tehran, North Karegar Ave., P.O. Box 14395-547, Tehran (Iran)

2006-09-15

For surface growth simulation of YBa{sub 2}Cu{sub 3}O{sub 7} on MgO substrate, binding energies between each two different Y, Ba, Cu, O, and Mg atoms were calculated by ab initio pseudopotential density functional theory approach. Then, simulation of YBa{sub 2}Cu{sub 3}O{sub 7} growth was performed by a simple two dimensional model based on the ballistic aggregation of hard discs. By increasing the substrate temperature, the atomic layers distribution is more condensed and the nanometric surface roughness decreases. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

First-principles study of the (001) surface of cubic Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Wang, Yuan Xu [Computational Materials Science Center, National Institute for Materials Science, Tsukuba 305-0044 (Japan); Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004 (China)

2008-06-15

We have theoretically investigated basic properties of the (001) surface of cubic Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} (BST) by the plane-wave pseudopotential method within the local-density approximation. For the BaSrO{sub 2}-terminated surface, the surface-layer Sr atoms move inward and the surface-layer Ba atoms move outward. Moreover, the displacement of the surface-layer Sr atoms is much larger than the surface-layer Ba atoms. The rumpling of the BaSrO{sub 2}-terminated surface is much larger than that of the Ti{sub 2}O{sub 4}-terminated one. The surface state appears in the band structure of the Ti{sub 2}O{sub 4}-terminated surface of BST. Based on the results of the calculated grand thermodynamic potential, only the BaSrO{sub 2}-terminated surface can exist in the (001) surface of cubic BST. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

European intercomparison workshops on air quality monitoring. Vol. 4. Measuring NO, NO{sub 2}, O{sub 3} and SO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Muecke, H.G.; Kollar, M. [Umweltbundesamt, Berlin (Germany). WHO-Zentrum zur Ueberwachung der Luftguete und Bekaempfung der Luftverschmutzung; Kratz, M.; Medem, A.; Rudolf, W.; Stummer, V.; Sukale, G. [Umweltbundesamt, Langen (Germany). UBA Pilotstation

2000-07-01

This report presents the results of two European Intercomparison Workshops on Air Quality Monitoring (NO, NO{sub 2}, O{sub 3}, and SO{sub 2}). The Workshops were a contribution to continuing quality assurance and quality control activities on air quality monitoring for Member States of the WHO European Region. Fourteen institutes mainly from Central and Eastern Europe used the opportunity to compare their measurement methods (15 manual methods and 24 monitors) and standards. (orig.)

Diagnostic system for measuring temperature, pressure, CO.sub.2 concentration and H.sub.2O concentration in a fluid stream

Science.gov (United States)

Partridge, Jr., William P.; Jatana, Gurneesh Singh; Yoo, Ji Hyung; Parks, II, James E.

2017-12-26

A diagnostic system for measuring temperature, pressure, CO.sub.2 concentration and H.sub.2O concentration in a fluid stream is described. The system may include one or more probes that sample the fluid stream spatially, temporally and over ranges of pressure and temperature. Laser light sources are directed down pitch optical cables, through a lens and to a mirror, where the light sources are reflected back, through the lens to catch optical cables. The light travels through the catch optical cables to detectors, which provide electrical signals to a processer. The processer utilizes the signals to calculate CO.sub.2 concentration based on the temperatures derived from H.sub.2O vapor concentration. A probe for sampling CO.sub.2 and H.sub.2O vapor concentrations is also disclosed. Various mechanical features interact together to ensure the pitch and catch optical cables are properly aligned with the lens during assembly and use.

Magnetic loading of TiO{sub 2}/SiO{sub 2}/Fe{sub 3}O{sub 4} nanoparticles on electrode surface for photoelectrocatalytic degradation of diclofenac

Energy Technology Data Exchange (ETDEWEB)

Hu, Xinyue; Yang, Juan [College of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Luoyu Road 1037, Wuhan 430074 (China); Zhang, Jingdong, E-mail: zhangjd@mail.hust.edu.cn [College of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Luoyu Road 1037, Wuhan 430074 (China)

2011-11-30

Highlights: Black-Right-Pointing-Pointer Magnetic TSF nanoparticles are immobilized on electrode surface with aid of magnet. Black-Right-Pointing-Pointer Magnetically attached TSF electrode shows high photoelectrochemical activity. Black-Right-Pointing-Pointer Diclofenac is effectively degraded on TSF-loaded electrode by photoelectrocatalysis. Black-Right-Pointing-Pointer Photoelectrocatalytic degradation of diclofenac is monitored with voltammetry. - Abstract: A novel magnetic nanomaterials-loaded electrode developed for photoelectrocatalytic (PEC) treatment of pollutants was described. Prior to electrode fabrication, magnetic TiO{sub 2}/SiO{sub 2}/Fe{sub 3}O{sub 4} (TSF) nanoparticles were synthesized and characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and FT-IR measurements. The nanoparticles were dispersed in ethanol and then immobilized on a graphite electrode surface with aid of magnet to obtain a TSF-loaded electrode with high photoelectrochemical activity. The performance of the TSF-loaded electrode was tested by comparing the PEC degradation of methylene blue in the presence and absence of magnet. The magnetically attached TSF electrode showed higher PEC degradation efficiency with desirable stability. Such a TSF-loaded electrode was applied to PEC degradation of diclofenac. After 45 min PEC treatment, 95.3% of diclofenac was degraded on the magnetically attached TSF electrode.

Surface composition of Cd{sub 1–x}Fe(Mn){sub x}Te{sub 1–y}Se{sub y} systems exposed to air

Energy Technology Data Exchange (ETDEWEB)

Bundaleski, Nenad [University of Belgrade–Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia); Universidade Nova de Lisboa–Faculdade de Ciências e Tecnologia, Quinta da Torre, 2829–516 Caparica (Portugal); Radisavljević, Ivana, E-mail: iva@vin.bg.ac.rs [University of Belgrade–Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia); Trigueiro, João [Universidade Nova de Lisboa–Faculdade de Ciências e Tecnologia, Quinta da Torre, 2829–516 Caparica (Portugal); Tolstogouzov, Alexander [Universidade Nova de Lisboa–Faculdade de Ciências e Tecnologia, Quinta da Torre, 2829–516 Caparica (Portugal); Ryazan State Radio Engineering University, Gagarin 59/1, 390005 Ryazan (Russian Federation); Rakočević, Zlatko; Medić, Mirjana [University of Belgrade–Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia); Teodoro, Orlando M.N.D. [Universidade Nova de Lisboa–Faculdade de Ciências e Tecnologia, Quinta da Torre, 2829–516 Caparica (Portugal); Romčević, Nebojša [University of Belgrade–Institute of Physics, Pregrevica 118, 11000 Belgrade (Serbia); Ivanović, Nenad [University of Belgrade–Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia)

2017-03-01

Using X–ray induced Photoelectron Spectroscopy, Time–of–Flight Secondary Ion Mass Spectrometry and Atomic Force Microscopy we have investigated elemental composition, structure and oxidation process taking place at the surfaces of polycrystalline Cd{sub 0.99}Fe{sub 0.01}Te{sub 0.97}Se{sub 0.03} and Cd{sub 0.95}Mn{sub 0.05}Te{sub 0.97}Se{sub 0.03} systems stored in ambient conditions. The surface oxidation destroys the native CdTe matrix and provokes substantial atomic rearrangement in the first few atomic layers. The near–surface region of both systems is enriched in Cd and to some extent Te–deficient, but the surface structure, morphology and the native oxide composition are all found to be considerably different. In Cd{sub 0.99}Fe{sub 0.01}Te{sub 0.97}Se{sub 0.03} system both Fe and Se dopants diffuse into the bulk and oxidation of its surface results in formation of a thin CdTeO{sub 3} layer which covers the CdTe matrix. In Cd{sub 0.95}Mn{sub 0.05}Te{sub 0.97}Se{sub 0.03} system oxygen–rich atmosphere triggers Mn and Se out–diffusion and the nonuniform oxide layer predominantly consists of MnO and a small amount of Te–oxide which both lay underneath a thin layer of metallic Cd segregated at the top of the surface. - Highlights: • Nature of the CdFe(Mn)TeSe surfaces exposed to air is substantially different. • Near–surface region is enriched in Cd and to some extent Te–deficient. • Presence of Mn drastically changes the surface oxidation conditions. • The surface oxidation in ambient conditions undergoes different mechanisms. • Oxygen triggers Mn out–diffusion, while Fe diffuses into the bulk.

Experimental study of chemical-mechanical coupling during percolation of reactive fluid through rocks under stress, in the context of the CO{sub 2} geological sequestration; Etude experimentale du couplage chimie-mecanique lors de la percolation d'un fluide reactif dans des roches sous contrainte, dans le contexte de la sequestration geologique du CO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Le Guen, Y

2006-10-15

CO{sub 2} injection into geological repositories will induce chemical and mechanical instabilities. The study of these instabilities is based on experimental deformation of natural rock samples under stress, in the presence of fluids containing, or not, dissolved CO{sub 2}. Triaxial cells used for the experiments permitted an independent control and measurement of stress, temperature, fluid pressure and composition. Vertical strains were measured during several months, with a resolution of 1.10{sup -12} s{sup -1} on the strain rate. Simultaneously, fluids were analysed in order to quantify fluid-rock interactions. For limestone samples, percolation of CO{sub 2}-rich fluids increases strain rate by a factor 1.7 up to 5; on the other hand, sandstone deformation remained almost the same. Increase in strain rate with limestone samples was explained by injected water acidification by the CO{sub 2} which increases rock solubility and reaction kinetics. On the opposite, small effect of CO{sub 2} on quartz explains the absence of deformation. X-ray observations confirmed the importance of rock composition and structure on the porosity evolution. Numerical simulations of rock elastic properties showed increasing shear stress into the sample. Measured deformation showed an evolution of reservoir rocks mechanical properties. It was interpreted as the consequence of pressure solution mechanisms both at grains contacts and on grain free surfaces. (author)

Allaying public concern regarding CO{sub 2} geological sequestration through the development of automated stations for the continuous geochemical monitoring of gases in the near surface environment

Energy Technology Data Exchange (ETDEWEB)

Annunziatellis, A.; Beaubien, S.E.; Ciotoli, G.; Lombardi, S. [La Sapienza Univ., Rome (Italy). Dept. of Earth Sciences

2005-07-01

Several carbon dioxide (CO{sub 2}) enhanced oil recovery projects conducted in North America have demonstrated that the deep, onshore geological sequestration of anthropogenic CO{sub 2} is technically feasible. However, the technology has yet to be proven to regulators and the general public. It must be demonstrated that carbon sequestration will result in the long-term isolation of the injected CO{sub 2} and that there is no health risk for local residents due to the leakage of CO{sub 2} at surface. It was suggested that in order to alleviate these concerns, low-cost, early warning systems should be installed to monitor gas compositions and concentrations in the soil gas and groundwater. Doing so, would trigger a warning if any increased concentrations of CO{sub 2} or other associated gases were noted in these phases, and allow for early examination of the cause of the anomalous value. In addition, since gas flow is typically along natural faults or abandoned bore holes, installation of monitoring stations around these higher risk sites would help maximize efficiency while minimizing costs. In this study, gas permeable tubing was used to sample soil gas or gases dissolved in groundwater via diffusion. In the case of equilibration with a gas phase the gas concentration within the tubing will eventually match that of the surrounding environment, whereas in the aqueous phase the internal volume of the tube will represent a head space where equilibrium concentrations will be governed by Henry's Constant. CO{sub 2}, hydrogen and hydrogen sulphide from either soil-gas or groundwater were analyzed with low cost infra-red electrochemical detectors. The data was processed with an integrated computer and the results were sent automatically via modem to a central laboratory. The prototype was installed in the San Vittorino Plain in central Italy where it has collected over 5 months of continuous CO{sub 2} data in an area susceptible to sinkhole formation caused by the

Numerical study of effect parameter fluid flow nanofluid Al{sub 2}O{sub 3}-water on heat transfer in corrugated tube

Energy Technology Data Exchange (ETDEWEB)

Ramadhan, Anwar Ilmar, E-mail: anwar.ilmar@ftumj.ac.id; Diniardi, Ery, E-mail: ery.diniardi@ftumj.ac.id [Mechanical Engineering Department, Faculty of Engineering, Universitas Muhammadiyah Jakarta Jl. Cempaka Putih Tengah 27 Jakarta 10510 Indonesia (Indonesia); Dermawan, Erwin, E-mail: erwin.dermawan@ftumj.ac.id [Electrical Engineering Department, Faculty of Engineering, Universitas Muhammadiyah Jakarta Jl. Cempaka Putih Tengah 27 Jakarta 10510 Indonesia (Indonesia)

2016-06-03

Heating or cooling fluid is a major requirement in the industrial sector, including transport, energy and production needs of the field and the field of electronics. It is known that the thermal properties of the working fluid hold an important role in the development of energy efficiency of heat transfer equipment. The cooling system can be improved either by replacing conventional cooling fluid from the fluid into the fluid of water mixed with nanoparticles (nanofluid). The method of this research is to analyze the calculations and numerical simulations of the nanofluid Al{sub 2}O{sub 3}− Water with the volume fraction of 1% and 3% coolant fluid using CFD Codes. The results of this research show the rate of heat transfer at the increasing velocity of fluid flow, with the velocity of 5 [m/s]. Whereas the 3% nanofluid have greater value than the 1% nanofluid and water, as well as for the velocity of 10 [m/s] which has almost the same pattern. Shown that the concentration of nanofluid has a value effective for improving heat release along the fluid flow rate.

Tunable surface wettability and water adhesion of Sb{sub 2}S{sub 3} micro-/nanorod films

Energy Technology Data Exchange (ETDEWEB)

Zhong, Xin; Zhao, Huiping [Key Laboratory for Green Chemical Process of Ministry of Education and Hubei Novel Reactor and Green Chemical Technology Key Laboratory, Wuhan Institute of Technology, Xiongchu Street, Wuhan 430073 (China); Yang, Hao, E-mail: hyangwit@hotmail.com [Key Laboratory for Green Chemical Process of Ministry of Education and Hubei Novel Reactor and Green Chemical Technology Key Laboratory, Wuhan Institute of Technology, Xiongchu Street, Wuhan 430073 (China); Liu, Yunling [State Key laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Yan, Guoping [Key Laboratory for Green Chemical Process of Ministry of Education and Hubei Novel Reactor and Green Chemical Technology Key Laboratory, Wuhan Institute of Technology, Xiongchu Street, Wuhan 430073 (China); Chen, Rong, E-mail: rchenhku@hotmail.com [Key Laboratory for Green Chemical Process of Ministry of Education and Hubei Novel Reactor and Green Chemical Technology Key Laboratory, Wuhan Institute of Technology, Xiongchu Street, Wuhan 430073 (China)

2014-01-15

Antimony sulfide (Sb{sub 2}S{sub 3}) films were successfully prepared by spin coating Sb{sub 2}S{sub 3} micro-/nanorods with different sizes on glass slides, which was synthesized via a facile and rapid microwave irradiation method. The prepared Sb{sub 2}S{sub 3} micro-/nanorods and films were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and water contact angle (CA). The as-prepared Sb{sub 2}S{sub 3} films exhibited different surface wettabilities ranging from superhydrophilicity to superhydrophobicity, which was strongly dependent on the diameter of Sb{sub 2}S{sub 3} micro-/nanorod. Sb{sub 2}S{sub 3} film made by nanorods possessed superhydrophobic surface and high water adhesive property. After surface modification with stearic acid, the superhydrophobic surface exhibited an excellent self-cleaning property owing to its low adhesive force. The clarification of three possible states including Wenzel's state, “Gecko” state and Cassie's state for Sb{sub 2}S{sub 3} film surfaces was also proposed to provide a better understanding of interesting surface phenomena on Sb{sub 2}S{sub 3} films.

Data Point Averaging for Computational Fluid Dynamics Data

Science.gov (United States)

Norman, Jr., David (Inventor)

2016-01-01

A system and method for generating fluid flow parameter data for use in aerodynamic heating analysis. Computational fluid dynamics data is generated for a number of points in an area on a surface to be analyzed. Sub-areas corresponding to areas of the surface for which an aerodynamic heating analysis is to be performed are identified. A computer system automatically determines a sub-set of the number of points corresponding to each of the number of sub-areas and determines a value for each of the number of sub-areas using the data for the sub-set of points corresponding to each of the number of sub-areas. The value is determined as an average of the data for the sub-set of points corresponding to each of the number of sub-areas. The resulting parameter values then may be used to perform an aerodynamic heating analysis.

Fracture mechanics assessment of surface and sub-surface cracks in the RPV under non-symmetric PTS loading

Energy Technology Data Exchange (ETDEWEB)

Keim, E; Shoepper, A; Fricke, S [Siemens AG Unternehmensbereich KWU, Erlangen (Germany)

1997-09-01

One of the most severe loading conditions of a reactor pressure vessel (rpv) under operation is the loss of coolant accident (LOCA) condition. Cold water is injected through nozzles in the downcomer of the rpv, while the internal pressure may remain at a high level. Complex thermal hydraulic situations occur and the fluid and downcomer temperatures as well as the fluid to wall heat transfer coefficient at the inner surface are highly non-linear. Due to this non-symmetric conditions, the problem is investigated by three-dimensional non-linear finite element analyses, which allow for an accurate assessment of the postulated flaws. Transient heat transfer analyses are carried out to analyze the effect of non-symmetrical cooling of the inner surface of the pressure vessel. In a following uncoupled stress analysis the thermal shock effects for different types of defects, surface flaws and sub-surface flaws are investigated for linear elastic and elastic-plastic material behaviour. The obtained fracture parameters are calculated along the crack fronts. By a fast fracture analysis the fracture parameters at different positions along the crack front are compared to the material resistance. Safety margins are pointed out in an assessment diagram of the fracture parameters and the fracture resistance versus the transient temperature at the crack tip position. (author). 4 refs, 10 figs.

Ab initio hybrid DFT calculations of BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces

Energy Technology Data Exchange (ETDEWEB)

Eglitis, Roberts I., E-mail: rieglitis@gmail.com

2015-12-15

Highlights: • Surface energies for AO{sub 3}-term (111) surfaces are larger than for Ti (Zr)-term surfaces. • A increase of Ti−O (Zr−O) bond covalency near the ABO{sub 3} (111) surface relative to the bulk is observed. • The ABO{sub 3} (111) surface energy is larger than the earlier calculated (001) surface energy. • Band gap for PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces becomes smaller, but for BaTiO{sub 3} (111) larger with respect to the bulk . - Abstract: The results of ab initio calculations for polar BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces using the CRYSTAL code are presented. By means of the hybrid B3LYP approach, the surface relaxation has been calculated for two possible B (B = Ti or Zr) or AO{sub 3} (A = Ba, Pb or Sr) BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surface terminations. According to performed B3LYP calculations, all atoms of the first surface layer, for both terminations, relax inwards. The only exception is a small outward relaxation of the PbO{sub 3}-terminated PbTiO{sub 3} (111) surface upper layer Pb atom. B3LYP calculated surface energies for BaO{sub 3}, PbO{sub 3}, SrO{sub 3} and PbO{sub 3}-terminated BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces are considerably larger than the surface energies for Ti (Zr)-terminated (111) surfaces. Performed B3LYP calculations indicate a considerable increase of Ti−O (Zr−O) chemical bond covalency near the BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surface relative to the BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} bulk. Calculated band gaps at the Γ-point near the PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces are reduced, but near BaTiO{sub 3} (111) surfaces increased, with respect to the BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} bulk band gap at the Γ-point values.

Treatment for GaSb surfaces using a sulphur blended (NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4} solution

Energy Technology Data Exchange (ETDEWEB)

Murape, D.M., E-mail: Davison.Murape@nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Eassa, N.; Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Betz, R. [Department of Chemistry, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa); Coetsee, E.; Swart, H.C. [Department of Physics, University of the Free State, PO Box 339, Bloemfontein, 9300 (South Africa); Botha, J.R.; Venter, A. [Department of Physics, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth, 6031 (South Africa)

2012-07-01

A sulphur based chemical, [(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] to which S has been added, not previously reported for the treatment of (1 0 0) n-GaSb surfaces, is introduced and benchmarked against the commonly used passivants Na{sub 2}S{center_dot}9H{sub 2}O and (NH{sub 4}){sub 2}S. The surfaces of the treated material were studied by scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). It has been found that the native oxides present on the GaSb surface are more effectively removed when treated with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] + S) than with (NH{sub 4}){sub 2}S or Na{sub 2}S{center_dot}9H{sub 2}O, as evidenced by the ratio of the O{sub 506eV} to Sb{sub 457eV} AES peaks. XPS results reveal that Sb{sub 2}S{sub 3}/Sb{sub 2}S{sub 5} 'replaces' Sb{sub 2}O{sub 3}/Sb{sub 2}O{sub 5}, suggesting that sulphur atoms substitute oxygen atoms in Sb{sub 2}O{sub 3}/Sb{sub 2}O{sub 5} to form Sb-S. It seems sulphurization only partially removes Ga{sub 2}O{sub 3}. Treatment with ([(NH{sub 4}){sub 2}S/(NH{sub 4}){sub 2}SO{sub 4}] + S) also results in a noteworthy improvement in the current-voltage (I-V) characteristics of Au/n-GaSb Schottky contacts compared to those fabricated on as-received material.

Polygons on a rotating fluid surface.

Science.gov (United States)

Jansson, Thomas R N; Haspang, Martin P; Jensen, Kåre H; Hersen, Pascal; Bohr, Tomas

2006-05-05

We report a novel and spectacular instability of a fluid surface in a rotating system. In a flow driven by rotating the bottom plate of a partially filled, stationary cylindrical container, the shape of the free surface can spontaneously break the axial symmetry and assume the form of a polygon rotating rigidly with a speed different from that of the plate. With water, we have observed polygons with up to 6 corners. It has been known for many years that such flows are prone to symmetry breaking, but apparently the polygonal surface shapes have never been observed. The creation of rotating internal waves in a similar setup was observed for much lower rotation rates, where the free surface remains essentially flat [J. M. Lopez, J. Fluid Mech. 502, 99 (2004). We speculate that the instability is caused by the strong azimuthal shear due to the stationary walls and that it is triggered by minute wobbling of the rotating plate.

The Impact of Solid Surface Features on Fluid-Fluid Interface Configuration

Science.gov (United States)

Araujo, J. B.; Brusseau, M. L. L.

2017-12-01

Pore-scale fluid processes in geological media are critical for a broad range of applications such as radioactive waste disposal, carbon sequestration, soil moisture distribution, subsurface pollution, land stability, and oil and gas recovery. The continued improvement of high-resolution image acquisition and processing have provided a means to test the usefulness of theoretical models developed to simulate pore-scale fluid processes, through the direct quantification of interfaces. High-resolution synchrotron X-ray microtomography is used in combination with advanced visualization tools to characterize fluid distributions in natural geologic media. The studies revealed the presence of fluid-fluid interface associated with macroscopic features on the surfaces of the solids such as pits and crevices. These features and respective fluid interfaces, which are not included in current theoretical or computational models, may have a significant impact on accurate simulation and understanding of multi-phase flow, energy, heat and mass transfer processes.

Moulding of Sub-micrometer Surface Structures

DEFF Research Database (Denmark)

Pranov, Henrik; Rasmussen, Henrik K.; Larsen, Niels Bent

2006-01-01

The experiments strongly suggest that the possibility to injection mould sub-micrometer surface structures in polymers mainly relates to the forces originating from the adhesive energy between polymer and shim.......The experiments strongly suggest that the possibility to injection mould sub-micrometer surface structures in polymers mainly relates to the forces originating from the adhesive energy between polymer and shim....

30 CFR 250.457 - What equipment is required to monitor drilling fluids?

Science.gov (United States)

2010-07-01

... monitor the drilling fluid returns. The indicator may be located in the drilling fluid-logging compartment... 30 Mineral Resources 2 2010-07-01 2010-07-01 false What equipment is required to monitor drilling... OFFSHORE OIL AND GAS AND SULPHUR OPERATIONS IN THE OUTER CONTINENTAL SHELF Oil and Gas Drilling Operations...

Electron stimulated desorption of positive and negative oxygen ions from YBa{sub 2}Cu{sub 3}O{sub 7} surfaces

Energy Technology Data Exchange (ETDEWEB)

Hoffman, A. [Technion-Israel Inst. of Tech., Haifa (Israel). Solid State Inst.; Moss, S.D.; Paterson, P.J.K. [Royal Melbourne Inst. of Tech., VIC (Australia); McCubbery, D. [La Trobe Univ., Bundoora, VIC (Australia); Petravic, M. [Australian National Univ., Canberra, ACT (Australia)

1996-12-31

The electron stimulated desorption (ESD) of positive and negative oxygen ion from superconducting YBa{sub 2}Cu{sub 3}O{sub 7} surfaces was studied. Based on ion desorption yield measurements as function of electron kinetic energy, primary excitations leading to positive and negative oxygen ion desorption are suggested. To the best of the authors` knowledge this is the first study on electron energy dependent ESD from YBa{sub 2}Cu{sub 3}O{sub 7} surfaces. The YBa{sub 2}Cu{sub 3}O{sub 7} samples were prepared from BaCO{sub 3}, Y{sub 2}O{sub 3} and CuO using standard high temperature sintering and annealing procedures. Slices 2 mm thick were cut and further annealed at 400 C in flowing oxygen for 24 hours prior to insertion into the ultrahigh vacuum (UHV) chamber for ESD. The near surface composition and chemical state of the annealed sample after exposure to air was examined by Auger and XPS analysis. These measurements suggest that the ESD experiments were performed on samples of similar near surface and bulk composition with some OH- chemisorbed groups and Cl surface contaminations and that negative and positive oxygen ion desorption may be initiated via a primary core level ionization. 10 refs., 3 figs.

Electron stimulated desorption of positive and negative oxygen ions from YBa{sub 2}Cu{sub 3}O{sub 7} surfaces

Energy Technology Data Exchange (ETDEWEB)

Hoffman, A [Technion-Israel Inst. of Tech., Haifa (Israel). Solid State Inst.; Moss, S D; Paterson, P J.K. [Royal Melbourne Inst. of Tech., VIC (Australia); McCubbery, D [La Trobe Univ., Bundoora, VIC (Australia); Petravic, M [Australian National Univ., Canberra, ACT (Australia)

1997-12-31

The electron stimulated desorption (ESD) of positive and negative oxygen ion from superconducting YBa{sub 2}Cu{sub 3}O{sub 7} surfaces was studied. Based on ion desorption yield measurements as function of electron kinetic energy, primary excitations leading to positive and negative oxygen ion desorption are suggested. To the best of the authors` knowledge this is the first study on electron energy dependent ESD from YBa{sub 2}Cu{sub 3}O{sub 7} surfaces. The YBa{sub 2}Cu{sub 3}O{sub 7} samples were prepared from BaCO{sub 3}, Y{sub 2}O{sub 3} and CuO using standard high temperature sintering and annealing procedures. Slices 2 mm thick were cut and further annealed at 400 C in flowing oxygen for 24 hours prior to insertion into the ultrahigh vacuum (UHV) chamber for ESD. The near surface composition and chemical state of the annealed sample after exposure to air was examined by Auger and XPS analysis. These measurements suggest that the ESD experiments were performed on samples of similar near surface and bulk composition with some OH- chemisorbed groups and Cl surface contaminations and that negative and positive oxygen ion desorption may be initiated via a primary core level ionization. 10 refs., 3 figs.

Surface activation of MnNb{sub 2}O{sub 6} nanosheets by oxalic acid for enhanced photocatalysis

Energy Technology Data Exchange (ETDEWEB)

Wu, Junshu; Wang, Jinshu, E-mail: wangjsh@bjut.edu.cn; Li, Hongyi; Li, Yongli; Du, Yucheng; Yang, Yilong; Jia, Xinjian

2017-05-01

Graphical abstract: Visible light driven photoreduction of Cr(VI) over MnNb{sub 2}O{sub 6} nanosheets is enhanced via oxalic acid surface complex to generate activation layer. - Highlights: • MnNb{sub 2}O{sub 6} nanosheets are crystallized by a surface capping route of sulfonate groups. • Oxalic acid on MnNb{sub 2}O{sub 6} nanosheets forms an excited surface complex hybrid layer. • Surface activation enhances visible-light induced reduction of Cr(VI) into Cr(III). - Abstract: MnNb{sub 2}O{sub 6} nanosheets (P-MNOs) is selectively crystallized by using surface capping ligand with functional sulfonate group (sodium dodecyl benzene sulphonate), which binds to the (131) surface of MnNb{sub 2}O{sub 6} inducing the morphology-controlled crystallization of MnNb{sub 2}O{sub 6} materials. Surface modification of photoactive P-MNOs with electron-rich oxalic acid ligands establishes an excited surface complex layer on phase-pure P-MNO as evidenced by spectroscopic analyses (FT-IR, UV–vis, Raman, PL, etc.), and thus more efficiently photocatalyzes the reduction of Cr(VI) into Cr(III) than solely P-MNOs or oxalic acid under visible light (λ > 420 nm) via a ligand-to-metal interfacial electron transfer pathway. However, the interaction between oxalic acid and MnNb{sub 2}O{sub 6} is highly dependent upon the morphology of solid MnNb{sub 2}O{sub 6} substrate due to the higher surface-area-to-volume ratio and higher surface activity of (131) planes in the sheet-like morphology. This study could assist the construction of stable niobate material systems to allow a versatile solid surface activation for establishing more energy efficient and robust catalysis process under visible light.

Electronic and surface properties of Ga-doped In{sub 2}O{sub 3} ceramics

Energy Technology Data Exchange (ETDEWEB)

Regoutz, A., E-mail: a.regoutz@imperial.ac.uk [Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Egdell, R.G. [Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Morgan, D.J. [Cardiff Catalysis Institute (CCI), School of Chemistry, Cardiff University, Park Place, Cardiff, CF10 3AT (United Kingdom); Palgrave, R.G. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Téllez, H.; Skinner, S.J.; Payne, D.J. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Watson, G.W. [School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland); Scanlon, D.O. [University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom)

2015-09-15

Graphical abstract: - Highlights: • The solubility limit of Ga in In{sub 2}O{sub 3} was established to be around 6%. • Ga doping causes a reduction in band gap although the band gap of Ga{sub 2}O{sub 3} is larger than that of In{sub 2}O{sub 3}. • The reduction in band gap is attributed to the role of lone pairs at surfaces and grain boundaries. • A pronounced surface segregation of Ga is observed. - Abstract: The limit of solubility of Ga{sub 2}O{sub 3} in the cubic bixbyite In{sub 2}O{sub 3} phase was established by X-ray diffraction and Raman spectroscopy to correspond to replacement of around 6% of In cations by Ga for samples prepared at 1250 °C. Density functional theory calculations suggest that Ga substitution should lead to widening of the bulk bandgap, as expected from the much larger gap of Ga{sub 2}O{sub 3} as compared to In{sub 2}O{sub 3}. However both diffuse reflectance spectroscopy and valence band X-ray photoemission reveal an apparent narrowing of the gap with Ga doping. It is tentatively concluded that this anomaly arises from introduction of Ga{sup +} surface lone pair states at the top of the valence band and structure at the top of the valence band in Ga-segregated samples is assigned to these lone pair states. In addition photoemission reveals a broadening of the valence band edge. Core X-ray photoemission spectra and low energy ion scattering spectroscopy both reveal pronounced segregation of Ga to the ceramic surface, which may be linked to both relief of strain in the bulk and the preferential occupation of surface sites by lone pair cations. Surprisingly Ga segregation is not accompanied by the development of chemically shifted structure in Ga 2p core XPS associated with Ga{sup +}. However experiments on ion bombarded Ga{sub 2}O{sub 3}, where a shoulder at the top edge of the valence band spectra provide a clear signature of Ga{sup +} at the surface, show that the chemical shift between Ga{sup +} and Ga{sup 3+} is too small to be

Surface morphology analysis of nanostructured (Ba sub x , Sr sub 1 sub - sub x)TiO sub 3 thin films using fractal method

CERN Document Server

Hong, K J; Choi, W K; Cho, J C

2003-01-01

Based on the fractal theory, this paper uses scanning electron microscopy images to investigate the roughness characteristics of nanostructured (Ba Sr)TiO sub 3 thin films by sol-gel methods. The percentage grain area, surface fractal dimensions and 3D image are evaluated using image analysis methods. The thickness of the (Ba Sr)TiO sub 3 thin films was 260-280 nm. The surface fractal dimensions were increased with strontium doping, and grain area, were decreased with it. The fractal dimension and the grain areas of the (Ba sub 0 sub . sub 7 Sr sub 0 sub . sub 3)TiO sub 3 thin films were 1.81 and 81%. Based on the image analysis, the roughness height of 3D images as 256 levels was about 3 nm and its distribution was about 35-40% for the (Ba sub 0 sub . sub 8 Sr sub 0 sub . sub 2)TiO sub 3 and (Ba sub 0 sub . sub 7 Sr sub 0 sub . sub 3)TiO sub 3 thin films. The roughness height of the BST thin films was distributed from 35% to 40% ranging from 3 nm to 4 nm. By increasing the strontium doping, the roughness hei...

Formation times of RbHe exciplexes on the surface of superfluid versus normal fluid helium nanodroplets

International Nuclear Information System (INIS)

Droppelmann, G.; Buenermann, O.; Stienkemeier, F.; Schulz, C.P.

2004-01-01

Nanodroplets of either superfluid He 4 or normal fluid He 3 are doped with Rb atoms that are bound to the surface of the droplets. The formation of RbHe exciplexes upon 5P 3/2 excitation is monitored in real time by femtosecond pump-probe techniques. We find formation times of 8.5 and 11.6 ps for Rb He 4 and Rb He 3 , respectively. A comparison to calculations based on a tunneling model introduced for these systems by Reho et al. [J. Chem. Phys. 113, 9694 (2000)] shows that the proposed mechanism cannot account for our findings. Apparently, a different relaxation dynamics of the superfluid opposed to the normal fluid surface is responsible for the observed formation times

Fault-related CO<sub>2sub> degassing, geothermics, and fluid flow in southern California basins---Physiochemical evidence and modeling

Energy Technology Data Exchange (ETDEWEB)

Boles, James R. [Univ. of California, Santa Barbara, CA (United States); Garven, Grant [Tufts Univ., Medford, MA (United States)

2015-08-04

Our studies have had an important impact on societal issues. Experimental and field observations show that CO<sub>2sub> degassing, such as might occur from stored CO<sub>2sub> reservoir gas, can result in significant stable isotopic disequilibrium. In the offshore South Ellwood field of the Santa Barbara channel, we show how oil production has reduced natural seep rates in the area, thereby reducing greenhouse gases. Permeability is calculated to be ~20-30 millidarcys for km-scale fault-focused fluid flow, using changes in natural gas seepage rates from well production, and poroelastic changes in formation pore-water pressure. In the Los Angeles (LA) basin, our characterization of formation water chemistry, including stable isotopic studies, allows the distinction between deep and shallow formations waters. Our multiphase computational-based modeling of petroleum migration demonstrates the important role of major faults on geological-scale fluid migration in the LA basin, and show how petroleum was dammed up against the Newport-Inglewood fault zone in a “geologically fast” interval of time (less than 0.5 million years). Furthermore, these fluid studies also will allow evaluation of potential cross-formational mixing of formation fluids. Lastly, our new study of helium isotopes in the LA basin shows a significant leakage of mantle helium along the Newport Inglewood fault zone (NIFZ), at flow rates up to 2 cm/yr. Crustal-scale fault permeability (~60 microdarcys) and advective versus conductive heat transport rates have been estimated using the observed helium isotopic data. The NIFZ is an important deep-seated fault that may crosscut a proposed basin decollement fault in this heavily populated area, and appears to allow seepage of helium from the mantle sources about 30 km beneath Los Angeles. The helium study has been widely cited in recent weeks by the news media, both in radio and on numerous web sites.

Fault-Related CO<sub>2sub> Degassing, Geothermics, and Fluid Flow in Southern California Basins--Physiochemical Evidence and Modeling

Energy Technology Data Exchange (ETDEWEB)

Garven, Grant [Tufts Univ., Medford, MA (United States)

2015-08-11

Our studies have had an important impact on societal issues. Experimental and field observations show that CO<sub>2sub> degassing, such as might occur from stored CO<sub>2sub> reservoir gas, can result in significant stable isotopic disequilibrium. In the offshore South Ellwood field of the Santa Barbara channel, we show how oil production has reduced natural seep rates in the area, thereby reducing greenhouse gases. Permeability is calculated to be ~20-30 millidarcys for km-scale fault-focused fluid flow, using changes in natural gas seepage rates from well production, and poroelastic changes in formation pore-water pressure. In the Los Angeles (LA) basin, our characterization of formation water chemistry, including stable isotopic studies, allows the distinction between deep and shallow formations waters. Our multiphase computational-based modeling of petroleum migration demonstrates the important role of major faults on geological-scale fluid migration in the LA basin, and show how petroleum was dammed up against the Newport-Inglewood fault zone in a “geologically fast” interval of time (less than 0.5 million years). Furthermore, these fluid studies also will allow evaluation of potential cross-formational mixing of formation fluids. Lastly, our new study of helium isotopes in the LA basin shows a significant leakage of mantle helium along the Newport Inglewood fault zone (NIFZ), at flow rates up to 2 cm/yr. Crustal-scale fault permeability (~60 microdarcys) and advective versus conductive heat transport rates have been estimated using the observed helium isotopic data. The NIFZ is an important deep-seated fault that may crosscut a proposed basin decollement fault in this heavily populated area, and appears to allow seepage of helium from the mantle sources about 30 km beneath Los Angeles. The helium study has been widely cited in recent weeks by the news media, both in radio and on numerous web sites.

Disposing of fluid wastes

International Nuclear Information System (INIS)

Bradley, J.S.

1984-01-01

Toxic liquid waste, eg liquid radioactive waste, is disposed of by locating a sub-surface stratum which, before removal of any fluid, has a fluid pressure in the pores thereof which is less than the hydrostatic pressure which is normal for a stratum at that depth in the chosen area, and then feeding the toxic liquid into the stratum at a rate such that the fluid pressure in the stratum never exceeds the said normal hydrostatic pressure. (author)

Fluid-flow monitoring using electromagnetic probing

International Nuclear Information System (INIS)

Lytle, R.J.; Lager, D.L.; Laine, E.F.; Salisbury, J.D.; Okada, J.T.

1979-01-01

High-frequency electromagnetic probing is used to monitor the rate and direction of flow of fluids injected into the ground. This method shows the potential for providing more detailed information than procedures presently used. The experimental technique and the test-of-concept experimental results are discussed. This technique has applications in oil-reservoir engineering and in hydrology studies concerning storage of chemical and nuclear wastes. 11 figures

Topological Fluid Mechanics with Applications to Free Surfaces and Axisymmetric Flows

DEFF Research Database (Denmark)

Brøns, Morten

1996-01-01

Topological fluid mechanics is the study of qualitative features of fluid patterns. We discuss applications to the flow beneath a stagnant surface film, and to patterns in axisymmetric flow.......Topological fluid mechanics is the study of qualitative features of fluid patterns. We discuss applications to the flow beneath a stagnant surface film, and to patterns in axisymmetric flow....

Mesoporous TiO{sub 2} aggregate photoanode with high specific surface area and strong light scattering for dye-sensitized solar cells

Energy Technology Data Exchange (ETDEWEB)

Li, Chunhui; Luo, Yanhong; Guo, Xiaozhi; Li, Dongmei [Key Laboratory for Renewable Energy, Chinese Academy of Sciences, Beijing Key Laboratory for New Energy Materials and Devices, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Mi, Jianli; So, Lasse; Hald, Peter [Center for Materials Crystallography, Department of Chemistry and Interdisciplinary Nanoscience Center, Aarhus University, DK-8000 Aarhus (Denmark); Meng, Qingbo, E-mail: qbmeng@iphy.ac.cn [Key Laboratory for Renewable Energy, Chinese Academy of Sciences, Beijing Key Laboratory for New Energy Materials and Devices, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Iversen, Bo B., E-mail: bo@chem.au.dk [Center for Materials Crystallography, Department of Chemistry and Interdisciplinary Nanoscience Center, Aarhus University, DK-8000 Aarhus (Denmark)

2012-12-15

Phase-pure anatase TiO{sub 2} nanocrystallite aggregates synthesized by a continuous supercritical fluid process have been first used for fabricating mesoporous photoanodes of dye-sensitized solar cells (DSCs). Due to the small size (11 nm) of the TiO{sub 2} nanocrystallites in the aggregates, the mesoporous photoanode provides a high specific surface area, 80 m{sup 2}/g, which ensures high dye loading. At the same time, the submicrometer-sized aggregates endow the mesoporous photoanode with strong light scattering effect. Therefore, the light harvesting efficiency of the photoanode is increased. With an improved short-circuit current density, a high overall power conversion efficiency of 8.65% (100 mW/cm{sup 2}, AM 1.5) is achieved without additional scattering layers, 12% enhanced compared with the DSCs fabricated from commercial Degussa P25 with exactly the same procedures. In addition, this supercritical fluid process is scalable and rapid (less than one minute) for TiO{sub 2} aggregates synthesis, which will push the commercialization of DSCs in the future. - Graphical abstract: Due to the special morphology and structure, the photoanode of DSCs provides high specific surface area and strong light scattering at the same time, which results in high conversion efficiencies of the DSCs. Table of contents: Thanks to the synchronous realization of high specific surface area and strong light scattering, a high efficiency of 8.65% was achieved based on a novel mesoporous TiO{sub 2} aggregates photoanode for DSCs. Highlights: Black-Right-Pointing-Pointer The TiO{sub 2} aggregate photoanode provides a possible route for highly efficient DSCs. Black-Right-Pointing-Pointer Photoanode with high dye loading and light scattering is successfully fabricated. Black-Right-Pointing-Pointer TiO{sub 2} synthesized by a supercritical fluid process is first applied to DSCs. Black-Right-Pointing-Pointer The synthesis method and high efficiency will push the commercialization of DSCs.

Delayed sub-aponeurotic fluid collections in infancy: Three cases and a review of the literature

OpenAIRE

Petraglia, Anthony L.; Moravan, Michael J.; Marky, Andrew H.; Silberstein, Howard J.

2010-01-01

Background: Sub-aponeurotic fluid collections (SFCs) in the neonatal period are poorly described in the literature. We describe the occurrence, possible etiologies and treatment of sub-aponeurotic fluid collections following the neonatal period. Case Description: We present 3 cases of previously healthy children who developed soft, fluctuant, extracranial masses several weeks after birth. All 3 children were seen by a pediatric neurosurgeon after parents noticed scalp masses between 5 and 9 w...

Surface preparation of gold nanostructures on glass by ultraviolet ozone and oxygen plasma for thermal atomic layer deposition of Al{sub 2}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Lancaster, Cady A., E-mail: lancaster@chem.utah.edu; Shumaker-Parry, Jennifer S., E-mail: shumaker-parry@chem.utah.edu

2016-08-01

Thin film deposition to create robust plasmonic nanomaterials is a growing area of research. Plasmonic nanomaterials have tunable optical properties and can be used as substrates for surface-enhanced spectroscopies. Due to the surface sensitivity and the dependence of the near-field behavior on structural details, degradation from cleaning or spectroscopic interrogation causes plasmonic nanostructures to lose distinctive localized surface plasmon resonances or exhibit diminished optical near-field enhancements over time. To decrease degradation, conformal thin films of alumina are deposited on nanostructured substrates using atomic layer deposition. While film growth on homogenous surfaces has been studied extensively, atomic layer deposition-based film growth on heterogeneous nanostructured surfaces is not well characterized. In this report, we have evaluated the impact of oxygen plasma and ultraviolet ozone pre-treatments on Au nanoparticle substrates for thin film growth by monitoring changes in plasmonic response and nanostructure morphology. We have found that ultraviolet ozone is more effective than oxygen plasma for cleaning gold nanostructured surfaces, which is in contrast to bulk films of the same material. Our results show that oxygen plasma treatment negatively impacts the nanostructure and alumina coating based on both scanning electron microscopy analysis of morphology and changes in the plasmonic response. - Highlights: • Plasmonic response indicates oxygen plasma damages Au structures and Al{sub 2}O{sub 3} films. • Ultraviolet ozone (UVO) re-activates aged Al{sub 2}O{sub 3}-coated Au nanostructures. • UVO treatments do not damage Au or Al{sub 2}O{sub 3}-coated nanostructures.

Oxygen dosing the surface of SrTiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Dudy, L.; Scheiderer, P.; Schuetz, P.; Gabel, J.; Buchwald, M.; Sing, M.; Claessen, R. [Physikalisches Institut, Universitaet Wuerzburg (Germany); Denlinger, J.D. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA, 94270 (United States); Schlueter, C.; Lee, T.L. [Diamond Light Source Ltd., Didcot, Oxfordshire (United Kingdom)

2015-07-01

The highly mobile two-dimensional electron system (2DES) on the surface of the insulating SrTiO{sub 3}(STO) offers exciting perspectives for advanced material design. This 2DES resides in a depletion layer caused by oxygen deficiency of the surface. With photoemission spectroscopy, we monitor the appearance of quasi-particle weight (QP) at the Fermi energy and oxygen vacancy induced states in the band gap (IG). Both, QP and IG weight, increase and decrease respectively upon exposure to extreme ultraviolet (XUV) light and in-situ oxygen dosing. By a proper adjustment of oxygen dosing, any intermediate state can be stabilized providing full control over the charge carrier density. From a comparison of the charge carrier concentrations obtained from an analysis of core-level spectra and the Fermi-surface volume, we conclude on a spatially inhomogeneous surface electronic structure with at least two different phases.

Defining the Post-Machined Sub-surface in Austenitic Stainless Steels

Science.gov (United States)

Srinivasan, N.; Sunil Kumar, B.; Kain, V.; Birbilis, N.; Joshi, S. S.; Sivaprasad, P. V.; Chai, G.; Durgaprasad, A.; Bhattacharya, S.; Samajdar, I.

2018-06-01

Austenitic stainless steels grades, with differences in chemistry, stacking fault energy, and thermal conductivity, were subjected to vertical milling. Anodic potentiodynamic polarization was able to differentiate (with machining speed/strain rate) between different post-machined sub-surfaces in SS 316L and Alloy A (a Cu containing austenitic stainless steel: Sanicroe 28™), but not in SS 304L. However, such differences (in the post-machined sub-surfaces) were revealed in surface roughness, sub-surface residual stresses and misorientations, and in the relative presence of sub-surface Cr2O3 films. It was shown, quantitatively, that higher machining speed reduced surface roughness and also reduced the effective depths of the affected sub-surface layers. A qualitative explanation on the sub-surface microstructural developments was provided based on the temperature-dependent thermal conductivity values. The results herein represent a mechanistic understanding to rationalize the corrosion performance of widely adopted engineering alloys.

Defining the Post-Machined Sub-surface in Austenitic Stainless Steels

Science.gov (United States)

Srinivasan, N.; Sunil Kumar, B.; Kain, V.; Birbilis, N.; Joshi, S. S.; Sivaprasad, P. V.; Chai, G.; Durgaprasad, A.; Bhattacharya, S.; Samajdar, I.

2018-04-01

Austenitic stainless steels grades, with differences in chemistry, stacking fault energy, and thermal conductivity, were subjected to vertical milling. Anodic potentiodynamic polarization was able to differentiate (with machining speed/strain rate) between different post-machined sub-surfaces in SS 316L and Alloy A (a Cu containing austenitic stainless steel: Sanicroe 28™), but not in SS 304L. However, such differences (in the post-machined sub-surfaces) were revealed in surface roughness, sub-surface residual stresses and misorientations, and in the relative presence of sub-surface Cr2O3 films. It was shown, quantitatively, that higher machining speed reduced surface roughness and also reduced the effective depths of the affected sub-surface layers. A qualitative explanation on the sub-surface microstructural developments was provided based on the temperature-dependent thermal conductivity values. The results herein represent a mechanistic understanding to rationalize the corrosion performance of widely adopted engineering alloys.

Investigating the recording and accuracy of fluid balance monitoring in critically ill patients

Directory of Open Access Journals (Sweden)

Annette Diacon

2014-11-01

Full Text Available Background. The accurate assessment of fluid balance data collected during physical assessment as well as during monitoring and record-keeping forms an essential part of the baseline patient information that guides medical and nursing interventions aimed at achieving physiological stability in patients. An informal audit of 24-hour fluid balance records in a local intensive care unit (ICU showed that seven out of ten fluid balance calculations were incorrect.Objective. To identify and describe current clinical nursing practice in fluid balance monitoring and measurement accuracy in ICUs, conducted as part of a broader study in partial fulfilment of a Master of Nursing degree.Methods. A quantitative approach utilising a descriptive, exploratory study design was applied. An audit of 103 ICU records was conducted to establish the current practices and accuracy in recording of fluid balance monitoring. Data were collected using a purpose-designed tool based on relevant literature and practice experience. Results. Of the original recorded fluid balance calculations, 79% deviated by more than 50 mL from the audited calculations. Further­more, a significant relationship was shown between inaccurate fluid balance calculation and administration of diuretics (p=0.01. Conclusion. The majority of fluid balance records were incorrectly calculated.

Topological surface states of Bi{sub 2}Te{sub 2}Se are robust against surface chemical modification

Energy Technology Data Exchange (ETDEWEB)

Thomas, Conor R.; Sahasrabudhe, Girija; Kushwaha, Satya Kumar; Cava, Robert J.; Schwartz, Jeffrey [Department of Chemistry, Princeton University, Princeton, NJ (United States); Xiong, Jun [Department of Physics, Princeton University, Princeton, NJ (United States)

2014-12-01

The robustness of the Dirac-like electronic states on the surfaces of topological insulators (TIs) during materials process-ing is a prerequisite for their eventual device application. Here, the (001) cleavage surfaces of crystals of the topological insulator Bi{sub 2}Te{sub 2}Se (BTS) were subjected to several surface chemical modification procedures that are common for electronic materials. Through measurement of Shubnikov-de Hass (SdH) oscillations, which are the most sensitive measure of their quality, the surface states of the treated surfaces were compared to those of pristine BTS that had been exposed to ambient conditions. In each case - surface oxidation, deposition of thin layers of Ti or Zr oxides, or chemical modification of the surface oxides - the robustness of the topological surface electronic states was demonstrated by noting only very small changes in the frequency and amplitude of the SdH oscillations. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Effect of atmospheric CO{sub 2} on surface segregation and phase formation in La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3−δ} thin films

Energy Technology Data Exchange (ETDEWEB)

Yu, Yang [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Luo, Heng [Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States); Cetin, Deniz [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Lin, Xi [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States); Ludwig, Karl [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Department of Physics, Boston University, Boston, MA 02215 (United States); Pal, Uday; Gopalan, Srikanth [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States); Basu, Soumendra, E-mail: basu@bu.edu [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States)

2014-12-30

Highlights: • LSCF exhibits Sr surface segregation on high-temperature annealing. • The presence of atmospheric CO{sub 2} enhances the kinetics of Sr surface segregation. • At high-CO{sub 2} partial pressures, there is a significant coverage of the surface by Sr-rich phases. • The increase in kinetics is attributed to increased thermodynamic driving force for SrCO{sub 3} formation. - Abstract: The effects of atmospheric CO{sub 2} on surface segregation and phase formation in La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3−δ} (LSCF-6428) were investigated. (0 0 1)-oriented LSCF-6428 thin films were deposited on lattice matched (1 1 0)-oriented NdGaO{sub 3} (NGO) substrates by pulsed laser deposition (PLD). Using the synchrotron technique of total reflection X-ray fluorescence (TXRF), it was found that the kinetics of Sr surface segregation was enhanced when annealing at 800 °C in a high-CO{sub 2} partial pressure, as compared to a similar anneal in a CO{sub 2}-free atmosphere, with the oxygen partial pressure being constant in both cases. Hard X-ray photoelectron spectroscopy (HAXPES) measurements showed that the contribution of the surface carbonate to surface oxide phases increased significantly for the sample annealed in the high-CO{sub 2} atmosphere. Atomic force microscopy (AFM) studies showed enhanced surface phase formation during the high-CO{sub 2} partial pressure anneal. Density functional theory (DFT) calculations provide a thermodynamic basis for the enhanced kinetics of surface segregation in the presence of atmospheric CO{sub 2}.

ECO2N V. 2.0: A New TOUGH2 Fluid Property Module for Mixtures of Water, NaCl, and CO<sub>2sub>

Energy Technology Data Exchange (ETDEWEB)

Pan, L. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Spycher, N. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Doughty, C. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Pruess, K. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2014-12-01

ECO2N V2.0 is a fluid property module for the TOUGH2 simulator (Version 2.1) that was designed for applications to geologic sequestration of CO<sub>2sub> in saline aquifers and enhanced geothermal reservoirs. ECO2N V2.0 is an enhanced version of the previous ECO2N V1.0 module (Pruess, 2005). It expands the temperature range up to about 300°C whereas V1.0 can only be used for temperatures below about 110°C. V2.0 includes a comprehensive description of the thermodynamics and thermophysical properties of H<sub>2sub>O - NaCl -CO<sub>2sub> mixtures, that reproduces fluid properties largely within experimental error for the temperature, pressure and salinity conditions of interest (10 °C < T < 300 °C; P < 600 bar; salinity up to halite saturation). This includes density, viscosity, and specific enthalpy of fluid phases as functions of temperature, pressure, and composition, as well as partitioning of mass components H<sub>2sub>O, NaCl and CO<sub>2sub> among the different phases. In particular, V2.0 accounts for the effects of water on the thermophysical properties of the CO<sub>2sub>-rich phase, which was ignored in V1.0, using a model consistent with the solubility models developed by Spycher and Pruess (2005, 2010). In terms of solubility models, V2.0 uses the same model for partitioning of mass components among the different phases (Spycher and Pruess, 2005) as V1.0 for the low temperature range (<99°C) but uses a new model (Spycher and Pruess, 2010) for the high temperature range (>109°C). In the transition range (99-109°C), a smooth interpolation is applied to estimate the partitioning as a function of the temperature. Flow processes can be modeled isothermally or non-isothermally, and phase conditions represented may include a single (aqueous or CO<sub>2sub>-rich) phase, as well as two-phase mixtures. Fluid phases may appear or disappear in the course of a simulation, and solid salt may precipitate or dissolve. This report gives technical

Intra-hole fluid convection: High-resolution temperature monitoring

Czech Academy of Sciences Publication Activity Database

Čermák, Vladimír; Šafanda, Jan; Krešl, Milan

2008-01-01

Roč. 348, č. 3-4 (2008), s. 464-479 ISSN 0022-1694 Institutional research plan: CEZ:AV0Z30120515 Keywords : temperature monitoring * convection * fluid dynamics * borehole logging Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 2.305, year: 2008

Nitrate conversion and supercritical fluid extraction of UO{sub 2}-CeO{sub 2} solid solution prepared by an electrolytic reduction-coprecipitation method

Energy Technology Data Exchange (ETDEWEB)

Zhu, L.Y. [Tsinghua Univ., Beijing (China). Inst. of Nuclear and New Energy Technology; China Institute of Atomic Energy, Beijing (China); Duan, W.H.; Wen, M.F.; Xu, J.M.; Zhu, Y.J. [Tsinghua Univ., Beijing (China). Inst. of Nuclear and New Energy Technology

2014-04-01

A low-waste technology for the reprocessing of spent nuclear fuel (SNF) has been developed recently, which involves the conversion of actinide and lanthanide oxides with liquid N{sub 2}O{sub 4} into their nitrates followed by supercritical fluid extraction of the nitrates. The possibility of the reprocessing of SNF from high-temperature gas-cooled reactors (HTGRs) with nitrate conversion and supercritical fluid extraction is a current area of research in China. Here, a UO{sub 2}-CeO{sub 2} solid solution was prepared as a surrogate for a UO{sub 2}-PuO{sub 2} solid solution, and the recovery of U and Ce from the UO{sub 2}-CeO{sub 2} solid solution with liquid N{sub 2}O{sub 4} and supercritical CO{sub 2} containing tri-n-butyl phosphate (TBP) was investigated. The UO{sub 2}-CeO{sub 2} solid solution prepared by electrolytic reduction-coprecipitation method had square plate microstructures. The solid solution after heat treatment was completely converted into nitrates with liquid N{sub 2}O{sub 4}. The XRD pattern of the nitrates was similar to that of UO{sub 2}(NO{sub 3}){sub 2} . 3H{sub 2}O. After 120 min of online extraction at 25 MPa and 50 , 99.98% of the U and 98.74% of the Ce were recovered from the nitrates with supercritical CO{sub 2} containing TBP. The results suggest a promising potential technology for the reprocessing of SNF from HTGRs. (orig.)

Observation of a new surface mode on a fluid-saturated permeable solid

International Nuclear Information System (INIS)

Nagy, P.B.

1992-01-01

Almost ten years ago, S. Feng and D. L. Johnson predicted the presence of a new surface mode on a fluid/fluid-saturated porous solid interface with closed surface pores [J. Acoust. Soc. Am. 74, 906 (1983)]. We found that, due to surface tension, practically closed-pore boundary conditions can prevail at an interface between a nonwetting fluid (e.g., air) and a porous solid saturated with a wetting fluid (e.g., water or alcohol). Surface wave velocity and attenuation measurements were made on alcohol-saturated porous sintered glass at 100 kHz. The experimental results show clear evidence of the new ''slow'' surface mode predicted by Feng and Johnson

High coverage hydrogen adsorption on the Fe{sub 3}O{sub 4}(1 1 0) surface

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiaohu, E-mail: yuxiaohu950203@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Zhang, Xuemei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); Wang, Shengguang [State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Synfuels China Co., Ltd., Huairou, Beijing 101407 (China)

2015-10-30

Graphical abstract: - Highlights: • Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been studied by DFT + U method. • The adsorption of hydrogen prefers surface oxygen atoms on both Fe{sub 3}O{sub 4}(1 1 0) surface layers. • The more stable A layer has stronger adsorption energy than the less stable B layer. • The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. - Abstract: Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been systematically studied by density functional theory calculations including an on-site Hubbard term (GGA + U). The adsorption of hydrogen prefers surface oxygen atoms on both layers. The more stable A layer has stronger adsorption energy than the less stable B layer. The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. The adsorption mechanism has been analyzed on the basis of projected density of states (PDOS).

The characteristics of MBE-grown In{sub x}Al{sub 1−x}N/GaN surface states

Energy Technology Data Exchange (ETDEWEB)

Jiao, Wenyuan; Kong, Wei; Li, Jincheng; Kim, Tong-Ho; Brown, April S. [Department of Electrical and Computer Engineering, Duke University, Durham, North Carolina 27708 (United States); Collar, Kristen [Department of Physics, Duke University, Durham, North Carolina 27708 (United States); Losurdo, Maria [CNR-NANOTEC, Istituto di Nanotecnologia, via Orabona, 4-70126 Bari (Italy)

2016-08-22

The density and energy distribution of In{sub x}Al{sub 1−x}N/GaN surface donor states are studied for In{sub x}Al{sub 1−x}N structures with varying indium compositions. The results support a surface states model with a constant energy distribution of 2.17–2.63 eV below the conduction band minimum and a concentration of 4.64–8.27 × 10{sup 13} cm{sup −2} eV{sup −1}. It is shown that the properties of the surface states are affected by the surface indium composition x{sub s}, as opposed to the bulk composition, x{sub b} (In{sub x}Al{sub 1−x}N). Higher surface indium composition x{sub s} increases the density of surface states and narrows their energy distribution.

Effect of surface reactions on steel, Al{sub 2}O{sub 3} and Si{sub 3}N{sub 4} counterparts on their tribological performance with polytetrafluoroethylene filled composites

Energy Technology Data Exchange (ETDEWEB)

Shen, J.T.; Top, M. [Materials Innovation Institute M2i, Department of Applied Physics, Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands); Ivashenko, O.; Rudolf, P. [Department of Surfaces and Thin Films, Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands); Pei, Y.T., E-mail: y.pei@rug.nl [Materials Innovation Institute M2i, Department of Applied Physics, Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands); Department of Advanced Production Engineering, Engineering and Technology Institute Groningen, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands); De Hosson, J.Th.M., E-mail: j.t.m.de.hosson@rug.nl [Materials Innovation Institute M2i, Department of Applied Physics, Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands)

2015-03-15

Highlights: • The influence of surface reactions with PTFE on the tribo-performance of different counterparts is revealed. • Experiments confirm that friction can be greatly reduced by two F-terminated surfaces sliding over each other. • Al−F and Fe−F chemical bonding form on the surface of alumina and steel counterpart balls during sliding against PTFE-containing composite. • No Si−F bonding formed on Si{sub 3}N{sub 4} ball under the same condition, leading to higher friction and wear. - Abstract: The influence of surface reactions on the tribo-performance of steel, Al{sub 2}O{sub 3} and Si{sub 3}N{sub 4} balls sliding against polytetrafluoroethylene/SiO{sub 2}/epoxy composites was investigated. Al{sub 2}O{sub 3} ball were found to exhibit the best tribo-performance, namely a low coefficient of friction and the lowest wear rates of both the composites and the counterpart ball, when sliding against the PTFE filled composites. The difference in the tribo-performance of the Al{sub 2}O{sub 3} ball and the Si{sub 3}N{sub 4} ball can neither be attributed to the different morphology of the worn composite surfaces nor to the amount of PTFE transferred onto the wear surfaces. Instead we found that the friction is greatly reduced in the case of the Al{sub 2}O{sub 3} ball because two fluoro-terminated surfaces are sliding over each other; in fact, the formation of Al−F bonding was confirmed by X-ray photoelectron spectroscopy.

Alternative route for the synthesis of high surface-area η-Al{sub 2}O{sub 3}/Nb{sub 2}O{sub 5} catalyst from aluminum waste

Energy Technology Data Exchange (ETDEWEB)

Nogueira, Francisco G.E. [Departamento de Engenharia Química, Universidade Federal de São Carlos, CEP 13565-905, São Carlos, SP (Brazil); Asencios, Yvan J.O. [Departamento de Ciências do Mar, Universidade Federal de São Paulo, Av. Alm. Saldanha da Gama, 89, 11030-400, Santos, SP (Brazil); Rodella, Cristiane B. [Laboratório Nacional de Luz Sincrotron, Rua Giuseppe Máximo Scolfaro, 10.000 Polo II de Alta Tecnologia, 13083-970, Campinas, SP (Brazil); Porto, André L.M. [Departamento de Engenharia Química, Universidade Federal de São Carlos, CEP 13565-905, São Carlos, SP (Brazil); Assaf, Elisabete M., E-mail: eassaf@iqsc.usp.br [Instituto de Química de São Carlos, Universidade de São Paulo, Av. Trabalhador São Carlense, 400, 13560-970, São Carlos, SP (Brazil)

2016-12-01

This paper describes an alternative route for the production of a high-surface-area η-Al{sub 2}O{sub 3}/Nb{sub 2}O{sub 5} catalyst synthesized from aluminum waste and niobium ammonium oxalate (NH{sub 4}H{sub 2}[NbO−(C{sub 2}O{sub 4}){sub 3}]·3H{sub 2}O). The effects of thermal treatment on the morphology and crystal structure were examined by X-ray powder diffraction (XPD), surface area measurements (BET), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), X-ray fluorescence, dynamic scanning calorimetry (DSC) and thermogravimetry (TG) measurement. The catalysts were evaluated in the glycerol dehydration reaction. Catalytic tests were carried out with reactants in gas-phase with a fixed-bed reactor at 300° and 400 °C. - Highlights: • Alternative route for the production of a high-surface-area Al{sub 2}O{sub 3}/Nb{sub 2}O{sub 5} catalyst. • The catalyst was synthesized from aluminum waste and ammonium oxalato-niobate. • NbAl catalyst obtained showed high specific surface area (330 m{sup 2}/g). • The catalyst produced by this method showed promise in the dehydration of glycerol.

Smart monitoring of fluid intake and bladder voiding using pressure sensitive mats.

Science.gov (United States)

Cohen-McFarlane, Madison; Green, James R; Knoefel, Frank; Goubran, Rafik

2016-08-01

Pressure sensitive mats have been used in noninvasive smart monitoring for a variety of problems including breathing rate monitoring, sleep monitoring, mobility, and weight. This paper describes a proof of concept application of pressure mats to monitor fluid intake/output (fluid cycle) events during the night. The ability to more accurately track such events has potential implications for monitoring those individuals who have nocturia, a condition where a person wakes at night to urinate. Data were collected from a healthy young female subject instructed to drink as much water as was comfortable (700mL) and lie in a supine position on a mattress located directly on three pressure mats. This was compared to an initial data set collected immediately after voiding but before drinking, 30 minutes after drinking, 60 minutes after drinking and a final data set after again voiding the bladder. The additional pressure from the 700mL of water was detectible and tracked over the course of the hour-long testing session under idealized conditions. This provides a proof-of-concept that nocturnal fluid intake and bladder voiding events can be tracked using non-invasive pressure-sensitive mats, however additional testing and development is required to achieve a deployable monitoring system.

Random Process Theory Approach to Geometric Heterogeneous Surfaces: Effective Fluid-Solid Interaction

Science.gov (United States)

Khlyupin, Aleksey; Aslyamov, Timur

2017-06-01

Realistic fluid-solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is considered as a model of random surface with high geometric roughness. We provide the general theory of effective coarse-grained fluid-solid potential by proper averaging of the free energy of fluid molecules which interact with the solid media. This procedure is largely based on the theory of random processes. We apply first passage time probability problem and assume the local Markov properties of random surfaces. General expression of effective fluid-solid potential is obtained. In the case of small surface irregularities analytical approximation for effective potential is proposed. Both amorphous materials with large surface roughness and crystalline solids with several types of fcc lattices are considered. It is shown that the wider the lattice spacing in terms of molecular diameter of the fluid, the more obtained potentials differ from classical ones. A comparison with published Monte-Carlo simulations was discussed. The work provides a promising approach to explore how the random geometric heterogeneity affects on thermodynamic properties of the fluids.

Surface termination structure of α-Ga{sub 2}O{sub 3} film grown by mist chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Tamba, Daiki; Kubo, Osamu, E-mail: okubo@eei.eng.osaka-u.ac.jp; Osaka, Shun; Takahashi, Kazuki; Tabata, Hiroshi; Katayama, Mitsuhiro [Division of Electrical, Electronic and Information Engineering, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Oda, Masaya [Photonics and Electronics Science and Engineering Center, Graduate School of Engineering, Kyoto University, Kyoto 615-8520 (Japan); FLOSFIA Inc., 1-36 Goryoohara, Kyoto 615-8245 (Japan); Kaneko, Kentaro; Fujita, Shizuo [Photonics and Electronics Science and Engineering Center, Graduate School of Engineering, Kyoto University, Kyoto 615-8520 (Japan)

2016-06-20

The surface structure of α-Ga{sub 2}O{sub 3}(0001) grown on an α-Al{sub 2}O{sub 3}(0001) substrate by mist chemical vapor deposition was studied by coaxial impact-collision ion scattering spectroscopy (CAICISS) and atomic force microscopy (AFM). The minimum step height observed in the AFM image was 0.21 ± 0.01 nm, coinciding with the height of three atomic layers of α-Ga{sub 2}O{sub 3}(0001). It was revealed by CAICISS analysis that the surface of α-Ga{sub 2}O{sub 3}(0001) is terminated by a Ga layer followed by an O layer, which is consistent with the surface termination of α-Al{sub 2}O{sub 3}(0001). A structural model taking surface relaxation into account was also constructed by fitting the simulated curve for the azimuth angle dependence of the Ga intensity to the experimental dependence. The resultant structural model is similar to the model of an α-Al{sub 2}O{sub 3}(0001) surface, which indicates analogous behavior in corundum crystals.

Enhanced surface transfer doping of diamond by V{sub 2}O{sub 5} with improved thermal stability

Energy Technology Data Exchange (ETDEWEB)

Crawford, Kevin G., E-mail: k.crawford.2@research.gla.ac.uk; Moran, David A. J. [School of Engineering, University of Glasgow, Glasgow G12 8LT (United Kingdom); Cao, Liang [High Magnetic Field Laboratory, Chinese Academy of Sciences, 350 Shushanhu Road, Hefei 230031, Anhui (China); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore, Singapore 117542 (Singapore); Qi, Dongchen, E-mail: d.qi@latrobe.edu.au [Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria 3086 (Australia); Tallaire, Alexandre [LSPM-CNRS, Université Paris 13, Villetaneuse 93430 (France); Limiti, E.; Verona, C. [Department of Industrial Engineering, “Tor Vergata” University, Rome 00173 (Italy); Wee, Andrew T. S. [Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore, Singapore 117542 (Singapore)

2016-01-25

Surface transfer doping of hydrogen-terminated diamond has been achieved utilising V{sub 2}O{sub 5} as a surface electron accepting material. Contact between the oxide and diamond surface promotes the transfer of electrons from the diamond into the V{sub 2}O{sub 5} as revealed by the synchrotron-based high resolution photoemission spectroscopy. Electrical characterization by Hall measurement performed before and after V{sub 2}O{sub 5} deposition shows an increase in hole carrier concentration in the diamond from 3.0 × 10{sup 12} to 1.8 × 10{sup 13 }cm{sup −2} at room temperature. High temperature Hall measurements performed up to 300 °C in atmosphere reveal greatly enhanced thermal stability of the hole channel produced using V{sub 2}O{sub 5} in comparison with an air-induced surface conduction channel. Transfer doping of hydrogen-terminated diamond using high electron affinity oxides such as V{sub 2}O{sub 5} is a promising approach for achieving thermally stable, high performance diamond based devices in comparison with air-induced surface transfer doping.

Effect of surface treatment of thermoelectric materials on the properties of thermoelements made from solid solutions of Bi/sub 2/Te/sub 3/-Bi/sub 2/Se/sub 3/ and Bi/sub 2/Te/sub 3/-Sb/sub 2/Te/sub 3/ systems

Energy Technology Data Exchange (ETDEWEB)

Alieva, T.D.; Abdinov, D.Sh.; Salaev, Eh.Yu.

1981-10-01

Effect of surface treatment technology of samples of solid solutions of Ei/sub 2/Te/sub 3/-Bi/sub 2/Se/sub 3/ and Bi/sub 2/Te/sub 3/-Sb/sub 2/Te/sub 3/ systems on their thermoelectric efficiency is studied. Branches of thermoelements have been produced with the help of electroerosion or mechanical cutting of monocrystal ingots of semiconducting solid Bi/sub 2/Te/sub 3/-base solutions. It is shown that in case of the treatment of side surfaces of branches of thermoelements produced of monocrystals of Bi/sub 2/Te/sub 3/ base solid solutions their thermoelectrical efficiency grows considerably. Maximum growth of efficiency (approximately 20%) is observed during mechanical grinding of branches surfaces with diamond paste with the following chemical or electrochemical etching.

Fluid flow measurements by means of vibration monitoring

International Nuclear Information System (INIS)

Campagna, Mauro M; Dinardo, Giuseppe; Fabbiano, Laura; Vacca, Gaetano

2015-01-01

The achievement of accurate fluid flow measurements is fundamental whenever the control and the monitoring of certain physical quantities governing an industrial process are required. In that case, non-intrusive devices are preferable, but these are often more sophisticated and expensive than those which are more common (such as nozzles, diaphrams, Coriolis flowmeters and so on). In this paper, a novel, non-intrusive, simple and inexpensive methodology is presented to measure the fluid flow rate (in a turbulent regime) whose physical principle is based on the acquisition of transversal vibrational signals induced by the fluid itself onto the pipe walls it is flowing through. Such a principle of operation would permit the use of micro-accelerometers capable of acquiring and transmitting the signals, even by means of wireless technology, to a control room for the monitoring of the process under control. A possible application (whose feasibility will be investigated by the authors in a further study) of this introduced technology is related to the employment of a net of micro-accelerometers to be installed on pipeline networks of aqueducts. This apparatus could lead to the faster and easier detection and location of possible leaks of fluid affecting the pipeline network with more affordable costs. The authors, who have previously proven the linear dependency of the acceleration harmonics amplitude on the flow rate, here discuss an experimental analysis of this functional relation with the variation in the physical properties of the pipe in terms of its diameter and constituent material, to find the eventual limits to the practical application of the measurement methodology. (paper)

Fluid flow measurements by means of vibration monitoring

Science.gov (United States)

Campagna, Mauro M.; Dinardo, Giuseppe; Fabbiano, Laura; Vacca, Gaetano

2015-11-01

The achievement of accurate fluid flow measurements is fundamental whenever the control and the monitoring of certain physical quantities governing an industrial process are required. In that case, non-intrusive devices are preferable, but these are often more sophisticated and expensive than those which are more common (such as nozzles, diaphrams, Coriolis flowmeters and so on). In this paper, a novel, non-intrusive, simple and inexpensive methodology is presented to measure the fluid flow rate (in a turbulent regime) whose physical principle is based on the acquisition of transversal vibrational signals induced by the fluid itself onto the pipe walls it is flowing through. Such a principle of operation would permit the use of micro-accelerometers capable of acquiring and transmitting the signals, even by means of wireless technology, to a control room for the monitoring of the process under control. A possible application (whose feasibility will be investigated by the authors in a further study) of this introduced technology is related to the employment of a net of micro-accelerometers to be installed on pipeline networks of aqueducts. This apparatus could lead to the faster and easier detection and location of possible leaks of fluid affecting the pipeline network with more affordable costs. The authors, who have previously proven the linear dependency of the acceleration harmonics amplitude on the flow rate, here discuss an experimental analysis of this functional relation with the variation in the physical properties of the pipe in terms of its diameter and constituent material, to find the eventual limits to the practical application of the measurement methodology.

Thermal healing of the sub-surface damage layer in sapphire

International Nuclear Information System (INIS)

Pinkas, Malki; Lotem, Haim; Golan, Yuval; Einav, Yeheskel; Golan, Roxana; Chakotay, Elad; Haim, Avivit; Sinai, Ela; Vaknin, Moshe; Hershkovitz, Yasmin; Horowitz, Atara

2010-01-01

The sub-surface damage layer formed by mechanical polishing of sapphire is known to reduce the mechanical strength of the processed sapphire and to degrade the performance of sapphire based components. Thermal annealing is one of the methods to eliminate the sub-surface damage layer. This study focuses on the mechanism of thermal healing by studying its effect on surface topography of a- and c-plane surfaces, on the residual stresses in surface layers and on the thickness of the sub-surface damage layer. An atomically flat surface was developed on thermally annealed c-plane surfaces while a faceted roof-top topography was formed on a-plane surfaces. The annealing resulted in an improved crystallographic perfection close to the sample surface as was indicated by a noticeable decrease in X-ray rocking curve peak width. Etching experiments and surface roughness measurements using white light interferometry with sub-nanometer resolution on specimens annealed to different extents indicate that the sub-surface damage layer of the optically polished sapphire is less than 3 μm thick and it is totally healed after thermal treatment at 1450 deg. C for 72 h.

Impact of air exposure and surface chemistry on Li-Li<sub>7sub>La>3sub>Zr>2sub>O>12sub> interfacial resistance

Energy Technology Data Exchange (ETDEWEB)

Sharafi, Asma [Univ. of Michigan, Ann Arbor, MI (United States); Yu, Seungho [Univ. of Michigan, Ann Arbor, MI (United States); Naguib, Michael [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lee, Marcus [Univ. of Michigan, Ann Arbor, MI (United States); Ma, Cheng [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Meyer, Harry M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Nanda, Jagjit [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Chi, Maiofang [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Siegel, Donald J. [Univ. of Michigan, Ann Arbor, MI (United States); Sakamoto, Jeff [Univ. of Michigan, Ann Arbor, MI (United States)

2017-06-15

Li<sub>7sub>La>3sub>Zr>2sub>O>12sub> (LLZO) is a promising solid-state electrolyte that could enable solid-state-batteries (SSB) employing metallic Li anodes. For a SSB to be viable, the stability and charge transfer kinetics at the Li–LLZO interface should foster facile plating and stripping of Li. Contrary to these goals, recent studies have reported high Li–LLZO interfacial resistance which was attributed to a contamination layer that forms upon exposure of LLZO to air. This study clarifies the mechanisms and consequences associated with air exposure of LLZO; additionally, strategies to minimize these effects are described. First-principles calculations reveal that LLZO readily reacts with humid air; the most favorable reaction pathway involves protonation of LLZO and formation of Li2CO3. X-ray photoelectron spectroscopy, scanning electron microscopy, Raman spectroscopy, and transmission electron microscopy were used to characterize the surface and subsurface chemistry of LLZO as a function of relative humidity and exposure time. Additionally, electrochemical impedance spectroscopy was used to measure the Li–LLZO interfacial resistance as a function of surface contamination. These data indicate that air exposure-induced contamination impacts the interfacial resistance significantly, when exposure time exceeds 24 h. The results of this study provide valuable insight into the sensitivity of LLZO to air and how the effects of air contamination can be reversed.

Development of radioactive surface contamination monitor

International Nuclear Information System (INIS)

Hashimoto, Tadao; Hasegawa, Toru; Fukumoto, Keisuke; Ooki, Yasushi

2008-01-01

In the radiation facilities such as nuclear power plants, surface contamination of the people accessing or articles conveyed in and out of the radiation controlled areas is detected and monitored by installing contamination monitors at the boundary of controlled areas and uncontrolled areas against the expansion of the radioactive materials to out of the facilities. It is required for the surface contamination of articles to be tightened of control criteria as 'Guidelines for discrimination ways of nonradioactive waste (not classified as radioactive waste) generated from nuclear power plants' (hereinafter referred to as 'the Guideline') was established by the Nuclear and Industrial Safety Agency of the Ministry of Economy, Trade and Industry in August, 2005. It predicts that the control criteria of monitors other than article monitors are also tightened in the future. Fuji electric has been fabricating and delivering surface contamination detecting monitors. Now we are developing the new contamination monitor corresponding to the tightening of the control criteria. 'Large article transfer monitor', 'Clothing monitor' and 'Body surface contamination monitor' are introduced in this article. (author)

MoS{sub 2} on an amorphous HfO{sub 2} surface: An ab initio investigation

Energy Technology Data Exchange (ETDEWEB)

Scopel, W. L., E-mail: wlscopel@if.uff.br [Departamento de Física, Universidade Federal do Espírito Santo, Vitória, Brazil and Departamento de Ciências Exatas, Universidade Federal Fluminense, Volta Redonda, Rio de Janerio (Brazil); Miwa, R. H., E-mail: hiroki@infis.ufu.br; Schmidt, T. M., E-mail: tome@infis.ufu.br [Instituto de Física, Universidade Federal de Uberlândia, Uberlândia, Minas Gerais (Brazil); Venezuela, P., E-mail: vene@if.uff.br [Instituto de Física, Universidade Federal Fluminense, Niterói, Rio de Janerio (Brazil)

2015-05-21

The energetic stability, electronic and structural properties of MoS{sub 2} adsorbed on an amorphous a-HfO{sub 2} surface (MoS{sub 2}/HfO{sub 2}) are examined through ab initio theoretical investigations. Our total energy results indicate that the formation of MoS{sub 2}/HfO{sub 2} is an exothermic process with an adsorption energy of 34 meV/Å{sup 2}, which means that it is more stable than similar systems like graphene/HfO{sub 2} and MoS{sub 2}/SiO{sub 2}. There are no chemical bonds at the MoS{sub 2}-HfO{sub 2} interface. Upon formation of MoS{sub 2}/HfO{sub 2}, the electronic charge distribution is mostly localized at the interface region with no net charge transfer between the adsorbed MoS{sub 2} sheet and –HfO{sub 2} surface. However, the MoS{sub 2} sheet becomes n-type doped when there are oxygen vacancies in the HfO{sub 2} surface. Further investigation of the electronic distribution reveals that there are no electron- and hole-rich regions (electron-hole puddles) on the MoS{sub 2} sheet, which makes this system promising for use in high-speed nanoelectronic devices.

Theoretical reconsideration of antiferromagnetic Fermi surfaces in URu{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Yamagami, Hiroshi, E-mail: yamagami@cc.kyoto-su.ac.jp [Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan)

2011-01-01

In an itinerant 5f-band model, the antiferromagnetic (AFM) Fermi surfaces of URu{sub 2}Si{sub 2} are reconsidered using a relativistic LAPW method within a local spin-density approximation, especially taking into account the lattice parameters dependent on pressures. The reduction of the z-coordinate of the Si sites results in the effect of flattening the Ru-Si layers of URu{sub 2}Si{sub 2} crystal structure, thus weakening a hybridization/mixing between the U-5f and Ru-4d states in the band structure. Consequently the 5f bands around the Fermi level are more flat in the dispersion with decreasing the z-coordinate, thus producing three closed Fermi surfaces like 'curing-stone', 'rugby-ball' and 'ball'. The origins of de Haas-van Alphen branches can be qualitatively interpreted from the obtained AFM Fermi surfaces.

Conceptual design of intravenous fluids level monitoring system - a review

Science.gov (United States)

Verma, Prikshit; Padmani, Aniket; Boopathi, M.

2017-11-01

In today’s world of automation, there are advancements going on in all the fields. Each work is being automated day by day. However, if we see our current medical care system, some areas require manual caretaker and are loaded with heavy jobs, which consumes a lot of time. Nevertheless, since the work is related to human health, it should be properly done and that too with accuracy. An example of such a particular work is injecting saline or Intravenous (IV) fluids in a patient. The monitoring of such fluids needs utter attention as if the bottle of the fluid is not changed on time, it may lead to various problems for the patients like backflow of blood, blood loss etc. Various researches have been performed to overcome such critical situation. Different monitoring and alerting techniques are described in different researches. So, in our study, we will go through the researches done in this particular field and will see how different ideas are implemented.

Comparison of CFD results for a supercritical CO{sub 2} compressor with compressible and incompressible working fluids

Energy Technology Data Exchange (ETDEWEB)

Kim, Seong Gu; Baik, Seungjoon; Cho, Seong Kuk; Lee, Jeong Ik [KAIST, Daejeon (Korea, Republic of); Kwon, Jinsu [Hanyang University, Seoul (Korea, Republic of)

2015-10-15

The authors compared flow parameters of S-CO{sub 2} compressor with various fluids to investigate fluid characteristic of S-CO{sub 2}, and performance of pump-derived type (shrouded impeller) compressor. The CFD results showed that the isentropic efficiency of CO{sub 2} case has a comparable performance in comparison to the water since S-CO{sub 2} has a meta-incompressible characteristic near the critical point. Because of the low rotating speed and non-optimized geometry of impeller, the pressure ratio of the compressor is low. However, the authors confirmed that this shrouded type impeller for S-CO{sub 2} compressor showed good performance as much as water case. This results will be reflected in the future S-CO{sub 2} compressor design. As the generation IV reactors are being researched, the supercritical carbon dioxide (S-CO{sub 2}) Brayton cycle is identified as one of the promising power conversion cycles. The S-CO{sub 2} cycle has several advantages: high efficiency it has compact cycle components and simple layout. It can be also used for a power conversion system of sodium-cooled fast reactor (SFR) since it can eliminate potential safety issue of the sodium-water reactions. Moreover, the S-CO{sub 2} cycle can be used for small modular reactors (SMR) application since it occupies small footprint and it can designed as an economical dry-cooling system for SMRs. Design of a compressor is the major technical issue in development of S-CO{sub 2} cycle. Main purposes of this experiment are to accumulate operating experience of the S-CO{sub 2} loop, and to obtain fundamental data for the compressor design optimization near the critical point. However, inside the compressor, it is hard to know flow parameters by measurements. Therefore, the authors performed a CFD analysis to obtain useful flow parameters inside the compressor. The main goal of this paper is studying the flow parameters of pump-derived type compressor with S-CO{sub 2}, water, and air fluids to

Oral Fluid vs. Urine Analysis to Monitor Synthetic Cannabinoids and Classic Drugs Recent Exposure.

Science.gov (United States)

Blandino, Vincent; Wetzel, Jillian; Kim, Jiyoung; Haxhi, Petrit; Curtis, Richard; Concheiro, Marta

2017-01-01

Urine is a common biological sample to monitor recent drug exposure, and oral fluid is an alternative matrix of increasing interest in clinical and forensic toxicology. Limited data are available about oral fluid vs. urine drug disposition, especially for synthetic cannabinoids. To compare urine and oral fluid as biological matrices to monitor recent drug exposure among HIV-infected homeless individuals. Seventy matched urine and oral fluid samples were collected from 13 participants. Cannabis, amphetamines, benzodiazepines, cocaine and opiates were analyzed in urine by the enzyme-multipliedimmunoassay- technique and in oral fluid by liquid chromatography tandem mass spectrometry (LCMSMS). Eleven synthetic cannabinoids were analyzed in urine and in oral fluid by LC-MSMS. Five oral fluid samples were positive for AB-FUBINACA. In urine, 4 samples tested positive for synthetic cannabinoids PB-22, 5-Fluoro-PB-22, AB-FUBINACA, and metabolites UR-144 5-pentanoic acid and UR-144 4-hydroxypentyl. In only one case, oral fluid and urine results matched, both specimens being AB-FUBINACA positive. For cannabis, 40 samples tested positive in urine and 30 in oral fluid (85.7% match). For cocaine, 37 urine and 52 oral fluid samples were positive (75.7% match). Twenty-four urine samples were positive for opiates, and 25 in oral fluid (81.4% match). For benzodiazepines, 23 samples were positive in urine and 25 in oral fluid (85.7% match). These results offer new information about drugs disposition between urine and oral fluid. Oral fluid is a good alternative matrix to urine for monitoring cannabis, cocaine, opiates and benzodiazepines recent use; however, synthetic cannabinoids showed mixed results. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

FY1995 study of the development of high resolution sub-surface fluid monitoring system using accurately controlled routine operated seismic system; 1995 nendo seimitsu seigyo shingen ni yoru chika ryutai koseido monitoring no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-03-01

The development of new seismic sounding system based on the new concept of ACROSS (Accurately Controlled Routine-Operated Signal System) are aimed. The system includes not only new seismic sources but also the analyzing software specialize for the monitoring of the change in subsurface velocity structure, especially in the area of fluid resources. Powerful sources with good portability are strongly required for the practical data acquisition. Portable ACROSS sources (HIT) are developed. The system is mainly used to obtain the high resolution structure with relatively short penetration distance. The principal specifications are as follows: (1) 100Hz in maximum. (2) Linearly oscillating single force. This is generated by the combined two rotator moving opposite directions. (3) Variable force with little work. (4) Very simple source-ground coupler just put even on the soft ground. The system was operated at Yamagawa geothermal plant for two months. The result of the experiments are: (1) We confirmed the stability of the source over wide frequency range up to 100Hz. (2) We confirmed that amplitude and phase of ACROSS signal can be obtained very precisely. (3) Very small change of signal which arise from subsurface velocity change are detected. This indicates that the system can detect the slight velocity change due to variation of subsurface fluid system. (NEDO)

The spring balance: a simple monitoring system for fluid overload during hysteroscopic surgery

NARCIS (Netherlands)

Ankum, W. M.; Vonk, J.

1994-01-01

Fluid overload may arise during hysteroscopic surgery, caused by absorption of fluid used to distend the uterus. Continuous monitoring of the fluid balance is required to prevent this serious complication. Commercial equipment does not serve this purpose adequately. We describe a simple solution. We

Geochemical Study of Natural CO{sub 2} Emissions in the French Massif Central: How to Predict Origin, Processes and Evolution of CO{sub 2} Leakage; Etude geochimique des emissions naturelles de CO{sub 2} du Massif Central: origine et processus de migration du gaz

Energy Technology Data Exchange (ETDEWEB)

Battani, A.; Deville, E.; Faure, J.L.; Jeandel, E.; Noirez, S.; Tocque, E.; Benoit, Y.; Schmitz, J.; Parlouar, D. [Institut francais du petrole, IFP, 92 - Rueil-Malmaison (France); Sarda, P. [Paris-11 Univ., 91 - Orsay (France); Gal, F.; Le Pierres, K.; Brach, M.; Braibant, G.; Beny, C. [Bureau de Recherches Geologiques et Minieres (BRGM), 45 - Orleans (France); Pokryszka, Z.; Charmoille, A.; Bentivegna, G. [Institut National de l' Environnement Industriel et des Risques (INERIS), Parc Technologique ALATA, 60 - Verneuil-en-Halatte (France); Pironon, J.; De Donato, P.; Garnier, C.; Cailteau, C.; Barres, O.; Radilla, G.; Bauer, A. [Institut National Polytechnique de Lorraine (INPL), 54 - Vandoeuvre-les-Nancy (France)

2010-07-15

This study presents an overview of some results obtained within the French ANR (National Agency of Research) supported Geocarbone-Monitoring research program. The measurements were performed in Sainte-Marguerite, located in the French Massif Central. This site represents a natural laboratory for CO{sub 2}/fluid/rock interactions studies, as well as CO{sub 2} migration mechanisms towards the surface. The CO{sub 2} leaking character of the studied area also allows to test and validate measurements methods and verifications for the future CO{sub 2} geological storage sites. During these surveys, we analyzed soil CO{sub 2} fluxes and concentrations. We sampled and analyzed soil gases, and gas from carbo-gaseous bubbling springs. A one-month continuous monitoring was also tested, to record the concentration of CO{sub 2} both in atmosphere and in the soil at a single point. We also developed a new methodology to collect soil gas samples for noble gas abundances and isotopic analyses, as well as carbon isotopic ratios. Our geochemical results, combined with structural geology, show that the leaking CO{sub 2} has a very deep origin, partially mantle derived. The gas rises rapidly along normal and strike-slip active faults. CO{sub 2} soil concentrations (also showing a mantle derived component) and CO{sub 2} fluxes are spatially variable, and reach high values. The recorded atmospheric CO{sub 2} is not very high, despite the important CO{sub 2} degassing throughout the whole area. (authors)

Electronic parameters and top surface chemical stability of RbPb{sub 2}Br{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Isaenko, L.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Pokrovsky, L.D. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Tarasova, A.Yu. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

2012-01-16

Highlights: Black-Right-Pointing-Pointer Bridgman growth of RbPb{sub 2}Br{sub 5} crystal. Black-Right-Pointing-Pointer Electronic structure measurements with XPS. Black-Right-Pointing-Pointer Optical crystalline surface fabrication. - Abstract: The RbPb{sub 2}Br{sub 5} crystal has been grown by Bridgman method. The electronic structure of RbPb{sub 2}Br{sub 5} has been measured with XPS for a powder sample. High chemical stability of RbPb{sub 2}Br{sub 5} surface is verified by weak intensity of O 1s core level recorded by XPS and structural RHEED measurements. Chemical bonding effects have been observed by the comparative analysis of element core levels and crystal structure of RbPb{sub 2}Br{sub 5} and several rubidium- and lead-containing bromides using binding energy difference parameters {Delta}{sub Rb} = (BE Rb 3d - BE Br 3d) and {Delta}{sub Pb} = (BE Pb 4f{sub 7/2} - BE Br 3d).

Comparative study of Cu(In,Ga)Se{sub 2}/CdS and Cu(In,Ga)Se{sub 2}/In{sub 2}S{sub 3} systems by surface photovoltage techniques

Energy Technology Data Exchange (ETDEWEB)

Dittrich, Th., E-mail: dittrich@helmholtz-berlin.de [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Gonzáles, A.; Rada, T. [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Departamento de Física, Universidad del Norte, km 5 Via Pto Colombia, Barranquilla (Colombia); Rissom, T.; Zillner, E. [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Sadewasser, S. [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); International Iberian Nanotechnology Laboratory, Avda. Mestre José Veiga s/n, 4715-330 Braga (Portugal); Lux-Steiner, M. [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany)

2013-05-01

Cu(In,Ga)Se{sub 2} absorbers were investigated by surface photovoltage (SPV) in the Kelvin probe and fixed capacitor arrangements before and after deposition of CdS or In{sub 2}S{sub 3} buffer layers as well as before and after deposition of ZnO window layers. Effects such as passivation of surface states, partial electron transfer from ZnO into In{sub 2}S{sub 3}, decrease of the ideality factor after deposition of ZnO and slow electron transfer through In{sub 2}S{sub 3} were demonstrated. The results show that SPV measurements open opportunities for dedicated studies of charge separation at hetero-junctions between ordered and disordered semiconductors. - Highlights: ► Surface photovoltage on chalcopyrite/buffer layer at different stages of formation ► Comparison of CdS and In{sub 2}S{sub 3} buffer layers ► Information about surface passivation, surface defects, ideality factor, transport.

Polygons on a rotating fluid surface

DEFF Research Database (Denmark)

Jansson, Thomas R.N.; Haspang, Martin P.; Jensen, Kåre H.

2006-01-01

We report a novel and spectacular instability of a fluid surface in a rotating system. In a flow driven by rotating the bottom plate of a partially filled, stationary cylindrical container, the shape of the free surface can spontaneously break the axial symmetry and assume the form of a polygon...... rotating rigidly with a speed different from that of the plate. With water, we have observed polygons with up to 6 corners. It has been known for many years that such flows are prone to symmetry breaking, but apparently the polygonal surface shapes have never been observed. The creation of rotating...

Structure compatibility of TiO{sub 2} and SiO{sub 2} surfaces

Energy Technology Data Exchange (ETDEWEB)

Tokarský, Jonáš, E-mail: jonas.tokarsky@vsb.cz; Čapková, Pavla

2013-11-01

A simple method for the estimation of the most suitable mutual crystallographic orientations of TiO{sub 2} nanoparticles anchored on SiO{sub 2} substrate is presented in this work. Number of overlapping titanium and oxygen atoms creating atomic pairs can be used to quantify the structure compatibility. These atomic pairs are obtained directly from non-optimized TiO{sub 2} and SiO{sub 2} atomic planes. The descriptions of algorithms being implemented as scripts into the MATLAB environment in order to make the method more effective are also provided. This method can help with the selection of the most promising (h k l) planes of TiO{sub 2} and SiO{sub 2} adjacent surfaces and the outputs are in good agreement with results of molecular modeling of TiO{sub 2} nanoparticles anchored on SiO{sub 2} surfaces within the meaning of ability to determine the optimized models with the highest and the lowest TiO{sub 2}–SiO{sub 2} adhesion energies. To the best of our knowledge, there is no other such simple and efficient method providing this information, which is very important for molecular modeling of nanoparticle-crystalline substrate systems.

Contamination Control and Monitoring of Tap Water as Fluid in Industrial Tap Water Hydraulic Systems

DEFF Research Database (Denmark)

Conrad, Finn; Adelstorp, Anders

1998-01-01

Presentation of results and methods addressed to contamination control and monitoring of tap water as fluid in tap water hydraulic systems.......Presentation of results and methods addressed to contamination control and monitoring of tap water as fluid in tap water hydraulic systems....

Surface modification and enhanced photocatalytic CO{sub 2} reduction performance of TiO{sub 2}: a review

Energy Technology Data Exchange (ETDEWEB)

Low, Jingxiang; Cheng, Bei [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Luoshi Road 122, Wuhan 430070 (China); Yu, Jiaguo, E-mail: jiaguoyu@yahoo.com [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Luoshi Road 122, Wuhan 430070 (China); Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)

2017-01-15

Highlights: • Application of modified TiO{sub 2} for photocatalytic CO{sub 2} reduction is summarized. • Different surface modification strategies of TiO{sub 2} are highlighted. • Summary and future perspectives in photocatalytic CO{sub 2} reduction are presented. - Abstract: Recently, the excessive consumption of fossil fuels has caused high emissions of the greenhouse gases, CO{sub 2} into atmosphere and global energy crisis. Mimicking the natural photosynthesis by using semiconductor materials to achieve photocatalytic CO{sub 2} reduction into valuable solar fuels such as CH{sub 4}, HCO{sub 2}H, CH{sub 2}O, and CH{sub 3}OH is known as one of the best solutions for addressing the aforementioned issue. Among various proposed photocatalysts, TiO{sub 2} has been extensively studied over the past several decades for photocatalytic CO{sub 2} reduction because of its cheapness and environmental friendliness. Particularly, surface modification of TiO{sub 2} has attracted numerous interests due to its capability of enhancing the light absorption ability, facilitating the electron-hole separation, tuning the CO{sub 2} reduction selectivity and increasing the CO{sub 2} adsorption and activation ability of TiO{sub 2} for photocatalytic CO{sub 2} reduction. In this review, recent approaches of the surface modification of TiO{sub 2} for photocatalytic CO{sub 2} reduction, including impurity doping, metal deposition, alkali modification, heterojunction construction and carbon-based material loading, are presented. The photocatalytic CO{sub 2} reduction mechanism and pathways of TiO{sub 2} are discussed. The future research direction and perspective of photocatalytic CO{sub 2} reduction over surface-modified TiO{sub 2} are also presented.

Mobility of Yield-Stress Fluids on Lubricant-Impregnated Surface

Science.gov (United States)

Rapoport, Leonid; Solomon, Brian; Varanasi, Kripa; Varanasi Research Group Team

2017-11-01

Assuring the flow of yield-stress fluids is an essential problem for various industries such as consumer products, health care, and energy. Elimination of wall-induced pinning forces can potentially save power and cleaning costs as well as enable the flow of yield-stress fluids in channels previously considered too narrow. Lubricant-Impregnated Surfaces (LIS) have been demonstrated to change the dynamic behavior of yield-stress fluids and enable them to move as bulk without shearing at all. However, despite the wide applicability of this technology and its general appeal, the fundamental principles governing the performance of yield stress fluids on LIS have not yet been fully explained. In this work, we explore the mobility of yield stress fluids on a wide range of LIS, and explain the connection between macroscale behavior and the microscale properties of the LIS. Specifically, we show a striking difference in mobility between an LIS that contains a lubricant which fully spreads on the rough micro-features of the surface, and an LIS that contains a lubricant which only imbibes these features but does spread over them

Investigation of fluorine adsorption on nitrogen doped MgAl{sub 2}O{sub 4} surface by first-principles

Energy Technology Data Exchange (ETDEWEB)

Lv, Xiaojun; Xu, Zhenming [School of Metallurgy and Environment, Central South University, Changsha 410083 (China); Li, Jie, E-mail: 15216105346@163.com [School of Metallurgy and Environment, Central South University, Changsha 410083 (China); Chen, Jiangan [Faculty of Resource and Environmental Engineering, Jiangxi University of Science and Technology, Ganzhou 341000 (China); Liu, Qingsheng [Faculty of Metallurgical and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou 341000 (China)

2016-07-15

Graphical abstract: First-principles calculations indicate that MgAl{sub 2}O{sub 4} surface is fluorine-loving, but hydrophobic. N doped MgAl{sub 2}O{sub 4} (100) surface structure shows the highest fluorine adsorption performance and fluorine atom is more preferentially adsorbed on the Mg-Al bridge site. The fluorine adsorption intensity follow this order: N doped MgAl{sub 2}O{sub 4} (100) > Al{sub 2}O{sub 3} (0001) > MgAl{sub 2}O{sub 4} (100) > MgO (100). N doped MgAl{sub 2}O{sub 4} is a promising candidate for fluorine removal. - Highlights: • MgAl{sub 2}O{sub 4} surface is fluorine-loving, not hydrophilic. • Fluorine preferentially adsorbs on the Mg-Al bridge site. • Adsorption intensity follow this order: N doped MgAl{sub 2}O{sub 4} > Al{sub 2}O{sub 3} > MgAl{sub 2}O{sub 4} > MgO. • Excellent adsorption performance attributes to electron compensation of N atom. • Nitrogen doped MgAl{sub 2}O{sub 4} is a promising candidate for fluorine removal. - Abstract: The nature of fluorine adsorption on pure and N doped MgAl{sub 2}O{sub 4} surface has been investigated by first-principles calculations based on the density functional theory. Calculated results indicate that MgAl{sub 2}O{sub 4} surface is fluorine-loving, not hydrophilic. Nitrogen doped MgAl{sub 2}O{sub 4} (100) surface shows the highest fluorine adsorption performance and fluorine atom preferentially adsorbs on the Mg-Al bridge site. The fluorine adsorption intensity follow this order: Nitrogen doped MgAl{sub 2}O{sub 4} (100) > Al{sub 2}O{sub 3} (0001) > MgAl{sub 2}O{sub 4} (100) > MgO (100). In-depth PDOS analysis suggested that 2p orbitals of F atom strongly hybridized with 3s- and 3p-orbitals of Al atom contribute to its high adsorption intensity. According to the analysis of Hirshfeld charge, the excellent fluorine adsorption performance of nitrogen doped MgAl{sub 2}O{sub 4} attributes to the electron compensation effect of nitrogen atom and strong electrostatic interactions. All these

Characteristics of surface O{sub 3} over Qinghai Lake area in Northeast Tibetan Plateau, China

Energy Technology Data Exchange (ETDEWEB)

Shen, Zhenxing, E-mail: zxshen@mail.xjtu.edu.cn [Department of Environmental Sciences and Engineering, Xi' an Jiaotong University, Xi' an (China); Key Lab of Aerosol, SKLLQG, Institute of Earth Environment, Chinese Academy of Sciences, Xi' an (China); Cao, Junji [Key Lab of Aerosol, SKLLQG, Institute of Earth Environment, Chinese Academy of Sciences, Xi' an (China); Zhang, Leiming [Air Quality Research Division, Environment Canada, Toronto (Canada); Zhao, Zhuzi [Key Lab of Aerosol, SKLLQG, Institute of Earth Environment, Chinese Academy of Sciences, Xi' an (China); Dong, Jungang [School of Architecture, Xi' an University of Architecture and Technology, Xi' an 710055 (China); Wang, Linqing [Department of Environmental Sciences and Engineering, Xi' an Jiaotong University, Xi' an (China); Wang, Qiyuan; Li, Guohui; Liu, Suixin [Key Lab of Aerosol, SKLLQG, Institute of Earth Environment, Chinese Academy of Sciences, Xi' an (China); Zhang, Qian [Department of Environmental Sciences and Engineering, Xi' an Jiaotong University, Xi' an (China)

2014-12-01

Surface O{sub 3} was monitored continuously during Aug. 12, 2010 to Jul. 21, 2011 at a high elevation site (3200 m above sea level) in Qinghai Lake area (36°58′37″N, 99°53′56″E) in Northeast Tibetan Plateau, China. Daily average O{sub 3} ranged from 21.8 ppbv to 65.3 ppbv with an annual average of 41.0 ppbv. Seasonal average of O{sub 3} followed a decreasing order of summer > autumn > spring > winter. Diurnal variations of O{sub 3} showed low concentrations during daytime and high concentrations during late night and early morning. An intensive campaign was also conducted during Aug. 13–31, 2010 to investigate correlations between meteorological or chemical conditions and O{sub 3}. It was found that O{sub 3} was poorly correlated with solar radiation due to the insufficient NO{sub x} in the ambient air, thus limiting O{sub 3} formation under strong solar radiation. In contrast, high O{sub 3} levels always coincided with strong winds, suggesting that stratospheric O{sub 3} and long range transport might be the main sources of O{sub 3} in this rural area. Back-trajectory analysis supported this hypothesis and further indicated the transport of air masses from northwest, northeast and southeast directions. - Highlights: • Surface O{sub 3} was measured in Qinghai Lake area in Northeast Tibetan Plateau, China. • The O{sub 3} chemical formation was under a strong NOx-limited in Qinghai Lake areas. • Stratospheric O{sub 3} and transport might be the main sources of O{sub 3} in this area.

The surface diffusion coefficient for an arbitrarily curved fluid-fluid interface. (I). General expression

Science.gov (United States)

M. C. Sagis, Leonard

2001-03-01

In this paper, we develop a theory for the calculation of the surface diffusion coefficient for an arbitrarily curved fluid-fluid interface. The theory is valid for systems in hydrodynamic equilibrium, with zero mass-averaged velocities in the bulk and interfacial regions. We restrict our attention to systems with isotropic bulk phases, and an interfacial region that is isotropic in the plane parallel to the dividing surface. The dividing surface is assumed to be a simple interface, without memory effects or yield stresses. We derive an expression for the surface diffusion coefficient in terms of two parameters of the interfacial region: the coefficient for plane-parallel diffusion D (AB)aa(ξ) , and the driving force d(B)I||(ξ) . This driving force is the parallel component of the driving force for diffusion in the interfacial region. We derive an expression for this driving force using the entropy balance.

A density functional theory study of the adsorption behaviour of CO{sub 2} on Cu{sub 2}O surfaces

Energy Technology Data Exchange (ETDEWEB)

Mishra, Abhishek Kumar, E-mail: akmishra@ddn.upes.ac.in, E-mail: abhishek.mishra@ucl.ac.uk, E-mail: deleeuwn@cardiff.ac.uk [Research & Development, University of Petroleum and Energy Studies (UPES), Bidholi, Dehradun 248007 (India); Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Roldan, Alberto [School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom); Leeuw, Nora H. de, E-mail: akmishra@ddn.upes.ac.in, E-mail: abhishek.mishra@ucl.ac.uk, E-mail: deleeuwn@cardiff.ac.uk [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom)

2016-07-28

Copper has many applications, particularly in electro-catalysis, where the oxidation state of the copper electrode plays a significant role in the selectivity towards products. Although copper-based materials have clear potential as catalysts in the reduction of CO{sub 2} and conversion to products, fundamental understanding of CO{sub 2} adsorption and activation on different copper oxide surfaces is still limited. We have used DFT+U methodology to study the surface reconstruction of the three most exposed (111), (110), and (001) surfaces of Cu{sub 2}O with different possible terminations. Considering several adsorbate geometries, we have investigated CO{sub 2} adsorption on five different possible terminations and proposed eight different configurations in which CO{sub 2} binds with the surface. Similar to earlier findings, CO{sub 2} binds weakly with the most stable Cu{sub 2}O(111):O surface showing no molecular activation, whereas a number of other surfaces, which can appear in the Cu{sub 2}O particles morphology, show stronger binding as well as activation of the CO{sub 2} molecule. Different CO{sub 2} coverages were studied and a detailed structural and electronic charge analysis is presented. The activation of the CO{sub 2} molecule is characterized by structural transformations and charge transfer between the surface and the CO{sub 2} molecule, which is further confirmed by considerable red shifts in the vibrational frequencies.

Combining surface reanalysis and remote sensing data for monitoring evapotranspiration

Science.gov (United States)

Marshall, M.; Tu, K.; Funk, C.; Michaelsen, J.; Williams, Pat; Williams, C.; Ardö, J.; Marie, B.; Cappelaere, B.; Grandcourt, A.; Nickless, A.; Noubellon, Y.; Scholes, R.; Kutsch, W.

2012-01-01

Climate change is expected to have the greatest impact on the world's poor. In the Sahel, a climatically sensitive region where rain-fed agriculture is the primary livelihood, expected decreases in water supply will increase food insecurity. Studies on climate change and the intensification of the water cycle in sub-Saharan Africa are few. This is due in part to poor calibration of modeled actual evapotranspiration (AET), a key input in continental-scale hydrologic models. In this study, a model driven by dynamic canopy AET was combined with the Global Land Data Assimilation System realization of the NOAH Land Surface Model (GNOAH) wet canopy and soil AET for monitoring purposes in sub-Saharan Africa. The performance of the hybrid model was compared against AET from the GNOAH model and dynamic model using eight eddy flux towers representing major biomes of sub-Saharan Africa. The greatest improvements in model performance are at humid sites with dense vegetation, while performance at semi-arid sites is poor, but better than individual models. The reduction in errors using the hybrid model can be attributed to the integration of a dynamic vegetation component with land surface model estimates, improved model parameterization, and reduction of multiplicative effects of uncertain data.

Luminescent properties of [UO{sub 2}(TFA){sub 2}(DMSO){sub 3}], a promising material for sensing and monitoring the uranyl ion

Energy Technology Data Exchange (ETDEWEB)

Martin-Ramos, Pablo; Silva, Manuela Ramos; Silva, Pedro S. Pereira da [Centro de Fisica da Universidade de Coimbra (CFisUC), Department of Physics, Universidade de Coimbra (Portugal); Costa, Ana L.; Melo, J. Sergio Seixas de [Centro de Quimica de Coimbra, Department of Chemistry, Universidade de Coimbra (Portugal); Pereira, Laura C.J. [Centro de Ciencias e Tecnologias Nucleares, Instituto Superior Tecnico, Universidade de Lisboa, Bobadela LRS (Portugal); Martin-Gil, Jesus, E-mail: pmr@unizar.es [Advanced Materials Laboratory, Escuela Tecnica Superior de Ingenierias Agrarias, University of Valladolid, Palencia (Spain)

2016-03-15

An uranyl complex [UO{sub 2}(TFA){sub 2}(DMSO){sub 3}] (TFA=deprotonated trifluoroacetic acid; DMSO=dimethyl sulfoxide) has been successfully synthesized by reacting UO{sub 2}(CH{sub 3}COO){sub 2} ·H{sub 2} O with one equivalent of (CF{sub 3} CO){sub 2} O and DMSO. The complex has been characterized by single-crystal X-ray diffraction, X-ray powder diffraction, elemental analysis, FTIR spectroscopy, thermal analysis and absorption and emission spectroscopies. The spectroscopic properties of the material make it suitable for its application in the sensing and monitoring of uranyl in the PUREX process. (author)

TiO{sub 2} colloidal nanocrystals surface modification by V{sub 2}O{sub 5} species: Investigation by {sup 47,49}Ti MAS-NMR and H{sub 2}, CO and NO{sub 2} sensing properties

Energy Technology Data Exchange (ETDEWEB)

Epifani, Mauro, E-mail: mauro.epifani@le.imm.cnr.it [Consiglio Nazionale delle Ricerche—Istituto per la Microelettronica e Microsistemi (CNR–IMM), via Monteroni c/o Campus Universitario, I-73100 Lecce (Italy); Comini, Elisabetta [SENSOR Lab, Department of Information Engineering, Brescia University and CNR-INO, via Valotti 9, 25133 Brescia (Italy); Díaz, Raül [Electrochemical Processes Unit, IMDEA Energy Institute, Avda. Ramón de la Sagra 3, 28935 Móstoles (Spain); Force, Carmen [NMR Unit, Centro de Apoyo Tecnológico, Universidad Rey Juan Carlos, c/Tulipán, s/n, 28933 Móstoles (Spain); Siciliano, Pietro [Consiglio Nazionale delle Ricerche—Istituto per la Microelettronica e Microsistemi (CNR–IMM), via Monteroni c/o Campus Universitario, I-73100 Lecce (Italy); Faglia, Guido [SENSOR Lab, Department of Information Engineering, Brescia University and CNR-INO, via Valotti 9, 25133 Brescia (Italy)

2015-10-01

Highlights: • Novel sensing architecture is presented, made by V{sub 2}O{sub 5} modification of TiO{sub 2} surface. • MAS NMR techniques are a powerful tool for studying the influence of the V{sub 2}O{sub 5} layer. • The V{sub 2}O{sub 5} surface deposition enhanced the adsorption properties with respect to pure TiO{sub 2}. - Abstract: TiO{sub 2} and TiO{sub 2}–V{sub 2}O{sub 5} nanocrystals were prepared by coupling sol–gel and solvothermal methods, followed by heat-treatment at 400 °C, after which the mean nanocrystal size was about 5 nm. The materials were characterized by X-ray diffraction, transmission electron microscopy and solid state nuclear magnetic resonance spectroscopy. It was shown that while the TiO{sub 2} phase was always anatase even after heat-treatment at 500 °C, the presence of the vanadium oxide species enhanced the surface re-configuration of the Ti ions. Hence the coordination environment of surface Ti atoms was drastically changed, by formation of further bonds and imposition of a given local geometry. The final hypothesis was that in pure titania surface rearrangement occurs, leading to the new NMR signal, but this modification was favored in the TiO{sub 2}–V{sub 2}O{sub 5} sample, where the Ti surface atoms were forced into the final configurations by the bonding with V atoms through oxygen. The materials heat-treated at 400 °C were used to process chemoresistive sensors, which were tested to hydrogen, CO and NO{sub 2}, as examples of gases with peculiar sensing mechanisms. The results evidenced that the surface deposition of V{sub 2}O{sub 5} onto the anatase TiO{sub 2} nanocrystals was effective in modifying the adsorption properties of the anatase nanocrystals.

Fluid contact monitoring in some western Canadian reefs

International Nuclear Information System (INIS)

Pickel, J.S.; Heslop, A.

1978-01-01

Thirty years have passed since oil was first discovered in reefal reservoirs in the Western Canadian Sedimentary Basin. The early giants such as Redwater, Leduc, and the large Swan Hill pools have been followed in subsequent years by the development of reef pools of declining size, culminating with the discovery of the Keg River reefs of the Rainbow Zama area some 10 years ago. Unfortunately the majority of reef pools are reaching a mature stage in their productive cycle. With this maturity comes an increasing need for the log analyst to diversify his role from merely recognizing hydrocarbons during the discovery process, to the analysis of remaining hydrocarbon distribution within the depleting reservoir. The monitoring of fluid movement has become an integral part of reservoir description. Geologist, log analyst, reservoir and production engineer must work as a coordinated team to explain the often anomalous fluid distributions that occur in the well bore. Oil recovery from the Devonian Leduc age reef at Golden Spike, Alberta has been, until recently, by displacement with a miscible solvent bank. The monitoring of gas--fluid interfaces has been accomplished by the use of pulsed neutron logs in cased holes and the combination of SNP-Density and SNP-Acoustic data in open hole situations. At Judy Creek premature advances of formation water and inefficient reservoir depletion resulted from a highly stratified reefal reservoir. Pulsed neutron logs, used after the recognition of the production problems, have helped define oil-water distributions in the reservoir and led to an improvement in recovery efficiency. Rainbow Devonian Keg River reefs are subjected to gas, miscible and water injection recovery schemes. A pool that has been converted from a primary gas expansion drive to water drive by injection has used the pulsed neutron log to monitor the effectiveness of this change

On-Line Enrichment Monitor for UF{sub 6} Gas Centrifuge Enrichment Plant

Energy Technology Data Exchange (ETDEWEB)

Ianakiev, K. D.; Boyer, B.; Favalli, A.; Goda, J. M.; Hill, T.; Keller, C.; Lombardi, M.; Paffett, M.; MacArthur, D. W.; McCluskey, C.; Moss, C. E.; Parker, R.; Smith, M. K.; Swinhoe, M. T. [Los Alamos National Laboratory, Los Alamos (United States)

2012-06-15

This paper is a continuation of the Advanced Enrichment Monitoring Technology for UF{sub 6} Gas Centrifuge Enrichment Plant (GCEP) work, presented in the 2010 IAEA Safeguards Symposium. Here we will present the system architecture for a planned side-by-side field trial test of passive (186-keV line spectroscopy and pressure-based correction for UF{sub 6} gas density) and active (186-keV line spectroscopy and transmission measurement based correction for UF{sub 6} gas density) enrichment monitoring systems in URENCO's enrichment plant in Capenhurst. Because the pressure and transmission measurements of UF{sub 6} are complementary, additional information on the importance of the presence of light gases and the UF{sub 6} gas temperature can be obtained by cross-correlation between simultaneous measurements of transmission, pressure and 186-keV intensity. We will discuss the calibration issues and performance in the context of accurate, on-line enrichment measurement. It is hoped that a simple and accurate on-line enrichment monitor can be built using the UF{sub 6} gas pressure provided by the Operator, based on online mass spectrometer calibration, assuming a negligible (a small fraction of percent) contribution of wall deposits. Unaccounted-for wall deposits present at the initial calibration will lead to unwanted sensitivity to changes in theUF{sub 6} gas pressure and thus to error in the enrichment results. Because the accumulated deposits in the cascade header pipe have been identified as an issue for Go/No Go measurements with the Cascade Header Enrichment Monitor (CHEM) and Continuous Enrichment Monitor (CEMO), it is important to explore their effect. Therefore we present the expected uncertainty on enrichment measurements obtained by propagating the errors introduced by deposits, gas density, etc. and will discuss the options for a deposit correction during initial calibration of an On-Line Enrichment Monitor (OLEM).

GPS Monitoring of Surface Change During and Following the Fortuitous Occurrence of the M(sub w) = 7.3 Landers Earthquake in our Network

Science.gov (United States)

Miller, M. Meghan

1998-01-01

Accomplishments: (1) Continues GPS monitoring of surface change during and following the fortuitous occurrence of the M(sub w) = 7.3 Landers earthquake in our network, in order to characterize earthquake dynamics and accelerated activity of related faults as far as 100's of kilometers along strike. (2) Integrates the geodetic constraints into consistent kinematic descriptions of the deformation field that can in turn be used to characterize the processes that drive geodynamics, including seismic cycle dynamics. In 1991, we installed and occupied a high precision GPS geodetic network to measure transform-related deformation that is partitioned from the Pacific - North America plate boundary northeastward through the Mojave Desert, via the Eastern California shear zone to the Walker Lane. The onset of the M(sub w) = 7.3 June 28, 1992, Landers, California, earthquake sequence within this network poses unique opportunities for continued monitoring of regional surface deformation related to the culmination of a major seismic cycle, characterization of the dynamic behavior of continental lithosphere during the seismic sequence, and post-seismic transient deformation. During the last year, we have reprocessed all three previous epochs for which JPL fiducial free point positioning products available and are queued for the remaining needed products, completed two field campaigns monitoring approx. 20 sites (October 1995 and September 1996), begun modeling by development of a finite element mesh based on network station locations, and developed manuscripts dealing with both the Landers-related transient deformation at the latitude of Lone Pine and the velocity field of the whole experiment. We are currently deploying a 1997 observation campaign (June 1997). We use GPS geodetic studies to characterize deformation in the Mojave Desert region and related structural domains to the north, and geophysical modeling of lithospheric behavior. The modeling is constrained by our

Influence of semiconductor surface preparation on photoelectric properties of Al-Zn{sub 3}P{sub 2} contacts

Energy Technology Data Exchange (ETDEWEB)

Mirowska, Nella [Institute of Physics, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland)]. E-mail: nella.mirowska@pwr.wroc.pl; Misiewicz, Jan [Institute of Physics, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland)

2006-06-15

The Schottky barriers formed by Al on Zn{sub 3}P{sub 2} p-type crystals have been studied. Three types of crystals (monocrystal, large-grain crystal and polycrystal) were used for device fabrication. The samples were separated in two groups according to the type of structure and the methods of surface preparation. The samples from the first group were different in structure (monocrystal, large-grain crystal and polycrystals) but prepared in the same way. Three polycrystals with differently prepared surfaces were collected in the second group. Two samples from this group were also annealed in open air at 523 K for 24 h. Measurements of photovoltaic effect at room temperature were carried out to test the impact of surface preparation on photoelectric properties of Al-Zn{sub 3}P{sub 2} contacts. Substantial differences in shape and intensity of PV signal were observed depending on whether the surface of semiconductor was mechanically polished, chemically etched or/and heat treated. The height of potential barrier, {phi} {sub B}, and optical transitions in semiconductor were determined. The value of {phi} {sub B} changed from 0.747 to 0.767 eV for unheated samples and from 0.724 to 0.755 eV for the heated ones. The quality of semiconductor surface seems to have an essential influence on spectral characteristics of Al-Zn{sub 3}P{sub 2} junctions, especially in the case of polycrystals. It appeared that thorough preliminary mechanical polishing of crystals surface provides quite good photoelectric properties of Al-Zn{sub 3}P{sub 2} junctions.

Dynamic and rate-dependent yielding behavior of Co{sub 0.9}Ni{sub 0.1} microcluster based magnetorheological fluids

Energy Technology Data Exchange (ETDEWEB)

Arief, Injamamul; Mukhopadhyay, P.K., E-mail: pkm@bose.res.in

2016-01-01

In this paper we performed steady shear and oscillatory magnetorheological (MR) studies in magnetic fluids containing CoNi sub-micron sized clusters of 450 nm in diameter. Such Co-rich nanoclusters were synthesized by conventional homogeneous nucleation without any external surfactant or reducing agent in liquid polyol at elevated temperature. The x-ray diffraction, energy dispersive x-ray analysis, scanning and transmission electron microscopy studies were done for analyzing the sample composition and morphology. Two variants of fluid samples were prepared by dispersing 15 vol% and 20 vol% of CoNi powders in castor oil. Room temperature steady magnetoshear studies indicate viscoplastic behavior with stronger dependence of static yield stress on magnetization than a dipolar coupling that was operational in the dynamic yield stress. Magnetosweep measurements at constant shear rate showed interesting viscous relaxation at high magnetic fields. We also explored dynamical elastic behavior through oscillatory magnetorheological studies under both strain sweep and frequency sweep modes, and showed glass transition like phenomenon occurring in them above critical shear amplitudes. - Highlights: • A typical polymer/surfactant free polyol reduction method was used to synthesize large-scale Co{sub 0.9}Ni{sub 0.1} nanoclusters. • Room temperature rate-dependent magnetorheology of CoNi-nanoclusters based MR fluids revealed viscoplastic behavior. • Magnetic fields were replaced by powder particle magnetization (M) for better yield stress scaling. • In addition to previously reported M{sup 2}-dependence, higher order relations (~M{sup 3}) were also noted for static yield stress. • An interesting viscous relaxation phenomenon occurred at higher magnetic fields.

Monitoring of surface and airborne contamination

Energy Technology Data Exchange (ETDEWEB)

Pradeep Kumar, K S [Bhabha Atomic Research Centre, Bombay (India)

1997-06-01

Indian nuclear energy programme aims at total safety in all activities involved in the entire fuel cycle for the occupational workers, members of the public and the environment as a whole. Routine radiation monitoring with clearly laid out procedures are followed for ensuring the safety of workers and public. Radiation monitoring carried out for the nuclear installations comprises of process monitoring, monitoring of effluent releases and also of the radiation protection monitoring of the individuals, work place and environment. Regulations like banning of smoking and consumption of food and drink etc. reduces the risk of direct ingestion even if inadvertent spread of contamination takes place. Though limit of transportable surface contamination is prescribed, the health physicists always follow a ``clean on swipe`` philosophy which compensates any error in the measurement of surface contamination. In this paper, the following items are contained: Necessity of contamination monitoring, accuracy required in the calibration of surface contamination monitors, methodology for contamination monitoring, air monitoring, guidelines for unrestricted release of scrap materials, and problems in contamination monitoring. (G.K.)

Generation of the J/sub c/, H/sub c/, T/sub c/ surface for commercial superconductor using reduced-state parameters

International Nuclear Information System (INIS)

Green, M.A.

1988-04-01

This report presents a method for calculating the J/sub C/, H/sub C/, T/sub C/ surface for Type II Superconductors. The method requires that one knows T/sub C/ at zero current and field, H/sub c2/ at zero current and temperature, and J/sub c/ at at least one temperature and field. The theory presented in this report agrees with the measured data quite well over virtually the entire J/sub c/, H/sub c/, T/sub c/ surface given the value of J/sub c/ versus H at one or two temperatures. This report presents calculated and measured values of J/sub c/ versus T and B for niobium titanium, niobium zirconium, niobium tin, niobium titanium tin, niobium tantalum tin, vanadium zirconium hafnium, and vanadium gallium. Good agreement of theory with measured data was obtained for commercial niobium titanium and niobium tin. 76 refs., 26 figs., 6 tabs

Surface modified MXene Ti{sub 3}C{sub 2} multilayers by aryl diazonium salts leading to large-scale delamination

Energy Technology Data Exchange (ETDEWEB)

Wang, Hongbing [College of Mechanics and Materials, Hohai University, Nanjing, Jiangsu Province 210098 (China); Department of Mathematics and Physics, Nanjing Institute of Technology, Nanjing, Jiangsu Province 211167 (China); Zhang, Jianfeng, E-mail: jfzhang_sic@163.com [College of Mechanics and Materials, Hohai University, Nanjing, Jiangsu Province 210098 (China); Wu, Yuping; Huang, Huajie; Li, Gaiye; Zhang, Xin; Wang, Zhuyin [College of Mechanics and Materials, Hohai University, Nanjing, Jiangsu Province 210098 (China)

2016-10-30

Highlights: • A novel and simple method to delaminate MXene Ti{sub 3}C{sub 2} multilayers. • Surface modification using aryl diazonium salts induced swelling that conversely weakened the bonds between MXene layers. • The grafting of phenylsulfonic acid groups on MXene surfaces resulted in excellent water dispersibility. - Abstract: Herein we report a simple and facile method to delaminate MXene Ti{sub 3}C{sub 2} multilayers by the assistance of surface modification using aryl diazonium salts. The basic strategy involved the preparation of layered MAX Ti{sub 3}AlC{sub 2} and the exfoliation of Ti{sub 3}AlC{sub 2} into Ti{sub 3}C{sub 2} multilayers, followed by Na{sup +} intercalation and surface modification using sulfanilic acid diazonium salts. The resulting chemically grafted Ti{sub 3}C{sub 2} flakes were characterized by Fourier transform infrared (FT-IR) spectroscopy and X-ray photoelectron spectroscopy (XPS) to confirm the presence of the surface organic species. Ultraviolet-visible spectroscopy revealed that surface-modified MXene Ti{sub 3}C{sub 2} sheets disperse well in water and the solutions obey Lambert–Beer’s law. Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD) were used to demonstrate the morphology and structure of delaminating MXene Ti{sub 3}C{sub 2} flakes. The results indicated that chemical modification for MXene multilayers by aryl diazonium salts induced swelling that conversely weakened the bonds between MX layers, hence leading to large-scale delamination of multilayered MXene Ti{sub 3}C{sub 2}via mild sonication. Advantages of the present approach rely not only on the simplicity and efficiency of the delamination procedure but also on the grafting of aryl groups to MXene surfaces, highly suitable for further applications of the newly discovered two-dimensional materials.

Particles at fluid-fluid interfaces: A new Navier-Stokes-Cahn-Hilliard surface- phase-field-crystal model.

Science.gov (United States)

Aland, Sebastian; Lowengrub, John; Voigt, Axel

2012-10-01

Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid.

Fractal approach to surface roughness of TiO{sub 2}/WO{sub 3} coatings formed by plasma electrolytic oxidation process

Energy Technology Data Exchange (ETDEWEB)

Rožić, L.J., E-mail: ljrozic@nanosys.ihtmbg.ac.rs [University of Belgrade, IChTM-Department of Catalysis and Chemical Engineering, Njegoševa 12, Belgrade (Serbia); Petrović, S.; Radić, N. [University of Belgrade, IChTM-Department of Catalysis and Chemical Engineering, Njegoševa 12, Belgrade (Serbia); Stojadinović, S. [University of Belgrade, Faculty of Physics, Studentski trg 12-16, Belgrade (Serbia); Vasilić, R. [Faculty of Environmental Governance and Corporate Responsibility, Educons University, Vojvode Putnika 87, Sremska Kamenica (Serbia); Stefanov, P. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Sofia 1113 (Bulgaria); Grbić, B. [University of Belgrade, IChTM-Department of Catalysis and Chemical Engineering, Njegoševa 12, Belgrade (Serbia)

2013-07-31

In this study, we have shown that atomic force microscopy is a powerful technique to study the fractal parameters of TiO{sub 2}/WO{sub 3} coatings prepared by plasma electrolytic oxidation (PEO) process. Since the surface roughness of obtained oxide coatings affects their physical properties, an accurate description of roughness parameters is highly desirable. The surface roughness, described by root mean squared and arithmetic average values, is analyzed considering the scans of a series of atomic force micrographs. The results show that the oxide coatings exhibit lower surface roughness in initial stage of PEO process. Also, the surfaces of TiO{sub 2}/WO{sub 3} coatings exhibit fractal behavior. Positive correlation between the fractal dimension and surface roughness of the surfaces of TiO{sub 2}/WO{sub 3} coatings in initial stage of PEO process was found. - Highlights: • TiO{sub 2}/WO{sub 3} coatings were obtained by plasma electrolytic oxidation. • Oxide coatings exhibit lower surface roughness in initial stage of process. • The surfaces of TiO{sub 2}/WO{sub 3} coatings exhibit fractal behavior.

Adsorption of ethanol on V{sub 2}O{sub 5} (010) surface for gas-sensing applications: Ab initio investigation

Energy Technology Data Exchange (ETDEWEB)

Qin, Yuxiang, E-mail: qinyuxiang@tju.edu.cn [School of Electronics and Information Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory for Advanced Ceramics and Machining Technology, Ministry of Education, School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Cui, Mengyang; Ye, Zhenhua [School of Electronics and Information Engineering, Tianjin University, Tianjin 300072 (China)

2016-08-30

Highlights: • Ethanol adsorbed on V{sub 2}O{sub 5} (010) surface was investigated by ab initio calculations. • Ethanol prefers to adsorb on “Hill”-like surface, rather than“Valley”-like region. • Surface O{sub 1(H)} site plays a key role to dominate the ethanol adsorption process. • Sensing mechanism is related with electronic structure and electron redistribution. • Gas sensitivity is reflected by quantitative electron population analysis. - Abstract: The adsorption of ethanol on V{sub 2}O{sub 5} (010) surface was investigated by means of density functional theory (DFT) with a combined generalized gradient approximation (GGA) plus Hubbard U approach to exploit the potential sensing applications. The adsorption configurations were first constructed by considering different orientations of ethanol molecule to V and O sites on the “Hill”- and “Valley”-like regions of corrugated (010) surface. It is found that ethanol molecule can adsorb on whole surface in multiple stable configurations. Nevertheless the molecular adsorption on the “Hill”-like surface is calculated to occur preferentially, and the single coordinated oxygen on “Hill”-like surface (O{sub 1(H)}) acting as the most energetically favorable adsorption site shows the strongest adsorption ability to ethanol molecule. Surface adsorption of ethanol tunes the electronic structure of V{sub 2}O{sub 5} and cause an n-doping effect. As a consequence, the Fermi levels shift toward the conductive bond increasing the charge carrier concentration of electrons in adsorbed V{sub 2}O{sub 5}. The sensitive electronic structure and the multiple stable configurations to ethanol adsorption highlight the high adsorption activity and then the potential of V{sub 2}O{sub 5} (010) surface applied to high sensitive sensor for ethanol vapor detection. Further Mulliken population and Natural bond orbital (NBO) calculations quantify the electron transfer from the adsorbed ethanol to the surface, and

Microbial Monitoring of Surface Water in South Africa: An Overview

Directory of Open Access Journals (Sweden)

Brendan S. Wilhelmi

2012-07-01

Full Text Available Infrastructural problems force South African households to supplement their drinking water consumption from water resources of inadequate microbial quality. Microbial water quality monitoring is currently based on the Colilert^®18 system which leads to rapidly available results. Using Escherichia coli as the indicator microorganism limits the influence of environmental sources on the reported results. The current system allows for understanding of long-term trends of microbial surface water quality and the related public health risks. However, rates of false positive for the Colilert^®18-derived concentrations have been reported to range from 7.4% to 36.4%. At the same time, rates of false negative results vary from 3.5% to 12.5%; and the Colilert medium has been reported to provide for cultivation of only 56.8% of relevant strains. Identification of unknown sources of faecal contamination is not currently feasible. Based on literature review, calibration of the antibiotic-resistance spectra of Escherichia coli or the bifidobacterial tracking ratio should be investigated locally for potential implementation into the existing monitoring system. The current system could be too costly to implement in certain areas of South Africa where the modified H<sub>2sub>S strip test might be used as a surrogate for the Colilert^®18.

Recombination of chlorine atoms on plasma-conditioned stainless steel surfaces in the presence of adsorbed Cl{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Stafford, Luc; Poirier, Jean-Sebastien; Margot, Joelle [Departement de Physique, Universite de Montreal, Montreal, Quebec, H3C 3J7 (Canada); Khare, Rohit; Guha, Joydeep; Donnelly, Vincent M, E-mail: luc.stafford@umontreal.c, E-mail: vmdonnelly@uh.ed [Department of Chemical and Biomolecular Engineering, University of Houston, Houston, TX 77204 (United States)

2009-03-07

We investigated the interactions of atomic and molecular chlorine with plasma-conditioned stainless steel surfaces through both experiments and modelling. The recombination of Cl during adsorption and desorption of Cl{sub 2} was characterized using a rotating-substrate technique in which portions of the cylindrical substrate surface are periodically exposed to an inductively coupled chlorine plasma and then to an Auger electron spectrometer in separate, differentially pumped chambers. After several hours of exposure to the Cl{sub 2} plasma, the stainless steel substrate became coated with a Si-oxychloride-based layer (Fe : Si : O : Cl {approx} 1 : 13 : 13 : 3) due to chlorine adsorption and the erosion of the silica discharge tube. Desorption of Cl{sub 2} from this surface was monitored through measurements of pressure rises in the Auger chamber as a function of substrate rotation frequency. Significant adsorption and desorption of Cl{sub 2} was observed with the plasma off, similar to that observed previously on plasma-conditioned anodized aluminium surfaces, but with much faster desorption rates that are most likely attributable to the smoother and non-porous stainless steel surface morphology. When the plasma was turned on, a much larger pressure rise was observed due to Langmuir-Hinshelwood recombination of Cl atoms. Recombination coefficients, {gamma}{sub Cl}, ranged from 0.004 to 0.03 and increased with Cl-to-Cl{sub 2} number density ratio. This behaviour was observed previously for anodized aluminium surfaces, and was explained by the blocking of Cl recombination sites by adsorbed Cl{sub 2}. Application of this variable recombination coefficient to the modelling of high-density chlorine plasmas gives a much better agreement with measured Cl{sub 2} percent dissociations compared with predictions obtained with a recombination coefficient that is independent of plasma conditions.

Synthesis, characterization, and comparative gas-sensing properties of Fe{sub 2}O{sub 3} prepared from Fe{sub 3}O{sub 4} and Fe{sub 3}O{sub 4}-chitosan

Energy Technology Data Exchange (ETDEWEB)

Cuong, Nguyen Duc [Faculty of Hospitality and Tourism, Hue University, 22 Lam Hoang, Vy Da Ward, Hue City (Viet Nam); College of Sciences, Hue University, 77 Nguyen Hue, Phu Nhuan Ward, Hue City (Viet Nam); International Training Institute for Materials Science (ITIMS), Hanoi University of Science and Technology (HUST), Hanoi (Viet Nam); Hoa, Tran Thai; Khieu, Dinh Quang [College of Sciences, Hue University, 77 Nguyen Hue, Phu Nhuan Ward, Hue City (Viet Nam); Lam, Tran Dai [Institute of Materials Science, Vietnamese Academy of Science and Technology, Hanoi (Viet Nam); Hoa, Nguyen Duc [International Training Institute for Materials Science (ITIMS), Hanoi University of Science and Technology (HUST), Hanoi (Viet Nam); Van Hieu, Nguyen, E-mail: hieu@itims.edu.vn [International Training Institute for Materials Science (ITIMS), Hanoi University of Science and Technology (HUST), Hanoi (Viet Nam)

2012-05-15

Highlights: Black-Right-Pointing-Pointer We have demonstrated a facile method to prepare Fe{sub 3}O{sub 4} nanoparticles and chitosan-coated Fe{sub 3}O{sub 4} nanoparticles. Black-Right-Pointing-Pointer {alpha}-Fe{sub 2}O{sub 3} sensors prepared from those Fe{sub 3}O{sub 4} materials have been investigated and compared. Black-Right-Pointing-Pointer The results show potential application of {alpha}-Fe{sub 2}O{sub 3} for CO sensors in environmental monitoring. - Abstract: In this paper, Fe{sub 3}O{sub 4} and chitosan (CS)-coated Fe{sub 3}O{sub 4} nanoparticles were synthesized via co-precipitation method and subsequent covalent binding of CS onto the surface for functionalization, respectively. Characterization of the crystal structures and morphologies of as-synthesized nanoparticles by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy demonstrated that Fe{sub 3}O{sub 4} had a cubic spinal structure with irregular shapes and average diameters of 10-20 nm. The surface states and magnetic properties of Fe{sub 3}O{sub 4}-CS nanoparticles were characterized by Fourier transform infrared spectra and vibrating sample magnetometry. Results showed that Fe{sub 3}O{sub 4}-CS nanoparticles possessed super-paramagnetic properties, with saturated magnetization up to 60 emu/g. In addition, Fe{sub 3}O{sub 4} and CS-coated Fe{sub 3}O{sub 4} nanoparticles were used in the fabrication of {alpha}-Fe{sub 2}O{sub 3} based gas sensors. Gas sensing measurements revealed that the {alpha}-Fe{sub 2}O{sub 3} gas sensor prepared from Fe{sub 3}O{sub 4}-CS had a better response to H{sub 2}, CO, C{sub 2}H{sub 5}OH, and NH{sub 3} compared with the device prepared from pristine Fe{sub 3}O{sub 4}. Furthermore, the {alpha}-Fe{sub 2}O{sub 3} sensor prepared from Fe{sub 3}O{sub 4}-CS nanoparticles exhibited the highest response to CO among the test gases, suggesting that it has great potential for practical applications in environmental monitoring.

Magnetic Fe{sub 3}O{sub 4}-Au core-shell nanostructures for surface enhanced Raman scattering

Energy Technology Data Exchange (ETDEWEB)

Wheeler, D.A.; Adams, S.A.; Zhang, J.Z. [Department of Chemistry and Biochemistry, University of California, Santa Cruz, Santa Cruz, CA 95064 (United States); Lopez-Luke, T. [Department of Chemistry and Biochemistry, University of California, Santa Cruz, Santa Cruz, CA 95064 (United States); Cento de Investigaciones en Optica, A.P. 1-948 Leon, Gto. 37150 (Mexico); Torres-Castro, A. [Universidad Autonoma de Nuevo Leon, A.P. 126-F, Monterrey, NL, 66450 (Mexico)

2012-11-15

The synthesis, structural and optical characterization, and application of superparamagnetic and water-dispersed Fe{sub 3}O{sub 4}-Au core-shell nanoparticles for surface enhanced Raman scattering (SERS) is reported. The structure of the nanoparticles was determined by scanning transmission electron microscopy (STEM) and high-resolution transmission electron microscopy (HRTEM). STEM images of the Fe{sub 3}O{sub 4}-Au core-shell nanoparticles reveal an average diameter of 120 nm and a high degree of surface roughness. The nanoparticles, which display superparamagnetic properties due to the core Fe{sub 3}O{sub 4} material, exhibit a visible surface plasmon resonance (SPR) peaked at 580 nm due to the outer gold shell. The nanoparticles are used as a substrate for surface enhanced Raman scattering (SERS) with rhodamine 6G (R6G) as a Raman reporter molecule. The SERS enhancement factor is estimated to be on the order of 10{sup 6}, which is {proportional_to} 2 times larger than that of conventional gold nanoparticles (AuNPs) under similar conditions. Significantly, magnetically-induced aggregation of the Fe{sub 3}O{sub 4}-Au core-shell nanoparticles substantially enhanced SERS activity compared to non-magnetically-aggregated Fe{sub 3}O{sub 4}-Au nanoparticles. This is attributed to both increased scattering from the aggregates as well as ''hot spots'' due to more junction sites in the magnetically-induced aggregates. The magnetic properties of the Fe{sub 3}O{sub 4} core, coupled with the optical properties of the Au shell, make the Fe{sub 3}O{sub 4}-Au nanoparticles unique for various potential applications including biological sensing and therapy. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Adsorption and dissociation of H{sub 2}S on Mo{sub 2}C(001) surface-A first-principle study

Energy Technology Data Exchange (ETDEWEB)

Fu, Dianling; Guo, Wenyue, E-mail: wyguo@upc.edu.cn; Liu, Yunjie; Chi, Yuhua

2015-10-01

Highlights: • Adsorption of reactants, intermediates involved was investigated. • The Mulliken charge and partial density of states were analyzed. • The dissociation mechanism was investigated. • The optimal pathway for the dissociation of H{sub 2}S on the Mo{sub 2}C(001) surface was given. - Abstract: The adsorption and decomposition reaction mechanisms of H{sub 2}S on Mo{sub 2}C(001) has been systematically studied using self-consistent periodic density functional theory. Results show that the molecular of H{sub 2}S is adsorbed either on the Mo top site or bridge site. Mulliken population analysis and density of states for H{sub 2}S/Mo-terminated Mo{sub 2}C(001) adsorption system are examined to confirm the adsorption mechanism of H{sub 2}S with the Mo{sub 2}C(001) surface, which can involve the donation of charge from the “s lone pair electrons” that are LUMO orbitals into the surface and the back donation of electrons from the surface into the HOMO orbital. The optimal pathway for the dissociation of H{sub 2}S on the Mo{sub 2}C(001) surface can be H{sub 2}S{sub top} → SH{sub fcc} + H{sub fcc} → S{sub fcc} + H{sub fcc} + H{sub fcc}. The first step is the rate-determining step because it has the smallest rate constant among the possible reactions pathways.

Coupling ground penetrating radar and fluid flow modeling for oilfield monitoring applications

NARCIS (Netherlands)

Miorali, M.; Zhou, F.; Slob, E.C.; Arts, R.

2011-01-01

The recent introduction of smart well technology allows for new geophysical monitoring opportunities. Smart wells, which allow zonal production control, combined with monitoring techniques capable of capturing the arrival of undesired fluids, have the potential to significantly increase the oil

Electron beam induced Hg desorption and the electronic structure of the Hg depleted surface of Hg1/sub -//sub x/Cd/sub x/Te

International Nuclear Information System (INIS)

Shih, C.K.; Friedman, D.J.; Bertness, K.A.; Lindau, I.; Spicer, W.E.; Wilson, J.A.

1986-01-01

Auger electron spectroscopy (AES), x-ray photoemission spectroscopy (XPS), low energy electron diffraction (LEED), and angle-resolved ultraviolet photoemission spectroscopy (ARPES) were used to study the electron beam induced Hg desorption from a cleaved (110)Hg/sub 1-//sub x/Cd/sub x/Te surface and the electronic structure of the Hg depleted surface. Solid state recrystallized Hg/sub 1-//sub x/Cd/sub x/Te single crystals were used. It was found that the electron beam heating dominated the electron beam induced Hg desorption on Hg/sub 1-//sub x/Cd/sub x/Te. At the electron beam energy used, the electron beam heating extended several thousand angstroms deep. However, the Hg depletion saturated after a few monolayers were depleted of Hg atoms. At the initial stage of Hg loss (only 3%), the surface band bends upward (more p type). The ARPES spectrum showed the loss of some E vs k dispersion after 22% Hg atoms were removed from the surface region, and no dispersion was observed after 43% Hg atoms were removed. These results have important implications on the electronic structure of the surfaces and interfaces of which the stoichiometry is altered

Prediction of fluid phase behaviors in a CO{sub 2}-EOR process in Weyburn Field, Saskatchewan, Canada

Energy Technology Data Exchange (ETDEWEB)

Zhao, L.; Law, D.H.S. [Alberta Research Council, Edmonton, AB (Canada); Freitag, N.; Huang, S. [Saskatchewan Research Council, Regina, SK (Canada)

2005-07-01

The mechanisms of enhanced oil recovery (EOR) and carbon dioxide (CO{sub 2}) storage in an oil depleted reservoir are being studied at the International Energy Agency's (IEA) Weyburn CO2 Monitoring and Storage Project in Saskatchewan. One of the objectives of this multi-disciplinary project has been to develop a Pressure-Volume-Temperature (PVT) model for the CO{sub 2}-Weyburn oil system that can be coupled with compositional reservoir models for short- and long-term field-scale reservoir simulations. In order to assess the long term risk of carbon dioxide (CO{sub 2}) injection for the purpose of EOR, it is important to accurately predict the CO{sub 2} distribution in different phases in the reservoir (aqueous, oleic and gaseous). The newly developed seven-component PVT model for Weyburn oil was based on measurements of phase-behavior properties such as oil density, viscosity, gas-oil ratio, saturation pressure and minimum miscibility pressure from oil samples collected from wells in different parts of the reservoir. The Peng-Robinson equation of state was used for the PVT model development and CO{sub 2} solubility in water was described by Henry's Law. Estimations of mineral trapping, ionic trapping and solubility trapping of CO{sub 2} are based on the amount of CO{sub 2} stored in the aqueous phase, but the amount of CO{sub 2} stored in the gaseous phase, which is the most mobile phase of CO{sub 2} in the reservoir, is essential in the estimation of CO{sub 2} leakage. The model was continuously modified as the field process proceeded in order to identify the dynamic change in fluid properties and the effect of contaminants in the injecting CO{sub 2}. The model, coupled with a compositional reservoir model, was used to predict the CO{sub 2} distribution and storage performance in the Weyburn field. 2 refs., 4 tabs., 8 figs.

Monitoring Global Geophysical Fluids by Space Geodesy

Science.gov (United States)

Chao, Benjamin F.; Dehant, V.; Gross, R. S.; Ray, R. D.; Salstein, D. A.; Watkins, M.

1999-01-01

Since its establishment on 1/1/1998 by the International Earth Rotation Service, the Coordinating Center for Monitoring Global Geophysical Fluids (MGGF) and its seven Special Bureaus have engaged in an effort to support and facilitate the understanding of the geophysical fluids in global geodynamics research. Mass transports in the atmosphere-hydrosphere-solid Earth-core system (the "global geophysical fluids") will cause the following geodynamic effects on a broad time scale: (1) variations in the solid Earth's rotation (in length-of-day and polar motion/nutation) via the conservation of angular momentum and effected by torques at the fluid-solid Earth interface; (2) changes in the global gravitational field according to Newton's gravitational law; and (3) motion in the center of mass of the solid Earth relative to that of the whole Earth ("geocenter") via the conservation of linear momentum. These minute signals have become observable by space geodetic techniques, primarily VLBI, SLR, GPS, and DORIS, with ever increasing precision/accuracy and temporal/spatial resolution. Each of the seven Special Bureaus within MGGF is responsible for calculations related to a specific Earth component or aspect -- Atmosphere, Ocean, Hydrology, Ocean Tides, Mantle, Core, and Gravity/Geocenter. Angular momenta and torques, gravitational coefficients, and geocenter shift will be computed for geophysical fluids based on global observational data, and from state-of-the-art models, some of which assimilate such data. The computed quantities, algorithm and data formats are standardized. The results are archived and made available to the scientific research community. This paper reports the status of the MGGF activities and current results.

NASA-VOF2D, 2-D Transient Free Surface Incompressible Fluid Dynamic

International Nuclear Information System (INIS)

Torrey, M.D.

1988-01-01

1 - Description of program or function: NASA-VOF2D is a two- dimensional, transient, free surface incompressible fluid dynamics program. It allows multiple free surfaces with surface tension and wall adhesion forces and has a partial cell treatment which allows curved boundaries and interior obstacles. 2 - Method of solution: NASA-VOF2D simulates incompressible flows with free surfaces using the volume-of-fluid (VOF) algorithm. This technique is based on the use of donor-acceptor differencing to track the free surface across an Eulerian grid. The complete Navier-Stokes equations in primitive variables for an incompressible fluid are solved by finite differences with surface tension and wall adhesion included. Optionally the pressure equation can be solved by a conjugate residual method rather than the successive over-relaxation (SOR) method

Rotating Polygons on a Fluid Surface

DEFF Research Database (Denmark)

Bohr, Tomas; Jansson, Thomas; Haspang, Martin

spontaneously and the surface can take the shape of a rigidly rotating polygon. With water we have observed polygons with up to 6 corners. The rotation speed of the polygons does not coincide with that of the plate, but it is often mode-locked, such that the polygon rotates by one corner for each complete...... and R. Miraghaie, ”Symmetry breaking in free-surface cylinder flows”, J. Fluid Mech., 502, 99 (2004)). The polygons occur at much larger Reynolds numbers, for water around 500.000. Correspondingly, the dependence on viscosity is rather small....

Chemistry of fluids from a natural analogue for a geological CO{sub 2} storage site (Montmiral, France): Lessons for CO{sub 2}-water-rock interaction assessment and monitoring

Energy Technology Data Exchange (ETDEWEB)

Pauwels, Helene [BRGM - Water Division, 3, av Claude Guillemin, 45060 Orleans Cedex (France)], E-mail: h.pauwels@brgm.fr; Gaus, Irina; Le Nindre, Yves Michel [BRGM - Water Division, 3, av Claude Guillemin, 45060 Orleans Cedex (France); Pearce, Jonathan [British Geological Survey, Kingsley Dunham Centre, Keyworth, Nottingham NG125GG (United Kingdom); Czernichowski-Lauriol, Isabelle [BRGM - Water Division, 3, av Claude Guillemin, 45060 Orleans Cedex (France)

2007-12-15

these elements in the brine, which are attributed to CO{sub 2} interactions, illustrate the relevance of monitoring the water quality at future industrial CO{sub 2} storage sites.

Monitoring fluid status at the outpatient level: the need for more precision.

LENUS (Irish Health Repository)

McDonald, Ken

2010-07-01

Accurate determination of fluid status in patients with heart failure is a critical aspect of care of this population. Early detection of emerging fluid overload would allow for prompt intervention, potentially aborting clinical deterioration and avoiding hospitalization. While many strategies are available to determine fluid status of patients, all areas are compromised by less-than-optimal sensitivity and specificity. Recent work on the role of bioimpedance as a means of assessing a patient\\'s fluid status indicates that this parameter may have a role in monitoring patients with heart failure. This article reviews present techniques available for assessment of fluid status and focuses on the additional information provided by bioimpedance assessment.

Monitoring fluid status at the outpatient level: the need for more precision.

LENUS (Irish Health Repository)

McDonald, Ken

2012-02-01

Accurate determination of fluid status in patients with heart failure is a critical aspect of care of this population. Early detection of emerging fluid overload would allow for prompt intervention, potentially aborting clinical deterioration and avoiding hospitalization. While many strategies are available to determine fluid status of patients, all areas are compromised by less-than-optimal sensitivity and specificity. Recent work on the role of bioimpedance as a means of assessing a patient\\'s fluid status indicates that this parameter may have a role in monitoring patients with heart failure. This article reviews present techniques available for assessment of fluid status and focuses on the additional information provided by bioimpedance assessment.

Preparation and tribological properties of surface-modified nano-Y{sub 2}O{sub 3} as additive in liquid paraffin

Energy Technology Data Exchange (ETDEWEB)

Yu Lin, E-mail: gych@gdut.edu.cn [School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou 510006 (China); Zhang Lin; Ye Fei; Sun Ming; Cheng Xiaoling; Diao Guiqiang [School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou 510006 (China)

2012-12-15

Highlights: Black-Right-Pointing-Pointer Nano-Y{sub 2}O{sub 3} was for the first time used as lubricant additive in liquid paraffin. Black-Right-Pointing-Pointer The nano-Y{sub 2}O{sub 3} modified by a coupling-grafting method shows good dispersibility in liquid paraffin. Black-Right-Pointing-Pointer The surface-modified nano-Y{sub 2}O{sub 3} considerably improves the tribological performances of liquid paraffin. - Abstract: Surface-modified nano-Y{sub 2}O{sub 3} was prepared by a coupling-grafting method with vinyl methylerichlorosilane and methyl methacrylate as the coupling agent and grafting agent, respectively. The prepared samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR), transmission electron micrograph (TEM) and thermal gravimetric analysis (TGA). The tribological properties of the surface-modified nano-Y{sub 2}O{sub 3} as additive in liquid paraffin were evaluated with a four-ball tester. The results show that the nano-Y{sub 2}O{sub 3} keeps its original crystalline structure after surface modification, and the modified nano-Y{sub 2}O{sub 3} forms a core-shell structure with an average particle size of 24.5 nm. The maximum non-seizure load (P{sub B} value) and sintered load (P{sub D} value) increase by 25% and 26.9%, respectively, when compared with those of liquid paraffin, and the wear scar diameter (WSD) also decrease by 21% when 0.10% surface-modified nano-Y{sub 2}O{sub 3} was added. The protective inorganic-organic film formed by nano-Y{sub 2}O{sub 3} and organic modifiers plays an important role in the improved tribological properties of liquid paraffin.

Surface texture of single-crystal silicon oxidized under a thin V{sub 2}O{sub 5} layer

Energy Technology Data Exchange (ETDEWEB)

Nikitin, S. E., E-mail: nikitin@mail.ioffe.ru; Verbitskiy, V. N.; Nashchekin, A. V.; Trapeznikova, I. N.; Bobyl, A. V.; Terukova, E. E. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

2017-01-15

The process of surface texturing of single-crystal silicon oxidized under a V{sub 2}O{sub 5} layer is studied. Intense silicon oxidation at the Si–V{sub 2}O{sub 5} interface begins at a temperature of 903 K which is 200 K below than upon silicon thermal oxidation in an oxygen atmosphere. A silicon dioxide layer 30–50 nm thick with SiO{sub 2} inclusions in silicon depth up to 400 nm is formed at the V{sub 2}O{sub 5}–Si interface. The diffusion coefficient of atomic oxygen through the silicon-dioxide layer at 903 K is determined (D ≥ 2 × 10{sup –15} cm{sup 2} s{sup –1}). A model of low-temperature silicon oxidation, based on atomic oxygen diffusion from V{sub 2}O{sub 5} through the SiO{sub 2} layer to silicon, and SiO{sub x} precipitate formation in silicon is proposed. After removing the V{sub 2}O{sub 5} and silicon-dioxide layers, texture is formed on the silicon surface, which intensely scatters light in the wavelength range of 300–550 nm and is important in the texturing of the front and rear surfaces of solar cells.

Atom distribution and interactions in Ag{sub x}Pt{sub 1-x} and Au{sub x}Pt{sub 1-x} surface alloys on Pt(111)

Energy Technology Data Exchange (ETDEWEB)

Roetter, Ralf T.; Bergbreiter, Andreas; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany)

2009-07-01

The atom distributions in Ag{sub x}Pt{sub 1-x}/Pt(111) and Au{sub x}Pt{sub 1-x}/Pt(111) surface alloys were studied by high resolution UHV-STM. These surfaces were prepared by submonolayer Ag (Au) metal deposition on Pt(111), followed by annealing at 900 K or 1000 K, respectively, which in both cases results in surface confined 2D alloys, with equilibrated distribution of the components. Both systems show a tendency towards two-dimensional clustering, which fits well to their known bulk immiscibility. Effective cluster interactions (ECIs) will be derived by a quantitative evaluation of the 2D atom distributions in the surface alloys. By comparing the ECIs for PtAg and PtAu on Pt(111), and considering that Ag and Au have almost similar lattice constants, the results allow conclusion on the physical origin of the tendency for clustering.

Adsorption and dehydrogenation of ammonia at the V{sub 2}O{sub 5}(010) surface: DFT cluster studies

Energy Technology Data Exchange (ETDEWEB)

Gruber, Mathis; Hermann, Klaus [Fritz-Haber-Institut der MPG, Berlin (Germany)

2008-07-01

Transition metal oxide catalysts are widely used for selective oxidation reactions. However, in many cases details of the catalytic reaction mechanisms are still under discussion. One prominent example is the ammoxidation of propylene to acrylonitrile at transition metal oxide surfaces (SOHIO process). This catalytic reaction includes, amongst other steps, the adsorption and dehydrogenation of NH{sub x}, x<4, at the catalyst surface. We have performed theoretical studies on these reaction steps where the catalyst is simulated by a finite section of the V{sub 2}O{sub 5}(010) surface. The calculations use density-functional theory combined with clusters modeling the surface and adsorbate system. Calculations for the clean V{sub 2}O{sub 5}(010) surface show that binding energies of the H atom are always significantly larger than of the NH{sub x} species. Further, the substrate is found to lower corresponding dehydrogenation energies compared with values for the gas phase reaction. However, the lowering is too small to make dehydrogenation likely to happen under ammoxidation reaction conditions. This suggests that surface defects such as oxygen vacancies become important for the reaction. Therefore, the role of oxygen vacancies for the dehydrogenation of NH{sub x} is discussed in detail.

Capillary waves of compressible fluids

International Nuclear Information System (INIS)

Falk, Kerstin; Mecke, Klaus

2011-01-01

The interplay of thermal noise and molecular forces is responsible for surprising features of liquids on sub-micrometer lengths-in particular at interfaces. Not only does the surface tension depend on the size of an applied distortion and nanoscopic thin liquid films dewet faster than would be expected from hydrodynamics, but also the dispersion relation of capillary waves differ at the nanoscale from the familiar macroscopic behavior. Starting with the stochastic Navier-Stokes equation we study the coupling of capillary waves to acoustic surface waves which is possible in compressible fluids. We find propagating 'acoustic-capillary waves' at nanometer wavelengths where in incompressible fluids capillary waves are overdamped.

Chemistry of surface nanostructures in lead precursor-rich PbZr{sub 0.52}Ti{sub 0.48}O{sub 3} sol–gel films

Energy Technology Data Exchange (ETDEWEB)

Gueye, I.; Le Rhun, G.; Gergaud, P.; Renault, O. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Defay, E. [Luxembourg Institute of Science and Technology, Materials Research and Technology Department, 41 Rue du Brill, L-4422 Belvaux (Luxembourg); Barrett, N., E-mail: nick.barrett@cea.fr [SPEC, CEA, CNRS, Université Paris Saclay, F-91191 Gif-sur-Yvette (France)

2016-02-15

Highlights: • We have studied the effect of lead excess on the surface of PZT sol–gel films. • For low lead excess (10%) nanostructured surface phase is observed. • X-ray photoelectron spectroscopy shows that the surface phase is Zr oxide. - Abstract: We present a study of the chemistry of the nanostructured phase at the surface of lead zirconium titanate PbZr{sub 0.52}Ti{sub 0.48}O{sub 3} (PZT) films synthesized by sol–gel method. In sol–gel synthesis, excess lead precursor is used to maintain the target stoichiometry. Surface nanostructures appear at 10% excess whereas 30% excess inhibits their formation. Using the surface-sensitive, quantitative X-ray photoelectron spectroscopy and glancing angle X-ray diffraction we have shown that the chemical composition of the nanostructures is ZrO{sub 1.82−1.89} rather than pyrochlore often described in the literature. The presence of a possibly discontinuous layer of wide band gap ZrO{sub 1.82−1.89} could be of importance in determining the electrical properties of PZT-based metal-insulator-metal heterostructures.

Surface study of platinum decorated graphene towards adsorption of NH{sub 3} and CH{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Rad, Ali Shokuhi, E-mail: a.shokuhi@gmail.com [Department of Chemical Engineering, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of); Pazoki, Hossein; Mohseni, Soheil [Department of Chemical Engineering, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of); Zareyee, Daryoush [Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of); Peyravi, Majid [Faculty of Chemical Engineering, Babol University of Technology, Babol (Iran, Islamic Republic of)

2016-10-01

To distinguish the potential of graphene sensors, there is a need to recognize the interaction between graphene sheet and adsorbing molecules. We used density functional theory (DFT) calculations to study the properties of pristine as well as Pt-decorated graphene sheet upon adsorption of NH{sub 3} and CH{sub 4} on its surface to exploit its potential to be as gas sensors for them. We found much higher adsorption, higher charge transfer, lower intermolecular distance, and higher orbital hybridizing upon adsorption of NH{sub 3} and CH{sub 4} gas molecules on Pt-decorated graphene compared to pristine graphene. Also our calculations reveal that the adsorption energies on Pt-decorated graphene sheet are in order of NH{sub 3} >CH{sub 4} which could be corresponded to the order of their sensitivity on this modified surface. We used orbital analysis including density of states as well as frontier molecular orbital study for all analyte-surface systems to more understanding the kind of interaction (physisorption or chemisorption). Consequently, the Pt-decorated graphene can transform the existence of NH{sub 3} and CH{sub 4} molecules into electrical signal and it may be potentially used as an ideal sensor for detection of NH{sub 3} and CH{sub 4} in ambient situation. - Highlights: • Pt-decorated graphene was investigated as an adsorbent for NH{sub 3} and CH{sub 4}. • Much higher adsorption of NH{sub 3} and CH{sub 4} on Pt-decorated graphene than pristine graphene. • Higher adsorption of NH{sub 3} compared to CH{sub 4} on Pt-decorated graphene. • Pt influences the electronic structure of graphene.

Surface desorption and bulk diffusion models of tritium release from Li{sub 2}TiO{sub 3} and Li{sub 2}ZrO{sub 3} pebbles

Energy Technology Data Exchange (ETDEWEB)

Avila, R.E., E-mail: ravila@cchen.c [Departamento de Materiales Nucleares, Comision Chilena de Energia Nuclear, Cas. 188-D, Santiago (Chile); Pena, L.A.; Jimenez, J.C. [Departamento de Produccion y Servicios, Comision Chilena de Energia Nuclear, Cas. 188-D, Santiago (Chile)

2010-10-30

The release of tritium from Li{sub 2}TiO{sub 3} and Li{sub 2}ZrO{sub 3} pebbles, in batch experiments, is studied by means of temperature programmed desorption. Data reduction focuses on the analysis of the non-oxidized and oxidized tritium components in terms of release limited by diffusion from the bulk of ceramic grains, or by first or second order surface desorption. By analytical and numerical methods the in-furnace tritium release is deconvoluted from the ionization chamber transfer functions, for which a semi-empirical form is established. The release from Li{sub 2}TiO{sub 3} follows second order desorption kinetics, requiring a temperature for a residence time of 1 day (T{sub 1dRes}) of 620 K, and 603 K, of the non-oxidized, and the oxidized components, respectively. The release from Li{sub 2}ZrO{sub 3} appears as limited by either diffusion from the bulk of the ceramic grains, or by first order surface desorption, the first possibility being the more probable. The respective values of T{sub 1dRes} for the non-oxidized component are 661 K, according to the first order surface desorption model, and 735 K within the bulk diffusion limited model.

Surface chemical and electronic properties of In{sub 2}O{sub 3} and In{sub 2}O{sub 3-x} nanoparticles for ozone detection

Energy Technology Data Exchange (ETDEWEB)

Himmerlich, Marcel; Krischok, Stefan [Institut fuer Physik and Institut fuer Mikro- und Nanotechnologien, TU Ilmenau, PF 100565, 98684 Ilmenau (Germany); Wang, Chunyu; Cimalla, Volker; Ambacher, Oliver [Fraunhofer-Institut fuer Angewandte Festkoerperphysik, Tullastr. 72, 79108 Freiburg im Breisgau (Germany)

2012-07-01

The electrical properties of indium oxide nanoparticle films can be tuned by variation of growth temperature as well as rapid thermal annealing, UV-irradiation and ozone-induced oxidation. The high O{sub 3} sensitivity of indium oxide thin films is strongly linked to their structural and electronic properties. Especially, the alteration of the surface electron accumulation plays an important role in the change of the film resistivity upon O{sub 3} interaction and UV-induced regeneration. We analyse the changes of indium oxide surface properties with respect to varying crystallinity using AFM, XPS and UPS. Compared to stoichiometric In{sub 2}O{sub 3} thin films, indium oxide nanoparticles exhibit a high oxygen deficiency and hence a high defect density at the nanoparticle surface. After growth, these defects are saturated by hydrocarbons due to the incomplete decomposition of precursors during low temperature MOCVD. The defects and the changed stoichiometry have impact on the surface band alignment. Upon ozone-induced oxidation and UV photoreduction a reversible change in band bending, surface dipole and O adsorption density is found and will be discussed in context with electron transport characteristics and thermal properties.

Demonstration and Validation of a Portable Raman Sensor for In-Situ Detection and Monitoring of Perchlorate (ClO<sub>4sub>^-)

Energy Technology Data Exchange (ETDEWEB)

Hatzinger, Paul B. [Shaw Environmental, Inc., Lawrenceville, NJ (United States); Eres, Gyula [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Gu, Baohua [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jubb, Aaron M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2017-03-01

Costs for environmental analysis and monitoring are increasing at a rapid rate and represent a significant percentage of the total and future remedial expenses at many U.S. Department of Defense (DoD) contaminated sites. It has been reported that about 30 to 40% of the remediation budget is usually spent on long-term monitoring (LTM), of which a large percentage represents laboratory analytical costs. Energetics such as perchlorate (ClO<sub>4sub>^-) are among the most frequently detected contaminants in groundwater and surface water at or near military installations due to their persistence and mobility. Currently, the standard protocol entails collecting samples in the field, packaging them, and shipping them overnight to a designated laboratory for analysis. This process requires significant sample preparation and handling, and analytical results may not be available for several days to weeks. In this project, we developed and demonstrated a portable Raman sensor based on surface enhanced Raman scattering (SERS) technology to detect ClO<sub>4sub>^- in contaminated water. We summarize major accomplishments as follows: • A SERS sensor based on elevated gold (Au) nano-ellipse dimer architectures was designed and developed for ClO<sub>4sub>^- with a detection limit of ~10^-6 M (or 100 μg/L); The performance of these sensors was evaluated and optimized through variation of their geometric characteristics (i.e., dimer aspect ratio, dimer separation, etc.). • Large-scale commercial production of SERS substrate sensors via nanoimprinting by Nanova Inc. and Nanoimprint lithography (NIL) technology was successfully demonstrated. This is a substantial step forward toward the commercialization of the SERS sensors and may potentially lead to significantly reduced fabrication costs of SERS substrates. • Commercially produced SERS sensors were demonstrated to detect ClO<sub>4sub>^- at levels above 10^-6

Surface characterization of poly(methylmethacrylate) based nanocomposite thin films containing Al{sub 2}O{sub 3} and TiO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Lewis, S., E-mail: Scott.Lewis@Manchester.ac.u [School of Physics and Astronomy, Radio Astronomy Technology Group, University of Manchester, Turing Building, Oxford Rd, Manchester, M13 9PL (United Kingdom); Haynes, V. [School of Physics and Astronomy, Radio Astronomy Technology Group, University of Manchester, Turing Building, Oxford Rd, Manchester, M13 9PL (United Kingdom); Wheeler-Jones, R. [Institute of Advanced Materials and Energy Systems, Cardiff School of Engineering, Queen' s Buildings, The Parade, Cardiff CF24 3AA (United Kingdom); Sly, J. [School of Electrical and Electronic Engineering, Microelectronics and Nanostructures group, The University of Manchester, Sackville St Building, Sackville St, Manchester, M60 1QD (United Kingdom); Perks, R.M. [Institute of Advanced Materials and Energy Systems, Cardiff School of Engineering, Queen' s Buildings, The Parade, Cardiff CF24 3AA (United Kingdom); Piccirillo, L. [School of Physics and Astronomy, Radio Astronomy Technology Group, University of Manchester, Turing Building, Oxford Rd, Manchester, M13 9PL (United Kingdom)

2010-03-01

Poly(methylmethacrylate) (PMMA) based nanocomposite electron beam resists have been demonstrated by spin coating techniques. When TiO{sub 2} and Al{sub 2}O{sub 3} nanoparticles were directly dispersed into the PMMA polymer matrix, the resulting nanocomposites produced poor quality films with surface roughnesses of 322 and 402 nm respectively. To improve the surface of the resists, the oxide nanoparticles were encapsulated in toluene and methanol. Using the zeta potential parameter, it was found that the stabilities of the toluene/oxide nanoparticle suspensions were 7.7 mV and 19.4 mV respectively, meaning that the suspension was not stable. However, when the TiO{sub 2} and Al{sub 2}O{sub 3} nanoparticles were encapsulated in methanol the zeta potential parameter was 31.9 mV and 39.2 mV respectively. Therefore, the nanoparticle suspension was stable. This method improved the surface roughness of PMMA based nanocomposite thin films by a factor of 6.6 and 6.4, when TiO{sub 2} and Al{sub 2}O{sub 3} were suspended in methanol before being dispersed into the PMMA polymer.

Decadal changes in global surface NO

NARCIS (Netherlands)

Miyazaki, Kazuyuki; Eskes, Henk; Sudo, Kengo; Boersma, Folkert; Bowman, Kevin; Kanaya, Yugo

2017-01-01

Global surface emissions of nitrogen oxides (NO<sub>x> ) over a 10-year period (2005-2014) are estimated from an assimilation of multiple satellite data sets: tropospheric NO<sub>2sub> columns from Ozone Monitoring Instrument (OMI), Global Ozone Monitoring Experiment-2 (GOME- 2), and

Apatite layer growth on glassy Zr{sub 48}Cu{sub 36}Al{sub 8}Ag{sub 8} sputtered titanium for potential biomedical applications

Energy Technology Data Exchange (ETDEWEB)

Thanka Rajan, S.; Karthika, M. [Electrochemical Materials Science Division, CSIR-Central Electrochemical Research Institute, Karaikudi 630003 (India); Bendavid, Avi [Plasma Processing & Deposition Team, CSIRO Manufacturing Flagship, LindField, 2070, Sydney (Australia); Subramanian, B., E-mail: subramanianb3@gmail.com [Plasma Processing & Deposition Team, CSIRO Manufacturing Flagship, LindField, 2070, Sydney (Australia); Electrochemical Materials Science Division, CSIR-Central Electrochemical Research Institute, Karaikudi 630003 (India)

2016-04-30

Graphical abstract: - Highlights: • Metallic biomaterials are surface modified by Zr based TFMGs. • A bone-like apatite layer was grown on a Ni-free Zr-based TFMG in vitro. • Apatite layer growth confirmed by XRD and XPS analysis indicates its bioactivity. • Electrochemical response of the TFMGs in SBF possesses good corrosion resistance. - Abstract: The bioactivity of magnetron sputtered thin film metallic glasses (TFMGs) of Zr{sub 48}Cu{sub 36}Al{sub 8}Ag{sub 8} (at.%) on titanium substrates was tested for bio implant applications. The structural and elemental compositions of TFMGs were analyzed by XRD, XPS and EDAX. X-ray diffraction analysis displayed a broad hump around the incident angle of 30–50°, suggesting that the coatings possess a glassy structure. An in situ crystal growth of hydroxyapatite was observed by soaking the sputtered specimen in simulated body fluid (SBF). The nucleation and growth of a calcium phosphate (Ca–P) bone-like hydroxyapatite on Zr{sub 48}Cu{sub 36}Al{sub 8}Ag{sub 8} (at.%) TFMG from SBF was investigated by using XRD, AFM and SEM. The presence of calcium and phosphorus elements was confirmed by EDAX and XPS. In vitro electrochemical corrosion studies indicated that the Zr-based TFMG coating sustain in the stimulated body-fluid (SBF), exhibiting superior corrosion resistance with a lower corrosion penetration rate and electrochemical stability than the bare crystalline titanium substrate.

In-Situ MVA of CO<sub>2 sub>Sequestration Using Smart Field Technology

Energy Technology Data Exchange (ETDEWEB)

Mohaghegh, Shahab D. [West Virginia Univ. Research Corporation, Morgantown, WV (United States)

2014-09-01

Capability of underground carbon dioxide storage to confine and sustain injected CO<sub>2 sub> for a long period of time is the main concern for geologic CO<sub>2 sub> sequestration. If a leakage from a geological CO<sub>2 sub> sequestration site occurs, it is crucial to find the approximate amount and the location of the leak, in a timely manner, in order to implement proper remediation activities. An overwhelming majority of research and development for storage site monitoring has been concentrated on atmospheric, surface or near surface monitoring of the sequestered CO<sub>2 sub>. This study aims to monitor the integrity of CO<sub>2 sub>storage at the reservoir level. This work proposes developing in-situ CO<sub>2 sub> Monitoring and Verification technology based on the implementation of Permanent Down-hole Gauges (PDG) or “Smart Wells” along with Artificial Intelligence and Data Mining (AI&DM). The technology attempts to identify the characteristics of the CO<sub>2 sub> leakage by de-convolving the pressure signals collected from Permanent Down-hole Gauges (PDG). Citronelle field, a saline aquifer reservoir, located in the U.S. was considered as the basis for this study. A reservoir simulation model for CO<sub>2 sub> sequestration in the Citronelle field was developed and history matched. PDGs were installed, and therefore were considered in the numerical model, at the injection well and an observation well. Upon completion of the history matching process, high frequency pressure data from PDGs were generated using the history matched numerical model using different CO<sub>2 sub>leakage scenarios. Since pressure signal behaviors were too complicated to de-convolute using any existing mathematical formulations, a Machine Learning-based technology was introduced for this purpose. An Intelligent Leakage Detection System (ILDS) was developed as the result of this effort using the machine learning and pattern recognition technologies. The ILDS

On Line Enrichment Monitor (OLEM) UF<sub>6sub> Tests for 1.5" Sch40 SS Pipe, Revision 1

Energy Technology Data Exchange (ETDEWEB)

March-Leuba, José A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Garner, Jim [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Younkin, Jim [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Simmons, Darrell W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2016-01-01

As global uranium enrichment capacity under international safeguards expands, the International Atomic Energy Agency (IAEA) is challenged to develop effective safeguards approaches at gaseous centrifuge enrichment plants while working within budgetary constraints. The “Model Safeguards Approach for Gas Centrifuge Enrichment Plants” (GCEPs) developed by the IAEA Division of Concepts and Planning in June 2006, defines the three primary Safeguards objectives to be the timely detection of: 1) diversion of significant quantities of natural (NU), depleted (DU) or low-enriched uranium (LEU) from declared plant flow, 2) facility misuse to produce undeclared LEU product from undeclared feed, and 3) facility misuse to produce enrichments higher than the declared maximum, in particular, highly enriched uranium (HEU). The ability to continuously and independently (i.e. with a minimum of information from the facility operator) monitor not only the uranium mass balance but also the ²³⁵U mass balance in the facility could help support all three verification objectives described above. Two key capabilities required to achieve an independent and accurate material balance are 1) continuous, unattended monitoring of in-process UF<sub>6sub> and 2) monitoring of cylinders entering and leaving the facility. The continuous monitoring of in-process UF<sub>6sub> would rely on a combination of load-cell monitoring of the cylinders at the feed and withdrawal stations, online monitoring of gas enrichment, and a high-accuracy net weight measurement of the cylinder contents. The Online Enrichment Monitor (OLEM) is the instrument that would continuously measure the time-dependent relative uranium enrichment, E(t), in weight percent ²³⁵U, of the gas filling or being withdrawn from the cylinders. The OLEM design concept combines gamma-ray spectrometry using a collimated NaI(Tl) detector with gas pressure and temperature data to calculate the enrichment of the UF<sub>6

Surface properties and dye loading behavior of Zn{sub 2}SnO{sub 4} nanoparticles hydrothermally synthesized using different mineralizers

Energy Technology Data Exchange (ETDEWEB)

Annamalai, Alagappan; Eo, Yang Dam [Department of Advanced Technology Fusion, Konkuk University, 1 Hwayang-dong, Kwangjin-gu, Seoul 143-701 (Korea, Republic of); Im, Chan [Department of Chemistry, Konkuk University, 1 Hwayang-dong, Kwangjin-gu, Seoul 143-701 (Korea, Republic of); Lee, Man-Jong, E-mail: leemtx@konkuk.ac.kr [Department of Advanced Technology Fusion, Konkuk University, 1 Hwayang-dong, Kwangjin-gu, Seoul 143-701 (Korea, Republic of)

2011-10-15

We present for the first time the influence of different mineralizers on the isoelectric point (IEP) of zinc stannate (Zn{sub 2}SnO{sub 4}) nanoparticles hydrothermally prepared using three different mineralizers, viz., Na{sub 2}CO{sub 3}, KOH and tert-butyl amine, and the effect of the IEPs on the dye loading behavior of Zn{sub 2}SnO{sub 4} based photoelectrodes in dye sensitized solar cells (DSSCs). To produce highly crystalline, uniform sized Zn{sub 2}SnO{sub 4} nanoparticles, hydrothermal processing parameters, such as reaction temperature, time, and the mineralizers used have been critically adjusted. The structural and morphological features of the as-synthesized Zn{sub 2}SnO{sub 4} nanoparticles have been observed using both scanning and transmission electron microscopy. For the surface state characterization of shape- and size-controlled Zn{sub 2}SnO{sub 4} nanoparticles, the IEPs of Zn{sub 2}SnO{sub 4} surfaces were determined through zeta potential measurements. The IEPs were found to be 5.7, 7.4 and 8.1 for Zn{sub 2}SnO{sub 4} nanoparticles formed using Na{sub 2}CO{sub 3}, KOH and tert-butyl amine, respectively, suggesting that the surface properties of Zn{sub 2}SnO{sub 4} nanoparticles can be manipulated through the choice of the mineralizers used during the hydrothermal reaction. The amount of N719 dye loading on the surfaces of Zn{sub 2}SnO{sub 4} electrodes having different IEPs was also evaluated. It was revealed that the higher the IEP, the higher the dye loading amount, which means that the IEP mainly affects the dye loading at the dye-metal oxide interface. - Highlights: {yields} The effect of various mineralizers on the isoelectric point of Zn{sub 2}SnO{sub 4} was discussed. {yields} The IEP of Zn{sub 2}SnO{sub 4} can be modified by the choice of mineralizer. {yields} Change in IEP affects the surface properties and the morphology of Zn{sub 2}SnO{sub 4} particles. {yields} Modified surface affects the N719 dye loading behaviour of the Zn{sub 2

E-PERM alpha surface monitor

International Nuclear Information System (INIS)

Fricke, V.

1999-01-01

Innovative Technology Summary Reports are designed to provide potential users with the information they need to quickly determine if a technology would apply to a particular environmental management problem. They are also designed for readers who may recommend that a technology be considered by prospective users. Each report describes a technology, system, or process that has been developed and tested with funding from DOE's Office of Science and Technology (OST). The E-PERMreg s ign Alpha Surface Monitor is an integrating electret ion chamber innovative technology used to measure alpha radiation on surfaces of materials. The technology is best used on surfaces with low contamination levels such as areas with potential for free release, but can also be used in areas with higher levels of contamination. Measurement accuracy and production of the E-PERM reg s ign Alpha Surface Monitor compared favorably with the baseline technology. The innovative technology cost is approximately 28% higher than the baseline with an average unit cost per reading costing %6.04 vs. $4.36; however, the flexibility of the E-PERMreg s ign Alpha Surface Monitor may offer advantages in ALARA, reduction of operator error, waste minimization, and measurement accuracy

Improvement of the overall performances of LiMn{sub 2}O{sub 4} via surface-modification by polypyrrole

Energy Technology Data Exchange (ETDEWEB)

Wang, Ting; Wang, Wan [Department of Advanced Materials, College of Materials Science and Engineering, Sichuan University, Chengdu, 610065 (China); Zhu, Ding [Institute of New Energy and Low-carbon Technology, Sichuan University, Chengdu, 610065 (China); Huang, Liwu, E-mail: liwuhuang@scu.edu.cn [Department of Advanced Materials, College of Materials Science and Engineering, Sichuan University, Chengdu, 610065 (China); Chen, Yungui, E-mail: ygchen60@aliyun.com [Department of Advanced Materials, College of Materials Science and Engineering, Sichuan University, Chengdu, 610065 (China)

2015-11-15

Graphical abstract: Polypyrrole(PPy) film has improved the rate performance of LiMn{sub 2}O{sub 4} efficiently due to its excellent conductivity. PPy@LiMn{sub 2}O{sub 4} could provide more energy under the higher power than pristine LMO. - Highlights: • The PPy layer on the surface of LMO particles hasn’t been studied in LiMn{sub 2}O{sub 4} so far. • The solvent in the synthesis process of PPy@LMO is absolute ethyl alcohol. • The differences of surface-modification between the PPy and PI for LMO. • The analyses of rate performances are through specific power. - Abstract: Polypyrrole (PPy) is an excellent conductive polymer and the study on its utilization in the surface modification of the LiMn{sub 2}O{sub 4} (LMO) is few. In this work, the structure, morphology and electrochemical performance of surface-modified LiMn{sub 2}O{sub 4} composites with PPy and polyimides (PI) were discussed. The crystal structure, chemical bonds and morphology were characterized through X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM), respectively. Moreover, the specific power and cycling performance were tested at room and high (55 °C) temperature. The PPy@LMO (surface-modified LMO composites with PPy) shows better performances than the pristine LMO. The addition of PPy not only weakens the corrosion caused by electrolyte, but also improves the discharge capacity at higher rates. The charge transfer resistance of the PPy@LMO is much lower than that of the pristine LMO after cycling.

Surface decoration with MnO{sub 2} nanoplatelets on graphene/TiO{sub 2} (B) hybrids for rechargeable lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Li, Xinlu, E-mail: lixinlu@cqu.edu.cn; Zhang, Yonglai; Zhong, Qineng; Li, Tongtao; Li, Hongyi; Huang, Jiamu

2014-09-15

Graphical abstract: - Highlights: • The surface of graphene/TiO{sub 2} (B) hybrids is decorated by ultrathin MnO{sub 2} nanoplatelets. • MnO{sub 2}@graphene/TiO{sub 2} (B) composites exhibit high specific surface area of 283.9 m{sup 2} g{sup −1}. • The reversible capacity of graphene/TiO{sub 2} (B) hybrids is greatly improved by surface decoration with low content of MnO{sub 2}. - Abstract: Hierarchically ultrathin MnO{sub 2} nanoplatelets are decorated on the surface of graphene-based TiO{sub 2} (B) hybrids by a facile water-bath reaction to fabricate MnO{sub 2}@graphene/TiO{sub 2} (B) composites. The multi-component composites show high specific surface area of 283.9 m{sup 2} g{sup −1}, facilitating the electrochemical reactions with solvented lithium ions in the enlarged interface area. The reversible capacity of the composites remains 243 mA h g{sup −1} after 150 cycles, with capacity retention of 83.5%. In comparison with graphene/TiO{sub 2} (B) hybrids, the MnO{sub 2}@graphene/TiO{sub 2} (B) composites perform better rate capability, suggesting that surface decoration with MnO{sub 2} nanoplatelets can be a promising strategy to enhance the electrochemical performance of anode materials for lithium ion batteries.

A New Method to Simulate Free Surface Flows for Viscoelastic Fluid

Directory of Open Access Journals (Sweden)

Yu Cao

2015-01-01

Full Text Available Free surface flows arise in a variety of engineering applications. To predict the dynamic characteristics of such problems, specific numerical methods are required to accurately capture the shape of free surface. This paper proposed a new method which combined the Arbitrary Lagrangian-Eulerian (ALE technique with the Finite Volume Method (FVM to simulate the time-dependent viscoelastic free surface flows. Based on an open source CFD toolbox called OpenFOAM, we designed an ALE-FVM free surface simulation platform. In the meantime, the die-swell flow had been investigated with our proposed platform to make a further analysis of free surface phenomenon. The results validated the correctness and effectiveness of the proposed method for free surface simulation in both Newtonian fluid and viscoelastic fluid.

Palladium mixed-metal surface-modified AB<sub>5sub>-type intermetallides enhance hydrogen sorption kinetics

Directory of Open Access Journals (Sweden)

Roman V. Denys

2010-09-01

Full Text Available Surface engineering approaches were adopted in the preparation of advanced hydrogen sorption materials, based on ‘low-temperature’, AB<sub>5sub>-type intermetallides. The approaches investigated included micro-encapsulation with palladium and mixed-metal mantles using electroless plating. The influence of micro-encapsulation on the surface morphology and kinetics of hydrogen charging were investigated. It was found that palladium-nickel (Pd-Ni co-deposition by electroless plating significantly improved the kinetics of hydrogen charging of the AB<sub>5sub>-type intermetallides at low hydrogen pressure and temperature, after long-term pre-exposure to air. The improvement in the kinetics of hydrogen charging was credited to a synergistic effect between the palladium and nickel atoms in the catalytic mantle and the formation of an ‘interfacial bridge’ for hydrogen diffusion by the nickel atoms in the deposited layer. The developed surface-modified materials may find application in highly selective hydrogen extraction, purification, and storage from impure hydrogen feeds.

Physics and seismic modeling for monitoring CO{sub 2} storage

Energy Technology Data Exchange (ETDEWEB)

Jose M. Carcione; Stefano Picotti; Davide Gei; Giuliana Rossi [Istituto Nazionale di Oceanografia e di Geofisica Sperimentale (OGS), Trieste (Italy)

2006-01-15

The authors present a new petro-elastical and numerical-simulation methodology to compute synthetic seismograms for reservoirs subject to CO{sub 2} sequestration. The petro-elastical equations model the seismic properties of reservoir rocks saturated with CO{sub 2}, methane, oil and brine. The gas properties are obtained from the van der Waals equation taking into account the absorption of gas by oil and brine, as a function of the in situ pore pressure and temperature. The dry-rock bulk and shear moduli can be obtained either by calibration from real data or by using rock-physics models based on the Hertz-Mindlin and Hashin-Shtrikman theories. Mesoscopic attenuation due to fluids effects is quantified by using White's model of patchy saturation, and the wet-rock velocities are calculated with Gassmann equations by using an effective fluid modulus to describe the velocities predicted by White's model. The simulations are performed with a poro-viscoelastic modeling code based on Biot's theory, where viscoelasticity is described by generalizing the solid/fluid coupling modulus to a relaxation function. Using the pseudo-spectral method, which allows general material variability, a complete and accurate characterization of the reservoir can be obtained. A simulation, that considers the Utsira sand of the North Sea, illustrates the methodology.

Study on adsorption of O{sub 2} on LaFe{sub 1-x}Mg{sub x}O{sub 3} (0 1 0) surface by density function theory calculation

Energy Technology Data Exchange (ETDEWEB)

Liu, Xing, E-mail: liuxing0108@mail.sdu.edu.cn [Civil Engineer Department, Qingdao Technological University (Linyi), Easter Outer Ring Road 1, Linyi, 273400 (China); Cheng, Bin [Civil Engineer Department, Qingdao Technological University (Linyi), Easter Outer Ring Road 1, Linyi, 273400 (China); Hu, Jifan; Qin, Hongwei [State Key Laboratory of Crystal Material, Department of Physics, Shandong University, Hongjialou 5, Jinan, 250100 (China)

2012-09-01

Highlights: Black-Right-Pointing-Pointer Mg-doping can change the electronic properties of LaFeO{sub 3} (0 1 0) surface by decreasing the band gap. Black-Right-Pointing-Pointer The position and content of Mg-doping can both affect the ability to adsorb O{sub 2}. Black-Right-Pointing-Pointer The strong hybridization between O{sub 2} p and Fe d orbital is the origin of binding mechanism. - Abstract: The adsorption of O{sub 2} on the clean and Mg doped LaFeO{sub 3} (0 1 0) surface has been investigated using the density functional theory (DFT) method. Calculation results show that Mg-doping can change the electronic properties of LaFeO{sub 3} (0 1 0) surface by decreasing the band gap. When Mg ions were not on the first layer of the surface, with increasing Mg content the adsorption of O{sub 2} was enhanced. When Mg ions were on the first layer, the adsorption of O{sub 2} was weakened with the increase of Mg content. The analysis results of the DOS indicated that the Mg ion and adsorbed O{sub 2} had no strong hybridization, and the bonding mechanism was originated from the strong hybridization between the O p and Fe d orbital. Referring to all the calculation results, it was found that except for the increase of stability of oxygen adsorption, the Mg doping could not improve the sensitivity to O{sub 2}.

Study of ultrasonic propagation through vortices for acoustic monitoring of high-temperature and turbulent fluid

International Nuclear Information System (INIS)

Massacret, Nicolas; Moysan, Joseph; Ploix, Marie-Aude; Chaouch, Naim; Jeannot, Jean-Philippe

2016-01-01

Ultrasonic monitoring in high temperature fluids with turbulences requires the knowledge of wave propagation in such media and the development of simulation tools. Applications could be the monitoring of sodium-cooled fast reactors. The objectives are mainly acoustic telemetry and thermometry, which involve the propagation of ultrasounds in turbulent and heated sodium flows. We developed a ray-tracing model to simulate the wave propagation and to determine wave deviations and delays due to an inhomogeneous medium. In previous work we demonstrated the sensitivity of ultrasounds to temperature gradients in liquid sodium. To complete that study, we need to investigate the sensitivity of ultrasounds to vortices created in a moving fluid. We designed a specific experimental setup called IKHAR (Instabilities of Kelvin-Helmholtz for Acoustic Research) in order to assess the validity of the ray-tracing model and the potential of ultrasounds for monitoring such fluid. In this experiment, Von Karman instabilities were created in a flow of water. Fluid temperature was homogeneous in our experimental setup. Through a careful choice of the parameters, periodic vortices were generated. The experiment was also simulated using Comsol registered to allow discussion about repeatability. The throughtransmission method was used to measure wave delays due to the vortices. Arrays of transducers were used to measure time of flight variations of several nanoseconds with a high spatial resolution. Results were similar to simulation results. They demonstrate that beam delays due to vortices can be measured and confirm the potential of ultrasounds in monitoring very inhomogeneous fluid media such as liquid sodium used as coolant fluid in nuclear fast reactors.

Supercritical CO{sub 2} fluid radiochromatography system used to purify [{sup 11}C]toluene for PET

Energy Technology Data Exchange (ETDEWEB)

Muller, Ryan D.; Ferrieri, Richard A. E-mail: rferrieri@bnl.gov; Gerasimov, Madina; Garza, Victor

2002-04-01

Abuse of inhalants in today's society has become such a widespread problem among today's adolescents that in many parts of the world their use exceeds that of many other illicit drugs or alcohol. Even so, little is known how such inhalants affect brain function to an extent that can lead to an abuse liability. While methodologies exist for radiolabeling certain inhalants of interest with short-lived positron emitting radioisotopes that would allow their investigation in human subjects using positron emission tomography (PET), the purification methodologies necessary to separate these volatile substances from the organic starting materials have not been developed. We've adapted supercritical fluid technology to this specific PET application by building a preparative-scale supercritical CO{sub 2} fluid radiochromatograph, and applied it to the purification of [{sup 11}C]toluene. We've demonstrated that [{sup 11}C]toluene can be separated from the starting materials using a conventional C{sub 18} HPLC column and pure supercritical CO{sub 2} fluid as the mobile phase operating at 2000 psi and 40 deg. C. We've also shown that the purified radiotracer can be quantitatively captured on Tenax GR, a solid support material, as it exits the supercritical fluid stream, thus allowing for later desorption into a 1.5% cyclodextrin solution that is suitable for human injection, or into a breathing tube for direct inhalation.

Surface and Subsurface Geochemical Monitoring of an EOR-CO2 Field: Buracica, Brazil Monitoring géochimique en surface et sub-surface d’un gisement en production par récupération assistée et injection de CO2 : le champ de Buracica, Brésil

Directory of Open Access Journals (Sweden)

Magnier C.

2012-04-01

Full Text Available This paper presents a surface and subsurface geochemical survey of the Buracica EOR-CO2 field onshore Brazil. We adopted a methodology coupling the stable isotopes of carbon with noble gases to investigate the adequacy of geochemical monitoring to track deep fluid leakage at the surface. Three campaigns of CO2 flux and concentration in soils were performed to understand the CO2 variability across the field. The distribution of the CO2 soil contents between 0.8 and 14% is in great part controlled by the properties of the soil, with a first-order topographic dependency. These results, together with a δ13CCO2 between –15 and –23‰, suggest that the bulk of the soil CO2 flux is biological. The gas injected and produced at numerous wells across the field showed a great spatial and somewhat temporal heterogeneity with respect to molecular, δ13CCO2 and noble gas compositions. This heterogeneity is a consequence of the EOR-induced sweeping of the petroleum fluids by the injected CO2, producing a heterogeneous mixing controlled by the production scheme and the distribution in reservoir permeability. In light of the δ13CCO2 found in the reservoir, the stable isotopic composition of carbon was insufficient to track CO2 leaks at the surface. We demonstrate how noble gases may be powerful leak discriminators, even for CO2 abundances in soils in the bottom range of the biological baseline (~1%. The results presented in this study show the potential of geochemical monitoring techniques, involving stable isotopes and noble gases at the reservoir and soil levels, for tracing CO2 in CCS projects. Le monitoring géochimique du gisement de Buracica, qui produit des hydrocarbures par récupération assistée et injection de dioxyde de carbone, est présenté dans cet article. Une méthodologie permettant de coupler l’utilisation des isotopes stables du carbone et des isotopes des gaz rares pour étudier la faisabilité de traçage d’une fuite de CO2 du r

Optimization of energy and fluence of N{sub 2}{sup +} ions in the conversion of Al{sub 2}O{sub 3} surface into AlN at room temperature

Energy Technology Data Exchange (ETDEWEB)

Kumar, Praveen, E-mail: praiitr@gmail.com [Center for Nanoscience and Nanotechnology, Panjab University, Chandigarh 160014 (India); Devi, Pooja [Central Scientific Instruments Organization, Sector-30 C, Chandigarh 160030 (India); Kumar, Mahesh [Physics of Energy and Harvesting group, National Physical Laboratory, New Delhi 110012 (India); Shivaprasad, S.M. [Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India)

2016-01-15

Graphical abstract: We present a systematic study of energetic N{sub 2}{sup +} ions (0.1–5 keV) interaction with clean c-plane Al{sub 2}O{sub 3} surface in situ in a UHV system equipped with X-ray Photoelectron Spectroscopy at room temperature. Results show that maximum thickness of surface is nitride by 5 keV N{sub 2}{sup +} ion with an optimal fluence of 1.5 × 10{sup 15} ions/cm{sup 2}. This modified surface can be used as a template for low defect III-nitrides growth, with enhanced lattice matching than on bare c-Al{sub 2}O{sub 3}. - Highlights: • A mechanism for the formation of AlN on Al{sub 2}O{sub 3}. • Investigation of optimal energy and fluence for energetic N{sub 2}{sup +} ions. • AlN formation at room temperature on Al{sub 2}O{sub 3}. - Abstract: The work presents a systematic study of energetic N{sub 2}{sup +} ion interaction with the clean Al{sub 2}O{sub 3} surface at room temperature. Energetic N{sub 2}{sup +} ions with energies ranging from 0.1 to 5 keV were bombarded onto the c-plane Al{sub 2}O{sub 3} surface in situ in a UHV system equipped with X-ray Photoelectron Spectroscopy. Survey scans and core level spectra of Al(2p), O(1s), N(1s) were recorded as a function of ion fluence. Survey scans of XPS are used for the compositional analysis, while deconvoluted core level spectra are used to identify the evolution of the chemical bonding. Energetic dependence of N{sub 2}{sup +} ions occupying interstitial and substitutional sites in Al{sub 2}O{sub 3} lattice are probed to follow the surface evolution. Results show that maximum thickness of surface is nitride by 5 keV N{sub 2}{sup +} ion with an optimal fluence of 1.5 × 10{sup 15} ions/cm{sup 2}. This modified surface can be used as a template for low defect III-nitrides growth, with enhanced lattice matching than on bare c-Al{sub 2}O{sub 3}.

Strong and weak adsorption of CO{sub 2} on PuO{sub 2} (1 1 0) surfaces from first principles calculations

Energy Technology Data Exchange (ETDEWEB)

Yu, H.L. [Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907 (China); Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Deng, X.D. [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Li, G.; Lai, X.C. [Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907 (China); Meng, D.Q., E-mail: yuhuilong2002@126.com [Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907 (China)

2014-10-15

Highlights: • The CO{sub 2} adsorption on PuO{sub 2} (1 1 0) surface was studied by GGA + U. • Both weak and strong adsorptions exist between CO{sub 2} and the PuO{sub 2} (1 1 0) surface. • Electrostatic interactions were involved in the weak interactions. • Covalent bonding was developed in the strong adsorptions. - Abstract: The CO{sub 2} adsorption on plutonium dioxide (PuO{sub 2}) (1 1 0) surface was studied using projector-augmented wave (PAW) method based on density-functional theory corrected for onsite Coulombic interactions (GGA + U). It is found that CO{sub 2} has several different adsorption features on PuO{sub 2} (1 1 0) surface. Both weak and strong adsorptions exist between CO{sub 2} and the PuO{sub 2} (1 1 0) surface. Further investigation of partial density of states (PDOS) and charge density difference on two typical absorption sites reveal that electrostatic interactions were involved in the weak interactions, while covalent bonding was developed in the strong adsorptions.

Performance Testing of Cutting Fluids

DEFF Research Database (Denmark)

Belluco, Walter

The importance of cutting fluid performance testing has increased with documentation requirements of new cutting fluid formulations based on more sustainable products, as well as cutting with minimum quantity of lubrication and dry cutting. Two sub-problems have to be solved: i) which machining...... tests feature repeatability, reproducibility and sensitivity to cutting fluids, and ii) to what extent results of one test ensure relevance to a wider set of machining situations. The present work is aimed at assessing the range of validity of the different testing methods, investigating correlation...... within the whole range of operations, materials, cutting fluids, operating conditions, etc. Cutting fluid performance was evaluated in turning, drilling, reaming and tapping, and with respect to tool life, cutting forces, chip formation and product quality (dimensional accuracy and surface integrity...

Phase diagrams of two dimensional Pd{sub x}Ag{sub 1-x}/Pd(111) and Pt{sub x}Ag{sub 1-x}/Pt(111) surface alloys

Energy Technology Data Exchange (ETDEWEB)

Engstfeld, Albert K.; Roetter, Ralf T.; Bergbreiter, Andreas; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University (Germany)

2011-07-01

The distribution of Ag and Pd or Pt in Ag{sub x}Pd{sub 1-x}/Pd(111) and Ag{sub x}Pt{sub 1-x}/Pt(111) surface alloys was studied by high resolution UHV-STM. The alloys were prepared by evaporating Ag on the respective substrate and subsequent annealing to 800 K. From quantitative 2D atom distributions we can show that AgPt tends towards two dimensional clustering and AgPd towards a 'quasi' random distribution, with small deviations for low and high coverages. From effective pair interactions, we are able to calculate the surface mixing energy and determine 2D phase diagrams. Furthermore we will elucidate whether the size mismatch or the differences in the intermetallic bonding are the dominant factor for the respective distribution in the surface alloy.

Pseudomorphic growth mode of Pb on the Al{sub 13}Fe{sub 4}(0 1 0) approximant surface

Energy Technology Data Exchange (ETDEWEB)

Ledieu, J., E-mail: Julian.ledieu@univ-lorraine.fr [Institut Jean Lamour (UMR 7198 CNRS-Université de Lorraine), Parc de Saurupt, CS50840, 54011 Nancy Cedex (France); Weerd, M.-C de [Institut Jean Lamour (UMR 7198 CNRS-Université de Lorraine), Parc de Saurupt, CS50840, 54011 Nancy Cedex (France); Hahne, M.; Gille, P. [Department of Earth and Environmental Sciences, Crystallography Section, Ludwig-Maximilians-Universität München, Theresienstr. 41, D-80333 München (Germany); Fournée, V. [Institut Jean Lamour (UMR 7198 CNRS-Université de Lorraine), Parc de Saurupt, CS50840, 54011 Nancy Cedex (France)

2015-11-30

Highlights: • Pb adsorption has been characterised on the Al{sub 13}Fe{sub 4}(0 1 0) approximant surface. • A pseudomorphic Pb monolayer is formed at 300 K on this highly corrugated template. • The Pb atomic arrangement replicates the motifs observed on the clean surface. • The formation of surface alloys and intermixing can be disregarded. • Efficient energy dissipation of impinging adatoms allows additional layer deposition. - Abstract: We report the adsorption of lead adatoms on the pseudo-10-fold Al{sub 13}Fe{sub 4}(0 1 0) surface using low energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM). For the submonolayer regime, Pb adatoms remain highly mobile across the surface at 300 K. STM analysis indicates the formation of irregularly shaped islands of monoatomic height. The latter do not coalesce with increasing coverage. At 0.95 MLE coverage, the LEED patterns are consistent with a pseudomorphic growth of the adatoms. This is confirmed by STM measurements which reveal local motifs qualitatively similar to those observed on the clean Al{sub 13}Fe{sub 4}(0 1 0) surface, i.e. prior to dosing. Apart from the absence of plasmons, the XPS measurements of Pb 4f and Al 2s core levels are comparable to those observed for the Pb/Al(1 1 1) system.

Protein surface labeling reactivity of N-hydroxysuccinimide esters conjugated to Fe{sub 3}O{sub 4}@SiO{sub 2} magnetic nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Pirani, Parisa; Patil, Ujwal S.; Apsunde, Tushar Dattu; Trudell, Mark L.; Cai, Yang, E-mail: ycai@chnola-research.org; Tarr, Matthew A., E-mail: mtarr@uno.edu [University of New Orleans, Department of Chemistry (United States)

2015-09-15

The N-hydroxysuccinimide (NHS) ester moiety is one of the most widely used amine reactive groups for covalent conjugation of proteins/peptides to other functional targets. In this study, a cleave-analyze approach was developed to quantify NHS ester groups conjugated to silica-coated iron oxide magnetic nanoparticles (Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs). The fluorophore dansylcadaverine was attached to Fe{sub 3}O{sub 4}@SiO{sub 2} magnetic nanoparticles (MNPs) via reaction with NHS ester groups, and then released from the MNPs by cleavage of the disulfide bond in the linker between the fluorophore and the MNPs moiety. The fluorophore released from Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs was fluorometrically measured, and the amount of fluorophore should be equivalent to the quantity of the NHS ester groups on the surface of Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs that participated in the fluorophore conjugation reaction. Another sensitive and semiquantitative fluorescence microscopic test was also developed to confirm the presence of NHS ester groups on the surface of Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs. Surface-conjugated NHS ester group measurements were primarily performed on Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs of 100–150 nm in diameter and also on 20-nm nanoparticles of the same type but prepared by a different method. The efficiency of labeling native proteins by NHS ester-coated Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs was explored in terms of maximizing the number of MNPs conjugated per BSA molecule or maximizing the number of BSA molecules conjugated per each nanoparticle. Maintaining the amount of fresh NHS ester moieties in the labeling reaction system was essential especially when maximizing the number of MNPs conjugated per protein molecule. The methodology demonstrated in this study can serve as a guide in labeling the exposed portions of proteins by bulky multivalent labeling reagents.

Nitrogen isotope ratios in surface and sub-surface soil horizons

International Nuclear Information System (INIS)

Rennie, D.A.; Paul, E.A.

1975-01-01

Nitrogen isotope analysis of surface soils and soil-derived nitrate for selected chernozemic and luvisolic soils showed mean delta 15 N values of 11.7 and 11.3, respectively. Isotope enrichment of the total N reached a maximum in the lower B horizon. Sub-soil parent material samples from the one deep profile included in the study indicated a delta 15 N value (NO 3 -N) of 1/3 that of the Ap horizon, at a depth of 180 cm. The delta 15 N of sub-surface soil horizons containing residual fertilizer N were low (-2.2) compared to the surface horizon (9.9). The data reported from this preliminary survey suggest that the natural variations in 15 N abundance between different soils and horizons of the same soil reflect the cumulative effects of soil genesis and soil management. More detailed knowledge and understanding of biological and other processes which control N isotope concentrations in these soils must be obtained before the data reported can be interpreted. (author)

Annihilation Radiation Gauge for Relative Density and Multiphase Fluid Monitoring

Directory of Open Access Journals (Sweden)

Vidal A.

2014-03-01

Full Text Available The knowledge of the multi-phase flow parameters are important for the petroleum industry, specifically during the transport in pipelines and network related to exploitation’s wells. Crude oil flow is studied by Monte Carlo simulation and experimentally to determine transient liquid phase in a laboratory system. Relative density and fluid phase time variation is monitored employing a fast nuclear data acquisition setup that includes two large volume BaF2 scintillator detectors coupled to an electronic chain and data display in a LabView® environment. Fluid parameters are determined by the difference in count rate of coincidence pulses. The operational characteristics of the equipment indicate that 2 % deviation in the CCR corresponds to a variation, on average, of 20 % in the fraction of liquid of the multiphase fluid.

Numerical Study on Heat Transfer Performance of PCHE With Supercritical CO{sub 2} as Working Fluid

Energy Technology Data Exchange (ETDEWEB)

Jeon, Sang Woo; Ngo, Ich-long; Byon, Chan [Yeungnam Univ., Gyeongsan (Korea, Republic of)

2016-11-15

The printed circuit heat exchanger (PCHE) is regarded as a promising candidate for advanced heat exchangers for the next-generation supercritical CO{sub 2} power generation owing to its high compactness and rigid structure. In this study, an innovative type of PCHE, in which the channel sizes for the heat source fluid and heat sink fluid are different, is considered for analysis. The thermal performance of the PCHE, with supercritical CO{sub 2} as the working fluid, is numerically analyzed. The results have shown that the thermal performance of the PCHE decreases monotonically when the channel size of either the heat source channel or the heat sink channel, because of the decreased flow velocity. On the other hand, the thermal performance of the PCHE is found to be almost independent of the spacing between the channels. In addition, it was found that the channel cross sectional shape has little effect on the thermal performance when the hydraulic diameter of the channel remains constant.

Flow of viscous fluid along an exponentially stretching curved surface

Directory of Open Access Journals (Sweden)

N.F. Okechi

Full Text Available In this paper, we present the boundary layer analysis of flow induced by rapidly stretching curved surface with exponential velocity. The governing boundary value problem is reduced into self-similar form using a new similarity transformation. The resulting equations are solved numerically using shooting and Runge-Kutta methods. The numerical results depicts that the fluid velocity as well as the skin friction coefficient increases with the surface curvature, similar trend is also observed for the pressure. The dimensionless wall shear stress defined for this problem is greater than that of a linearly stretching curved surface, but becomes comparably less for a surface stretching with a power-law velocity. In addition, the result for the plane surface is a special case of this study when the radius of curvature of the surface is sufficiently large. The numerical investigations presented in terms of the graphs are interpreted with the help of underlying physics of the fluid flow and the consequences arising from the curved geometry. Keywords: Boundary layer flow, Curved surface, Exponential stretching, Curvature

Anodized porous titanium coated with Ni-CeO{sub 2} deposits for enhancing surface toughness and wear resistance

Energy Technology Data Exchange (ETDEWEB)

Zhou, Xiaowei, E-mail: zhouxiaowei901@163.com; Ouyang, Chun

2017-05-31

Highlights: • Structural design of anodized nanoporous Ti was introduced for bonding pinholes to achieve a metallurgical bonding interface. • Anodized porous Ti substrate was activated by electroless Ni-P film to be acted as transitional layer to deposit Ni-CeO{sub 2} nanocomposite coatings. • An analytical model was validated for predicting the Ce-rich worn products as a self-lubricant phase for monitoring wear mechanisms. - Abstract: In order to make large improvements of surface toughness and wear resistance for pure titanium (Ti) substrate, anodic titanium oxide (ATO) surface with nanoporous structure was coated with the Ni-CeO{sub 2} nanocomposite coatings. Regarding TiO{sub 2} barrier layer on Ti surface to inhibit its electrochemical activity, pre-treatments were successively processed with anodizing, sensitizing, activating, and then followed by electroless Ni-P film to be acted as an activated layer for electroplating Ni-CeO{sub 2} deposits. The existing Pd atoms around ATO nanopores were expected as the heterogeneous nucleation sites for supporting the growing locations of electroless Ni-P film. The innovative of interface design using porous structure was introduced for bonding pinholes to achieve a metallurgical adhesion interface between Ti substrate and surface coatings. Besides the objectives of this work were to elucidate how effects by the adding CeO{sub 2} nanoparticles on modifying microstructures and wear mechanisms of Ni-CeO{sub 2} nanocomposite coatings. Many efforts of XRD, FE-SEM, TEM and Nanoindentation tests were devoted to comparing different wear behaviors of Ni-CeO{sub 2} coatings relative to pure nickel. Results indicated that uniform-distributed Ti nanopores with an average diameter size of ∼200 nm was achieved using the Phosphate-type anodizing solution at DC 150 V. A worn surface without fatigue cracks was observed for TAO surface coated with Ni-CeO{sub 2} deposits, showing the existing Ce-rich worn products to be acted as a

Tolerance of topological surface state towards adsorbed magnetic moments: Fe on Bi{sub 2}Te{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Scholz, Markus; Marchenko, Dmitry; Sanchez-Barriga, Jaime; Varykhalov, Andrei; Rader, Oliver [Helmholtz-Zentrum fuer Materialien und Energie, Berlin (Germany); Volykhov, Andrei; Yashina, Lada [Moscow State University, Moskau, Russland (Russian Federation)

2011-07-01

Topological surface states on Bi{sub 2}Se{sub 3} and Bi{sub 2}Te{sub 3} are protected by time reversal symmetry. Magnetic fields break time-reversal symmetry, and they have been used in two-dimensional spin quantum-Hall systems to destroy the topological edge states. Another possibility is to introduce magnetic moments. This has been done by substitution of Mn and Fe into the bulk. For Fe a small gap of 44meV was created, however, at very large amounts (12%). In this work, we deposit Fe directly onto the surface where the topological surface state is localized. We show for coverages of 0.25 and 1 ML Fe that the Dirac point remains intact and no gap appears. Core level spectroscopy of Bi and Te states gives insight into the interaction between substrate and adatoms. In addition, extra surface states appear at the Fermi energy which show a large Rashba-type spin-orbit splitting. The orientation of the spin of both, the topological as well as the Rashba-type split surface states is analysed.

Adsorption and diffusion of H and NH{sub x} as key steps of the NH{sub x} dehydrogenation reaction at the V{sub 2}O{sub 5} (010) surface

Energy Technology Data Exchange (ETDEWEB)

Gruber, Mathis; Hermann, Klaus [Fritz-Haber-Institut der MPG, und Sfb 546, Berlin (Germany)

2009-07-01

Various selective oxidation reactions as the selective catalytic reduction (SCR) of NO{sub x} or the ammoxidation of propane/propene to acrylonitrile are processed on vanadium based metal-oxide catalysts in the presence of ammonia. In the reactions the intermediates NH{sub 2}, NH{sub 3}, and NH{sub 4} are involved indicating that the adsorption and dehydrogenation of NH{sub x}, x < 4, are important steps. We have performed theoretical studies of corresponding reaction steps where the catalyst is simulated by a finite section of the V{sub 2}O{sub 5} (010) surface. The calculations apply density-functional theory combined with clusters modeling the adsorbate system. The substrate lowers corresponding dehydrogenation energies considerably compared with values for the gas phase reaction. However, the lowering is too small to make dehydrogenation of NH{sub 3} likely to happen. Our results on the role of oxygen vacancies for the dehydrogenation indicate that such surface defects become important for the reaction. Besides the energetics also the diffusion at the surface influences the reaction. A nudged elastic band (NEB) routine has been implemented to evaluate diffusion paths and barriers. Hydrogen diffusion on the surface will be discussed and additional examples for NH{sub x} diffusion will be shown. Based on these results possible reaction scenarios for the dehydrogenation reaction will be presented.

The effect of surface morphology on the response of Fe{sub 2}O{sub 3}-loaded vanadium oxide nanotubes gas sensor

Energy Technology Data Exchange (ETDEWEB)

Jin Wei [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China); Chen Wen, E-mail: chenw@whut.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China); Li Yue; Zhao Chunxia; Dai Ying [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China)

2011-06-01

The effect of surface morphology on the response of an ethanol sensor based on vanadium nanotubes surface loaded with Fe{sub 2}O{sub 3} nanoparticles (Fe{sub 2}O{sub 3}/VONTs) was investigated in this work. The particle size of Fe{sub 2}O{sub 3} loaded on VONTs was varied by using novel citric acid-assisted hydrothermal method. In the synthesis progress, citric acid was used as a surfactant and chelate agent, which ensured the growth of a uniform Fe{sub 2}O{sub 3} loading on the nanotubes surface. The ethanol sensing properties was then measured for these Fe{sub 2}O{sub 3}/VONTs at 230-300 deg. C. The results showed that the sensor response increased with the particles size and the loading amount of Fe{sub 2}O{sub 3}. It appears that the load of Fe{sub 2}O{sub 3} on the VONTs surface increases the concentration of oxygen vacancies and decreases the concentration of free electrons. The effects of morphology on the sensor resistance were interpreted in terms of the Debye length and the difference in the number of active sites.

Understanding the stability of Fe incorporation within Mn{sub 3}N{sub 2}(0 0 1) surfaces: An ab-initio study

Energy Technology Data Exchange (ETDEWEB)

Guerrero-Sánchez, J., E-mail: guerrero@ifuap.buap.mx [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570, México (Mexico); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California Codigo Postal 22800, México (Mexico); Mandru, Andrada-Oana [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Takeuchi, Noboru [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California Codigo Postal 22800, México (Mexico); Cocoletzi, Gregorio H. [Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570, México (Mexico); Smith, Arthur R. [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States)

2016-02-15

Graphical abstract: - Highlights: • The Fe incorporation into inner layers of the Mn{sub 3}N{sub 2} surfaces is stable in all range of chemical potential. • Displaced Mn atoms forming cluster-like structures induce the stability of incorporated Fe atoms. • Antiferromagnetic alignment in the [0 0 1] direction and in-plane Ferromagnetic Fe–Fe and Fe–Mn alignments are the same as in Mn{sub 3}N{sub 2} bulk structure. • Incorporated Fe layers contribute to the metallic character of these surfaces. - Abstract: We present first principles spin-polarized calculations of the adsorption and incorporation of iron in the Mn{sub 3}N{sub 2}(0 0 1) surfaces. By means of a surface formation energy criterion, it is demonstrated that Fe incorporation is energetically stable for all studied surfaces. An Fe bilayer formation is achieved after Fe atoms displace Mn atoms in the sub-surface N-vacancy layers. An analysis of the magnetic coupling shows an antiferromagnetic alignment along the [0 0 1] direction as in the clean, ideal surfaces. Also, the in-plane magnetic coupling between Fe–Fe and Fe–Mn shows a ferromagnetic tendency, similar to the clean, ideally terminated surfaces. These results clearly indicate that Fe behaves like Mn when adsorbed into the Mn{sub 3}N{sub 2} surface. Density of states calculations of the stable structures show a slight deviation from the antiferromagnetic-like behavior, with the most important contribution around the Fermi level coming from the Fe-d and Mn-d orbitals.

Likelihood of Brine and CO<sub>2sub> Leak Detection using Magnetotellurics and Electrical Resistivity Tomography Methods

Energy Technology Data Exchange (ETDEWEB)

Yang, X. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Buscheck, T. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mansoor, K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Carroll, S. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-09-11

The US DOE National Risk Assessment Partnership (NRAP), funded through the Office of Fossil Energy and NETL, is developing methods to evaluate the effectiveness of monitoring techniques to detect brine and CO<sub>2sub> leakage from legacy wells into underground sources of drinking water (USDW) overlying a CO<sub>2sub> storage reservoir. As part of the NRAP Strategic Monitoring group, we have generated 140 simulations of aquifer impact data based on the Kimberlina site in California’s southern San Joaquin Basin, Kimberlina Rev. 1.1. CO<sub>2sub> buoyancy allows some of the stored CO<sub>2sub> to reach shallower permeable zones and is detectable with surface geophysical sensors. We are using this simulated data set to evaluate effectiveness of electrical resistivity tomography (ERT) and magnetotellurics (MT) for leak detection. The evaluation of additional monitoring methods such as pressure, seismic and gravity is underway through a multi-lab collaboration.

Surface chemistry and catalytic activity of Ni/Al{sub 2}O{sub 3} irradiated with high-energy electron beam

Energy Technology Data Exchange (ETDEWEB)

Jun, Jin [Department of Optometry and Optic Science, Dongshin University, 252 Daeho-Dong, Naju 520-714 (Korea, Republic of)], E-mail: jinjun@dsu.ac.kr; Dhayal, Marshal [Liquid Crystal and Self Assembled Monolayer Section, National Physical Laboratory, Dr. KS Krisnan Marg, New Delhi 120011 (India); Shin, Joong-Hyeok [Department of Environmental Engineering, Dongshin University, 252 Daeho-Dong, Naju 520-714 (Korea, Republic of); Han, Young Hwan [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Getoff, Nikola [Department of Nutrition, Section Radiation Biology, University of Vienna, Althanstr. 14, A-1090 Vienna (Austria)

2008-05-30

The radiation effects induced effects by electron beam (EB) treatment on the catalytic activity of Ni/{gamma}-Al{sub 2}O{sub 3} were studied for the carbon dioxide reforming of methane with different EB energy and absorbed radiation dose. Transmission electron microscope (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) were used to determine the change in structure and surface states of Ni/{gamma}-Al{sub 2}O{sub 3} catalyst before and after the EB treatment. Higher energy EB treatment is useful for increasing the proportion of the active sites (such as Ni{sup 0} and NiAl{sub 2}O{sub 4}-phase) on the surface. The increase of Ni/Al-ratio indicates that the Ni dispersion on the surface increased with the EB-treatment, resulting in an increase of the active sites, which leads to improving the catalytic activity. XPS measurement also showed a decrease of the surface carbon with EB dose. The maximum 20% increase in the conversion of CO{sub 2}/CH{sub 4}-mixture into CO/H{sub 2} gas was observed for the catalyst treated with 2 MeV energy and 600 kGy dose of EB relative to untreated.

Gold Cluster Diffusion Kinetics on Stoichiometric and Reduced Surfaces of Rutile TiO <sub>2sub> (110)

Energy Technology Data Exchange (ETDEWEB)

Goldman, Nir; Browning, Nigel D.

2011-06-16

Gold clusters on rutile TiO<sub>2sub> are known to serve as efficient oxidation catalysts for pollutants and environmental contaminants. However, the mechanism by which highly mobile small clusters migrate and aggregate into larger species relevant to gold’s catalytic activity remains unresolved. We report herein on ab initio simulations of the diffusion of atomic gold clusters up to the trimer on rutile TiO<sub>2sub>(110) surfaces. We show that, on the stoichiometric surface, both the dimer and the trimer can exhibit relatively low surface mobility due to high energetic barriers for diffusion out of their energetic minima coupled with low barriers for the reverse motion. On the reduced surface, these clusters can diffuse relatively quickly between energetic minima within the oxygen vacancy site due to the large degree of vibrational entropy in their transition states. Our computed diffusion times provide a point of comparison for future experiments and will aid in development of models of gold cluster island sintering.

Computational fluid dynamics modeling and analysis of Pd-based membrane module for CO{sub 2} capture from H{sub 2}/CO{sub 2} binary gas mixture

Energy Technology Data Exchange (ETDEWEB)

Shin, Dong-Yoon; Park, Myung-June [Ajou University, Suwon (Korea, Republic of); Hwang, Kyung-Ran; Park, Jong-Soo [Korea Institute of Energy Research, Daejeon (Korea, Republic of)

2015-07-15

A Pd-based membrane module for the capture of CO{sub 2} from a H{sub 2}/CO{sub 2} binary gas mixture was considered, and computational fluid dynamics modeling was used to predict the module performance. Detailed models of momentum and mass balances, including local flux as a function of local linear velocity, satisfactorily described CO{sub 2} fraction in a retentate tube when compared to the experimental data under various feed flow rates. By using the model, several cases having different geometries, including the location and diameter of feed tube and the number and location of the feed and retentate tubes, were considered. Among tested geometries, the case of two feed tubes with each offset by an angle, θ, of 45° from the center line, and a feed tube diameter of 2.45mm showed the increase of the feed flow rate up to 11.80% compared to the reference case while a CO{sub 2} fraction of 90% in the retentate, which was the criterion for effective CO{sub 2} capture in the present study, was guaranteed. This would result in a plausible reduction in capital expenditures for the CO{sub 2} capture process.

Effect of template-induced surface species on electronic structure and photocatalytic activity of g-C{sub 3}N{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Shen, Yu; Guo, Xiaojuan; Bo, Xiangkun; Wang, Yongzheng [Key Lab of Mesoscopic Chemistry MOE, School of Chemistry & Chemical Engineering, Nanjing University, Nanjing 210023 (China); Guo, Xiangke [Key Lab of Mesoscopic Chemistry MOE, School of Chemistry & Chemical Engineering, Nanjing University, Nanjing 210023 (China); Hubei Key Laboratory for Processing and Application of Catalytic Materials, Huanggang Normal University, Huanggang 438000 (China); Xie, Mingjiang, E-mail: xiemingjiang@hotmail.com [Key Lab of Mesoscopic Chemistry MOE, School of Chemistry & Chemical Engineering, Nanjing University, Nanjing 210023 (China); Guo, Xuefeng, E-mail: guoxf@nju.edu.cn [Key Lab of Mesoscopic Chemistry MOE, School of Chemistry & Chemical Engineering, Nanjing University, Nanjing 210023 (China); Hubei Key Laboratory for Processing and Application of Catalytic Materials, Huanggang Normal University, Huanggang 438000 (China)

2017-02-28

Highlights: • The effect of template on the surface chemistry of g-C{sub 3}N{sub 4} were investigated. • Template induces more non-graphitic species (sp{sup 3}−C−C− and −NH{sub x}) on g-C{sub 3}N{sub 4}. • Non-graphitic species influence electronic structure and performance of g-C{sub 3}N{sub 4}. - Abstract: In view of the fact that the photocatalytic activity of graphitic carbon nitride (g-C{sub 3}N{sub 4}) is greatly influenced by its electronic structure, herein, effect of templates induced surface species variation on the electronic structure and photocatalytic activity of the templated g-C{sub 3}N{sub 4} was investigated. By mixing the precursor of cyanamide with different templates (SiO{sub 2}, Al{sub 2}O{sub 3} and template-free) in the preparation of graphitic carbon nitride (g-C{sub 3}N{sub 4}), carbon nitrides with different surface species were obtained. The obtained carbon nitride (g-C{sub 3}N{sub 4}-Si) templated by SiO{sub 2} nanoparticles exhibits enlarged band gap (3.26 eV) and enhanced photo-degradation ability towards Methyl Orange (MO) compared to that of bulk g-C{sub 3}N{sub 4} (2.67 eV) synthesized from direct condensation/carbonization of melamine and Al{sub 2}O{sub 3}-templated g-C{sub 3}N{sub 4}-Al (2.76 eV). Detailed characterizations confirm that the introduction of templates in the synthesis process resulted in more non-graphitic species (sp{sup 3}−C−C− and −NH{sub x}) on the surface of the derived carbon nitrides, exerting remarkable effect on the electronic structure and photocatalytic performance.

Dynamics of optical degradation on LiB{sub 3}O{sub 5}-crystal surfaces during SFG

Energy Technology Data Exchange (ETDEWEB)

Moeller, Stefan; Andresen, Aenne; Imlau, Mirco [Department of Physics, University of Osnabrueck (Germany)

2008-07-01

We have investigated the phenomenon of optical degradation of LiB{sub 3}O{sub 5} single crystal surfaces during sum-frequency generation (SFG) of UV-light ({lambda}=355 nm) by a focused Q-switched Nd:YAG laser (f=20 kHz, {tau}{sub 1064}=10 ns, anti P{sub 1064}=1.5 W). The investigations were performed on timescales >100 h and UV-intensities below the light induced damage threshold of the crystals. The degradations were studied with optical and analytical methods. As a result we found a steady deposition of foreign material on the output crystal surface in the illuminated area. Here, XPS uncovered several foreign elements as Na,S,Si,Ca, C beside B and O depending on the composition of the ambient atmosphere during SFG. The temporal development of the degradation could be observed by measuring the beam profile behind the crystal. The beam divergence increased as a function of the deposition height, which led to a complex intensity profile in the far-field. Further illuminating lead to a catastrophic break-down of the surface and the beam profile. This is due to thermal damage originating from the UV-absorption of the deposited material. Three models for the deposition process are discussed: a) diffusion out of the LiB{sub 3}O{sub 5}-subsurface, b) deposition of atoms of the ambient atmosphere, c) chemical reactions of LiB{sub 3}O{sub 5}, water, and boric acid.

Simultaneous measurement of a fluid flow and the fluid's free surface using PIV

International Nuclear Information System (INIS)

Philip, O.G.; Hassan, Y.A.; Okamoto, K.

1995-01-01

The objective of this investigation is to study the interaction between a fluid flow and its free surface with an improved application of the flow measurement technique, particle image velocimetry (PIV). In this study, improvements in the data acquisition and tracking method of the PIV technique were developed

Surface spins disorder in uncoated and SiO{sub 2} coated maghemite nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Zeb, F. [Nanoscience and Technology Laboratory, International Islamic University, H-10, 44000 Islamabad (Pakistan); Nadeem, K., E-mail: kashif.nadeem@iiu.edu.pk [Nanoscience and Technology Laboratory, International Islamic University, H-10, 44000 Islamabad (Pakistan); Shah, S. Kamran Ali; Kamran, M. [Nanoscience and Technology Laboratory, International Islamic University, H-10, 44000 Islamabad (Pakistan); Gul, I. Hussain [School of Chemical & Materials Engineering, National University of Sciences and Technology (NUST), H-12, 44000 Islamabad, Pakistan (Pakistan); Ali, L. [Materials Research Laboratory, International Islamic University, H-10, 44000 Islamabad (Pakistan)

2017-05-01

We studied the surface spins disorder in uncoated and silica (SiO{sub 2}) coated maghemite (γ-Fe{sub 2}O{sub 3}) nanoparticles using temperature and time dependent magnetization. The average crystallite size for SiO{sub 2} coated and uncoated nanoparticles was about 12 and 29 nm, respectively. Scanning electron microscopy (SEM) showed that the nanoparticles are spherical in shape and well separated. Temperature scans of zero field cooled (ZFC)/field cooled (FC) magnetization measurements showed lower average blocking temperature (T{sub B}) for SiO{sub 2} coated maghemite nanoparticles as compared to uncoated nanoparticles. The saturation magnetization (M{sub s}) of SiO{sub 2} coated maghemite nanoparticles was also lower than the uncoated nanoparticles and is attributed to smaller average crystallite size of SiO{sub 2} coated nanoparticles. For saturation magnetization vs. temperature data, Bloch's law (M(T)= M(0).(1− BT{sup b})) was fitted well for both uncoated and SiO{sub 2} coated nanoparticles and yields: B =3×10{sup −7} K{sup -b}, b=2.22 and B=0.0127 K{sup -b}, b=0.57 for uncoated and SiO{sub 2} coated nanoparticles, respectively. Higher value of B for SiO{sub 2} coated nanoparticles depicts decrease in exchange coupling due to enhanced surface spins disorder (broken surface bonds) as compared to uncoated nanoparticles. The Bloch's exponent b was decreased for SiO{sub 2} coated nanoparticles which is due to their smaller average crystallite size or finite size effects. Furthermore, a sharp increase of coercivity at low temperatures (<25 K) was observed for SiO{sub 2} coated nanoparticles which is also due to contribution of increased surface anisotropy or frozen surface spins in these smaller nanoparticles. The FC magnetic relaxation data was fitted to stretched exponential law which revealed slower magnetic relaxation for SiO{sub 2} coated nanoparticles. All these measurements revealed smaller average crystallite size and enhanced surface

Scanning tunneling microscopy of the atomically smooth (001) surface of vanadium pentoxide V{sub 2}O{sub 5} crystals

Energy Technology Data Exchange (ETDEWEB)

Muslimov, A. E., E-mail: amuslimov@mail.ru; Butashin, A. V.; Kanevsky, V. M. [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Research Centre “Crystallography and Photonics” (Russian Federation)

2017-01-15

The (001) cleavage surface of vanadium pentoxide (V{sub 2}O{sub 5}) crystal has been studied by scanning tunneling spectroscopy (STM). It is shown that the surface is not reconstructed; the STM image allows geometric lattice parameters to be determined with high accuracy. The nanostructure formed on the (001) cleavage surface of crystal consists of atomically smooth steps with a height multiple of unit-cell parameter c = 4.37 Å. The V{sub 2}O{sub 5} crystal cleavages can be used as references in calibration of a scanning tunneling microscope under atmospheric conditions both along the (Ñ…, y) surface and normally to the sample surface (along the z axis). It is found that the terrace surface is not perfectly atomically smooth; its roughness is estimated to be ~0.5 Å. This circumstance may introduce an additional error into the microscope calibration along the z coordinate.

NASA-VOF3D, 3-D Transient, Free Surface, Incompressible Fluid Dynamic

International Nuclear Information System (INIS)

Torrey, M.D.

1992-01-01

1 - Description of program or function: NASA-VOF3D is a three- dimensional, transient, free surface, incompressible fluid dynamics program. It is specifically designed to calculate confined flows in a low gravity environment in which surface physics must be accurately treated. It allows multiple free surfaces with surface tension and wall adhesion and includes a partial cell treatment that allows curved boundaries and internal obstacles. Variable mesh spacing is permitted in all three coordinate directions. Boundary conditions available are rigid free-slip wall, rigid no-slip, wall, continuative, periodic, and specified pressure outflow boundary. 2 - Method of solution: NASA-VOF3D simulates incompressible flows with free surfaces using the volume-of-fluid (VOF) algorithm. This technique is based on the use of donor-acceptor differencing to track the free surface across an Eulerian grid. The free surfaces are treated by introducing a function defined to be unity at any point occupied by the fluid and zero elsewhere. The complete Navier- Stokes equations for an incompressible fluid are solved by finite differences with surface tension effects included. Wall adhesion may be included or neglected as a user option. The pressures (and velocities) are advanced in time throughout the computing mesh by either a conjugate residual method or the successive over-relaxation (SOR) method. The conjugate residual method is vectorized for the Cray and uses a scaled coefficient matrix. 3 - Restrictions on the complexity of the problem: NASA-VOF3D is restricted to cylindrical coordinate representation of the geometry. A three-dimensional wall-adhesion procedure is available only for straight-walled containers

Hybrid HF-DFT comparative study of SrZrO{sub 3} and SrTiO{sub 3}(001) surface properties

Energy Technology Data Exchange (ETDEWEB)

Evarestov, R.A.; Bandura, A.V.; Alexandrov, V.E. [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetskii Prospekt, Stary Petergof, 198504 St. Petersburg (Russian Federation)

2006-10-15

Hybrid HF-DFT LCAO simulations of SrZrO{sub 3} and SrTiO{sub 3}(001) surface properties are performed in a single-slab model framework. The SrZrO{sub 3}(001) surface was studied by an ab initio method for the first time. Three slab models with different surface terminations including up to 8 atomic planes were used for calculation of the various surface characteristics (surface energies, atomic charges, density of electronic states). The dependence of the results on the chosen model and on the kind of d-element is analyzed. The dissimilarity in the surface oxygen atom contributions to the total density of states of two crystals is attributed to the more ionic nature of Zr-O bonds compared to Ti-O bonds. It is found that in the case of SrZrO{sub 3} the electronic density is biased towards the SrO-terminated surface and this surface should be more basic in nature than the SrO surface of SrTiO{sub 3} crystal. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Corrosion penetration monitoring of advanced ceramics in hot aqueous fluids

Directory of Open Access Journals (Sweden)

Klaus G. Nickel

2004-03-01

Full Text Available Advanced ceramics are considered as components in energy related systems, because they are known to be strong, wear and corrosion resistant in many environments, even at temperatures well exceeding 1000 °C. However, the presence of additives or impurities in important ceramics, for example those based on Silicon Nitride (Si3N4 or Al2O3 makes them vulnerable to the corrosion by hot aqueous fluids. The temperatures in this type of corrosion range from several tens of centigrade to hydrothermal conditions above 100 °C. The corrosion processes in such media depend on both pH and temperature and include often partial leaching of the ceramics, which cannot be monitored easily by classical gravimetric or electrochemical methods. Successful corrosion penetration depth monitoring by polarized reflected light optical microscopy (color changes, Micro Raman Spectroscopy (luminescence changes and SEM (porosity changes will be outlined. The corrosion process and its kinetics are monitored best by microanalysis of cross sections, Raman spectroscopy and eluate chemistry changes in addition to mass changes. Direct cross-calibrations between corrosion penetration and mechanical strength is only possible for severe corrosion. The methods outlined should be applicable to any ceramics corrosion process with partial leaching by fluids, melts or slags.

Surface structure and reaction property of CuCl{sub 2}-PdCl{sub 2} bimetallic catalyst in methanol oxycarbonylation: A DFT approach

Energy Technology Data Exchange (ETDEWEB)

Meng, Qingsen [Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Wang, Shengping, E-mail: spwang@tju.edu.cn [Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Shen, Yongli; Yan, Bing [Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Wu, Yuanxin [School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan 430073 (China); Ma, Xinbin [Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China)

2014-02-15

Surface structure of CuCl{sub 2}-PdCl{sub 2} bimetallic catalyst (Wacker-type catalyst) was built employing density functional theory (DFT) calculations, and the reaction mechanism of methanol oxycarbonylation over the CuCl{sub 2}-PdCl{sub 2} surfaces was also investigated. On the CuCl{sub 2}-PdCl{sub 2} surface, the active site for methanol oxidation was confirmed as Cu-Cl-Cu (Pd). Comparing with pure CuCl{sub 2} surface, the introduction of Pd atom causes the electron repopulation on the surface and lowers the energy barrier for methanol oxidation, but the number of the active site decreases with the increasing of Pd doping volume. Agreed with previous experimental results, the Pd site is most favorable for the CO insertion, indicated by the lowest activation barrier for the formation of COOCH{sub 3} on Pd atom. The lowest energy barrier for the formation of DMC appears when COOCH{sub 3} species adsorbed on Pd atom and methoxyl adsorbed on Cu atoms, which is 0.42 eV. Finally, the reconstruction of the unsaturated surface is a spontaneous and exothermic process. Comparing with other surfaces, the rate-limiting step, methanol oxidation, on CuCl{sub 2}-PdCl{sub 2} surface with Pd/Cu = 1:17 has the lowest energy barrier, which is agreed with the experimental observation that PdCl{sub 2}-CuCl{sub 2} catalyst with Pd/Cu = 1:20 has the favorable activity. The adsorbed methoxyl will further lower the activation barrier of methanol oxidation, which is agreed with experimental observation that the Wacker-type catalysts have an induction period in the methanol oxidative carbonylation system.

Monitoring probe for groundwater flow

Science.gov (United States)

Looney, B.B.; Ballard, S.

1994-08-23

A monitoring probe for detecting groundwater migration is disclosed. The monitor features a cylinder made of a permeable membrane carrying an array of electrical conductivity sensors on its outer surface. The cylinder is filled with a fluid that has a conductivity different than the groundwater. The probe is placed in the ground at an area of interest to be monitored. The fluid, typically saltwater, diffuses through the permeable membrane into the groundwater. The flow of groundwater passing around the permeable membrane walls of the cylinder carries the conductive fluid in the same general direction and distorts the conductivity field measured by the sensors. The degree of distortion from top to bottom and around the probe is precisely related to the vertical and horizontal flow rates, respectively. The electrical conductivities measured by the sensors about the outer surface of the probe are analyzed to determine the rate and direction of the groundwater flow. 4 figs.

Decomposition of SnH{sub 4} molecules on metal and metal–oxide surfaces

Energy Technology Data Exchange (ETDEWEB)

Ugur, D. [TNO, Stieltjesweg 1, 2628 CK Delft (Netherlands); Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands); Storm, A.J.; Verberk, R. [TNO, Stieltjesweg 1, 2628 CK Delft (Netherlands); Brouwer, J.C. [Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands); Sloof, W.G., E-mail: w.g.sloof@tudelft.nl [Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands)

2014-01-01

Atomic hydrogen cleaning is a promising method for EUV lithography systems, to recover from surface oxidation and to remove carbon and tin contaminants. Earlier studies showed, however, that tin may redeposit on nearby surfaces due to SnH{sub 4} decomposition. This phenomenon of SnH{sub 4} decomposition during tin cleaning has been quantified for various metallic and metal-oxide surfaces using X-ray photoelectron spectroscopy (XPS). It was observed that the metal oxide surfaces (TiO{sub 2} and ZrO{sub 2}) were significantly less contaminated than metallic surfaces. Tin contamination due to SnH{sub 4} decomposition can thus be reduced or even mitigated by application of a suitable metal-oxide coating.

Interaction of Formaldehyde with the Rutile TiO <sub>2sub> (110) Surface: A Combined Experimental and Theoretical Study

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiaojuan; Zhang, Zhenrong; Yang, Chengwu; Bebensee, Fabian; Heibler, Stefan; Nefedov, Alexei; Tang, Miru; Ge, Qingfeng; Chen, Long; Kay, Bruce D.; Dohnalek, Zdenek; Wang, Yuemin; Woll, Christof

2016-06-16

The adsorption and reaction of formaldehyde (CH<sub>2sub>O) on the oxidized rutile TiO<sub>2sub>(110) surface were studied by temperature programmed desorption (TPD), scanning tunneling microscopy (STM), infrared reflection-absorption spectroscopy (IRRAS) and density functional theory (DFT) calculations. The experimental and theoretical data reveal the presence of various species depending on the temperature and coverage. After formaldehyde adsorption on TiO<sub>2sub>(110) at 65 K, the multilayer CH<sub>2sub>O was detected, which desorbs completely upon heating to 120 K. The isolated CH<sub>2sub>O monomer was identified after submonolayer adsorption at low temperatures (45-65 K), in which CH<sub>2sub>O is bound to the surface Ti5c sites via σ-donation and adopts a tilted geometry. With heating to higher temperatures the CH<sub>2sub>O monomers remain stable up to 70 K and then undergo coupling reactions to form paraformaldehyde (polyoxymethylene, POM) at the Ti<sub>5csub> rows. The POM chain is oriented primarily along the [001] direction in a slightly disordered configuration. POM becomes the predominant species at 120 K and is decomposed releasing CH<sub>2sub>O at about 250 K. In addition, dioxymethylene (DOM) was detected as minority species formed via reaction of Ti<sub>5csub>-bound CH<sub>2sub>O with both neighboring O<sub>2csub> along the [1-10] direction and oxygen adatoms (Oad) at Ti<sub>5csub> sites along [001] on the oxidized TiO<sub>2sub>(110) surface.

Preparation and characterization of Mn-doped Li{sub 0.06}(Na{sub 0.5}K{sub 0.5}){sub 0.94}NbO{sub 3} lead-free piezoelectric ceramics with surface sol-gel coatings

Energy Technology Data Exchange (ETDEWEB)

Yoo, Ae Ri; Lee, Seong Eui; Lee, Hee Chul [Korea Polytechnic University, Shiheung (Korea, Republic of)

2014-08-15

This study investigated the effects of Mn doping and sol-gel surface coating on the structural and the electrical properties of lead-free Li{sub 0.06}(K{sub 0.5}Na{sub 0.5}){sub 0.94}NbO{sub 3}(LNKN) ceramics in disc form for use as eco-friendly piezoelectric devices. The 1-mol% Mn-doped LNKN ceramic showed a relatively high piezoelectric constant owing to its high density in the case of its being annealed at a temperature of 1010 .deg. C. A Mn-doped LNKN sol-gel solution with the same composition as that of the ceramics was spin-coated and sintered on both sides of the ceramic surfaces to acquire improved electrical properties. The sol-gel surface coating could play a decisive role in filling the pores, resulting in flat and stable interfaces between the electrodes and the piezoelectric elements. As a result, the highest piezoelectric constant, d{sub 33}, of 173 pC/N could be obtained for the Mn-doped LNKN ceramics with 420-nm-thick sol-gel surface coatings.

Micro- and nanostructured Al{sub 2}O{sub 3} surfaces for controlled vascular endothelial and smooth muscle cell adhesion and proliferation

Energy Technology Data Exchange (ETDEWEB)

Aktas, Cenk, E-mail: cenk.aktas@inm-gmbh.de [INM - Leibniz Institute for New Materials, CVD/Biosurfaces Division, 66123 Saarbruecken (Germany); Doerrschuck, Eva; Schuh, Cathrin [Clinic of Paediatric Cardiology, Saarland University, Building 9, 66424 Homburg (Germany); Miro, Marina Martinez; Lee, Juseok [INM - Leibniz Institute for New Materials, CVD/Biosurfaces Division, 66123 Saarbruecken (Germany); Puetz, Norbert; Wennemuth, Gunther [Department of Anatomy and Cell Biology, Saarland University, Building 61, 66424 Homburg (Germany); Metzger, Wolfgang; Oberringer, Martin [Department of Trauma-, Hand- and Reconstructive Surgery, Saarland University, Building 57, 66424 Homburg (Germany); Veith, Michael [INM - Leibniz Institute for New Materials, CVD/Biosurfaces Division, 66123 Saarbruecken (Germany); Department of Inorganic Chemistry, University of Saarland, Building C 4 1, 66123 Saarbruecken (Germany); Abdul-Khaliq, Hashim [Clinic of Paediatric Cardiology, Saarland University, Building 9, 66424 Homburg (Germany)

2012-07-01

The effect of the micro- and nanotopography on vascular cell-surface interaction is investigated using nano- and microstructured Al{sub 2}O{sub 3} as model substrate. Two different nanostructured Al{sub 2}O{sub 3} surfaces composed of low density (LD) and high density (HD) nanowires (NWs) were synthesized by chemical vapour deposition (CVD) and commercially available microstructured Al{sub 2}O{sub 3} plates were used for comparison. A clear diverging response of human umbilical vein endothelial cells (HUVEC) and human umbilical vein smooth muscle cells (HUVSMC) was observed on these nano- and microstructured surfaces. LD Al{sub 2}O{sub 3} NWs seem to enhance the proliferation of HUVECs selectively. This selective control of the cell-surface interaction by topography may represent a key issue for the future stent material design. - Highlights: Black-Right-Pointing-Pointer Nanostructured alumina surfaces triggers selective adhesion and proliferation of endothelial cells. Black-Right-Pointing-Pointer Catalyst free synthesis of nanowires. Black-Right-Pointing-Pointer Topography induces selective cell response.

A DFT study of ethanol adsorption and decomposition on α-Al{sub 2}O{sub 3}(0 0 0 1) surface

Energy Technology Data Exchange (ETDEWEB)

Chiang, Hsin-Ni; Nachimuthu, Santhanamoorthi, E-mail: santhanamoorthi@gmail.com; Cheng, Ya-Chin; Damayanti, Nur Pradani; Jiang, Jyh-Chiang, E-mail: jcjiang@mail.ntust.edu.tw

2016-02-15

Graphical abstract: - Highlights: • Ethanol decomposition has been studied over α-Al{sub 2}O{sub 3}(0 0 0 1) surface. • EDD and DOS results confirm the stable adsorption of ethanol on the surface. • DFT calculations favor ethylene formation via C{sub β}−H bond scission. • The formation of acetaldehyde has higher energy barrier. - Abstract: Ethanol adsorption and decomposition on the clean α-Al{sub 2}O{sub 3}(0 0 0 1) surface have been systematically investigated by density functional theory calculations. The nature of the surface-ethanol bonding has studied through the density of states (DOS) and the electron density difference (EDD) contour plots. The DOS patterns confirm that the lone pair electrons of EtOH are involved in the formation of a surface Al−O dative bond and the EDD plots provide evidences for the bond weakening/forming, which are consistent with the DOS analysis. Our ethanol decomposition results indicate that ethanol dehydration to ethylene (CH{sub 3}CH{sub 2}OH{sub (a)} → C{sub 2}H{sub 4(g)} + OH{sub (a)} + H{sub (a)}), is the main reaction pathway with the energy barrier of 1.46 eV. Although the cleavage of the hydroxyl group of ethanol has lower energy barrier, the further decomposition of ethoxy owns much higher energy barrier.

Smooth surfaces in very thin GdBa{sub 2}Cu{sub 3}O{sub 7−δ} films for application in superconducting tunnel junctions

Energy Technology Data Exchange (ETDEWEB)

Navarro, H., E-mail: henrynavarro@cab.cnea.gov.ar [Instituto Balseiro, Universidad Nacional de Cuyo & CNEA, 8400 Bariloche (Argentina); Centro Atómico Bariloche, Comisión Nacional de Energía Atómica. Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Sirena, M. [Instituto Balseiro, Universidad Nacional de Cuyo & CNEA, 8400 Bariloche (Argentina); Centro Atómico Bariloche, Comisión Nacional de Energía Atómica. Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Kim, Jeehoon [Department of Physics, Pohang University of Science and Technology, Pohang (Korea, Republic of); CALDES, Institute for Basic Science, Pohang (Korea, Republic of); Haberkorn, N. [Instituto Balseiro, Universidad Nacional de Cuyo & CNEA, 8400 Bariloche (Argentina); Centro Atómico Bariloche, Comisión Nacional de Energía Atómica. Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina)

2015-03-15

Highlights: • A detailed study of the morphological properties of GdBa{sub 2}Cu{sub 3}O{sub 7−δ} thin films was realized. • The inclusion of a very thin SrTiO{sub 3} buffer layer modifies the surface of the SrTiO{sub 3} substrates. • The inclusion of the buffer layer suppress the three dimensional nucleation in the GdBa{sub 2}Cu{sub 3}O{sub 7−δ} film. • GdBa{sub 2}Cu{sub 3}O{sub 7−δ} films with large areas free of topological defects and T{sub c} close to liquid nitrogen can be obtained. - Abstract: This paper provides a systematic analysis of the morphology and the superconducting critical temperature obtained in very thin GdBa{sub 2}Cu{sub 3}O{sub 7−δ} films grown on (0 0 1) SrTiO{sub 3} substrates by DC sputtering. We find that the use of a very thin SrTiO{sub 3} buffer layer (≈2 nm) modify the nucleation of GdBa{sub 2}Cu{sub 3}O{sub 7−δ} on the surface of the substrate reducing the formation of 3 dimensional clusters. Our results demonstrate that 16 nm thick GdBa{sub 2}Cu{sub 3}O{sub 7−δ} films with an average root-mean-square (RMS) smaller than 1 nm and large surface areas (up 10 μm{sup 2}) free of 3 dimensional topological defects can be obtained. In films thinner than 24 nm the onset (zero resistance) of superconducting transition of the films is reduced, being close to liquid nitrogen. This fact can be associated with stress reducing the orthorhombicity and slightly drop in oxygen stoichiometry.

A SUB-GRID VOLUME-OF-FLUIDS (VOF) MODEL FOR MIXING IN RESOLVED SCALE AND IN UNRESOLVED SCALE COMPUTATIONS

International Nuclear Information System (INIS)

Vold, Erik L.; Scannapieco, Tony J.

2007-01-01

A sub-grid mix model based on a volume-of-fluids (VOF) representation is described for computational simulations of the transient mixing between reactive fluids, in which the atomically mixed components enter into the reactivity. The multi-fluid model allows each fluid species to have independent values for density, energy, pressure and temperature, as well as independent velocities and volume fractions. Fluid volume fractions are further divided into mix components to represent their 'mixedness' for more accurate prediction of reactivity. Time dependent conversion from unmixed volume fractions (denoted cf) to atomically mixed (af) fluids by diffusive processes is represented in resolved scale simulations with the volume fractions (cf, af mix). In unresolved scale simulations, the transition to atomically mixed materials begins with a conversion from unmixed material to a sub-grid volume fraction (pf). This fraction represents the unresolved small scales in the fluids, heterogeneously mixed by turbulent or multi-phase mixing processes, and this fraction then proceeds in a second step to the atomically mixed fraction by diffusion (cf, pf, af mix). Species velocities are evaluated with a species drift flux, ρ i u di = ρ i (u i -u), used to describe the fluid mixing sources in several closure options. A simple example of mixing fluids during 'interfacial deceleration mixing with a small amount of diffusion illustrates the generation of atomically mixed fluids in two cases, for resolved scale simulations and for unresolved scale simulations. Application to reactive mixing, including Inertial Confinement Fusion (ICF), is planned for future work.

LA phonons scattering of surface electrons in Bi{sub 2}Se{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Huang, Lang-Tao [State Key Laboratory of Low-Dimensional Quantum Physics, Department of Physics, Tsinghua University, Beijing 100084 (China); Zhu, Bang-Fen [State Key Laboratory of Low-Dimensional Quantum Physics, Department of Physics, Tsinghua University, Beijing 100084, China and Institute of Advanced Study, Tsinghua University, Beijing 100084 (China)

2013-12-04

Within the Boltzmann equation formalism we evaluate the transport relaxation time of Dirac surface states (SSs) in the typical topological insulator(TI) Bi{sub 2}Se{sub 3} due to the phonon scattering. We find that although the back-scattering of the SSs in TIs is strictly forbidden, the in-plane scattering between SSs in 3-dimensional TIs is allowed, maximum around the right-angle scattering. Thus the topological property of the SSs only reduces the scattering rate to its one half approximately. Besides, the larger LA deformation potential and lower sound velocity of Bi{sub 2}Se{sub 3} enhance the scattering rate significantly. Compared with the Dirac electrons in graphene, we find the scattering rate of SSs in Bi{sub 2}Se{sub 3} are two orders of magnitudes larger, which agree with the recent transport experiments.

Penn West Energy Trust CO{sub 2} EOR storage monitoring project

Energy Technology Data Exchange (ETDEWEB)

Chalaturnyk, R. [Alberta Univ., Edmonton, AB (Canada)

2007-07-01

This presentation described Penn West Energy Trust's carbon dioxide (CO{sub 2}) enhanced oil recovery (EOR) storage monitoring project. The project formed part of a royalty credit program that offered a royalty reduction to energy companies as part of a plan to encourage the development of a CO{sub 2} storage industry in Alberta. The multi-agency project is expected to provide a better understanding of the fate of CO{sub 2} injected into petroleum reservoirs and the role that CO{sub 2} storage will play in reducing greenhouse gas (GHG) emissions. The project is located in a reservoir that had previously been waterflooded. High purity CO{sub 2} is injected through 2 directional wells. Data acquired from the field is used to provide information on baseline geology and hydrogeology, as well as to provide details of baseline leakages. Rock properties are investigated in order identify issues affecting rock strength. Geophysical monitoring is conducted to interpret baseline seismic profile datasets as well as to integrate active and passive survey analyses with geochemical characterization studies and reservoir models. The project is currently in the stage of developing a simulation model based on a comprehensive understanding of CO{sub 2} injection mechanisms. The model will be used to predict CO{sub 2} storage capacity and movement. refs., tabs., figs.

Static elliptic minimal surfaces in AdS{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Pastras, Georgios [NCSR ' ' Demokritos' ' , Institute of Nuclear and Particle Physics, Attiki (Greece)

2017-11-15

The Ryu-Takayanagi conjecture connects the entanglement entropy in the boundary CFT to the area of open co-dimension two minimal surfaces in the bulk. Especially in AdS{sub 4}, the latter are two-dimensional surfaces, and, thus, solutions of a Euclidean non-linear sigma model on a symmetric target space that can be reduced to an integrable system via Pohlmeyer reduction. In this work, we construct static minimal surfaces in AdS{sub 4} that correspond to elliptic solutions of the reduced system, namely the cosh-Gordon equation, via the inversion of Pohlmeyer reduction. The constructed minimal surfaces comprise a two-parameter family of surfaces that include helicoids and catenoids in H{sup 3} as special limits. Minimal surfaces that correspond to identical boundary conditions are discovered within the constructed family of surfaces and the relevant geometric phase transitions are studied. (orig.)

Boosted surface acidity in TiO{sub 2} and Al{sub 2}O{sub 3}-TiO{sub 2} nanotubes as catalytic supports

Energy Technology Data Exchange (ETDEWEB)

Camposeco, R. [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico); Department of Chemistry, UAM-A, 55534, México, D.F. (Mexico); Castillo, S., E-mail: scastill@imp.mx [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico); Department of Chemical Engineering, ESIQIE-IPN, 75876, México, D.F. (Mexico); Mejía-Centeno, Isidro; Navarrete, J.; Nava, N. [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico)

2015-11-30

Graphical abstract: - Highlights: • Surface acidity of NTs was modified by adding alumina. • Brönsted acid sites remain constant but Lewis acid sites are increased remarkably. • IR characterization by lutidine and pyridine confirms the surface acidity of NTs. • 98% of NO conversion was reached between 380 and 480 °C on NT-5Al. • The boosted surface acidity of NT-Al improves the catalytic activity for SCR-NO. - Abstract: In this study, titanate nanotubes (NT) and titanate nanotubes with alumina (NT-Al) were studied as solid acid catalytic supports to show the relationship between the kind of acidity and catalytic activity. The supports were characterized by XRD, TEM, FTIR, XPS, and tested in the SCR-NO with NH{sub 3}. It was found that the amount of Brönsted acid sites was maintained and the Lewis acid sites were significantly affected by the addition of alumina (1, 3, 5 and 10 wt.%); such acidity was higher than that of the titanate nanotubes (NT) by two-fold. To confirm the formation of titanate nanotubes and titanate nanotubes with alumina, transmission electron microscopy (TEM) was used. X-ray diffraction (XRD) revealed the formation of the H{sub 2}Ti{sub 4}O{sub 9}·H{sub 2}O phase. All NT and NT-Al supports presented catalytic activity to remove NO with NH{sub 3} under lean conditions, confirming the presence of an important amount of Brönsted and Lewis acid sites in both NT and NT-Al supports.

Water adsorption induced in-plane domain switching on BaTiO{sub 3} surface

Energy Technology Data Exchange (ETDEWEB)

Li, X.; Bai, Y.; Su, Y. J., E-mail: yjsu@ustb.edu.cn [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Wang, B. C. [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Multiscale Materials Modelling group, Department of Materials and Engineering, Royal Institute of Technology, SE-10044 Stockholm (Sweden)

2015-09-07

In this study, the influences of the adsorption of water molecules on the changes in the atomic and electric structures of BaTiO{sub 3} surface were investigated using ab initio calculation. Water molecules are molecularly and dissociatively adsorbed on the BaTiO{sub 3} surface, which makes electrons transfer from water molecules to the BaTiO{sub 3} surface. The redistribution of electrons in the BaTiO{sub 3} surface layers weakens the Ba-O interactions and strengthens the Ti-O interactions, so that the Ti atom shifts in TiO{sub 2} plane, i.e., an in-plane domain switching. The adsorption of water molecules on BaTiO{sub 3} surfaces also results in a reduction in the surface rumpling.

Monitoring of magnetic EOR fluids in reservoir under production by using the electromagnetic method

Science.gov (United States)

KIM, S.; Min, D. J.; Moon, S.; Kim, W. K.; Shin, Y.

2014-12-01

To increase the amount of oil and gas extracted during production, some techniques like EOR (Enhanced Oil Recovery) are applied by injecting some materials such as water and CO2. Recently, there are some researches for injecting magnetic nanoparticles with fluids during EOR. The size of particle is nano-scale, which can prevent particles from adhering to the pores of reservoir. The main purpose of injecting magnetic nanoparticles is to monitor movement or distribution of EOR fluids. To monitor the injected magnetic EOR fluids in the reservoir, CSEM (controlled source electromagnetic method) can be the most optimized geophysical method among various geophysical monitoring methods. Depending on the reservoir circumstances, we can control the electric or magnetic sources to monitor reservoir during oil or gas production. In this study, we perform numerical simulation of CSEM for 3D horizontal-layered models assuming a reservoir under production. We suppose that there are two wells: one is for the controlled source; the other is for the receiver. By changing the distribution, movement and magnetization of EOR fluids, we compare the electric or magnetic fields recorded at the receiver. Maxwell's equations are the governing equation of CSEM and are approximated by using the edge-based finite-element method. Direct solver is applied to solve the linear equations. Because injected magnetic nanoparticle changes the conductivity of EOR fluid, there is high contrast of conductivity of reservoir. This high contrast of conductivity induces secondary electric or magnetic fields that are recorded at the receiver well. We compare these recorded secondary fields generated by various movement or distribution of magnetic EOR fluid. Acknowledgements This work was supported by the "Development of Technology for CO2 Marine Geological Storage" grant funded by the Ministry of Oceans and Fisheries of Korea, by the "Civil Military Technology Cooperation Center", and by the International

Cobalt surface modification during γ-Fe{sub 2}O{sub 3} nanoparticle synthesis by chemical-induced transition

Energy Technology Data Exchange (ETDEWEB)

Li, Junming [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Li, Jian, E-mail: aizhong@swu.edu.cn [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Chen, Longlong; Lin, Yueqiang; Liu, Xiaodong; Gong, Xiaomin [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Li, Decai [School of Mechanical and Control Engineering, Beijing Jiaotong University, Beijing 100044 (China)

2015-02-01

In the chemical-induced transition of FeCl{sub 2} solution, the FeOOH/Mg(OH){sub 2} precursor was transformed into spinel structured γ-Fe{sub 2}O{sub 3} crystallites, coated with a FeCl{sub 3}·6H{sub 2}O layer. CoCl{sub 2} surface modified γ-Fe{sub 2}O{sub 3} nanoparticles were prepared by adding Co(NO{sub 3}){sub 2} during the synthesis. CoFe{sub 2}O{sub 4} modified γ-Fe{sub 2}O{sub 3} nanoparticles were prepared by adding NaOH during the surface modification with Co(NO{sub 3}){sub 2}. The CoFe{sub 2}O{sub 4} layer grew epitaxially on the γ-Fe{sub 2}O{sub 3} crystallite to form a composite crystallite, which was coated by CoCl{sub 2}·6H{sub 2}O. The composite could not be distinguished using X-ray diffraction or transmission electron microscopy, since CoFe{sub 2}O{sub 4} and γ-Fe{sub 2}O{sub 3} possess similar spinel structures and lattice constants. X-ray photoelectron spectroscopy was used to distinguish them. The saturation magnetization and coercivity of the spinel structured γ-Fe{sub 2}O{sub 3}-based nanoparticles were related to the grain size. - Highlights: • γ-Fe{sub 2}O{sub 3} nanoparticles were synthesized by chemical induced transition. • CoCl{sub 2} modified nanoparticles were prepared by additional Co(NO{sub 3}){sub 2} during synthesization. • CoFe{sub 2}O{sub 4} modified nanoparticles were prepared by additional Co(NO{sub 3}){sub 2} and NaOH. • The magnetism of the nanoparticles is related to the grain size.

Water quality monitoring in sub-Saharan African lakes: a review of ...

African Journals Online (AJOL)

This paper reviews the literature on various remote sensing platforms and techniques used for assessing and monitoring water quality in sub-Saharan Africa, and highlights their strengths and weaknesses. The use of remote sensing technology could enhance water quality monitoring, since remotely sensed data offer ...

Synthesis, surface modification/decoration of luminescent–magnetic core/shell nanomaterials, based on the lanthanide doped fluorides (Fe{sub 3}O{sub 4}/SiO{sub 2}/NH{sub 2}/PAA/LnF{sub 3})

Energy Technology Data Exchange (ETDEWEB)

Runowski, Marcin; Lis, Stefan, E-mail: blis@amu.edu.pl

2016-02-15

The synthesized magnetite nanoparticles (10–15 nm) were successfully coated with amine modified silica nanoshell, which led to the formation of core/shell type nanostructures (30–50 nm). The as-prepared nanoparticles were surface modified with polyacrylic acid (PAA) via electrostatic interactions of –NH{sub 2} and –COOH groups. Afterwards, the surface PAA molecules acted as complexing agents of the introduced lanthanide (Ln{sup 3+}) ions. Subsequently, the as-prepared nanostructures were surface decorated with luminescent LnF{sub 3} nanoparticles, forming Eu{sup 3+} or Tb{sup 3+} doped Fe{sub 3}O{sub 4}/SiO{sub 2}/NH{sub 2}/PAA/LnF{sub 3} nanomaterials (50–100 nm). The obtained luminescent–magnetic products exhibited simultaneously bright red or green emission under UV lamp irradiation (λ{sub ex}=254 nm), and a response for the applied magnetic field (strong magnet attracts the colloidal particles, dispersed in aqueous medium). After the synthesis, properties of the nanomaterials were investigated by powder X-ray diffraction (XRD) technique, transmission electron microscopy (TEM), infrared spectroscopy (IR) and spectrofluorometry (analysis of excitation/emission spectra and luminescence decay curves). Such advanced nanomaterials can be potentially used in multimodal imaging, targeted therapies and as multifunctional contrast agents, novel luminescent–magnetic tracers, protection of documents, etc. - Highlights: • Luminescent–magnetic nanomaterials Fe{sub 3}O{sub 4}/SiO{sub 2}/NH{sub 2}/PAA/LnF{sub 3} were synthesized. • Core/shell nanostructures were obtained by surface modification of nanoparticles. • Luminescent lanthanide fluoride nanoparticles doped with Eu{sup 3+} and Tb{sup 3+} ions. • Multifunctional core/shell nanostructures exhibited red or green emission. • Nanomaterials formed stable aqueous colloids.

Integrated Reflection Seismic Monitoring and Reservoir Modeling for Geologic CO2 Sequestration

Energy Technology Data Exchange (ETDEWEB)

John Rogers

2011-12-31

The US DOE/NETL CCS MVA program funded a project with Fusion Petroleum Technologies Inc. (now SIGMA) to model the proof of concept of using sparse seismic data in the monitoring of CO{sub 2} injected into saline aquifers. The goal of the project was to develop and demonstrate an active source reflection seismic imaging strategy based on deployment of spatially sparse surface seismic arrays. The primary objective was to test the feasibility of sparse seismic array systems to monitor the CO{sub 2} plume migration injected into deep saline aquifers. The USDOE/RMOTC Teapot Dome (Wyoming) 3D seismic and reservoir data targeting the Crow Mountain formation was used as a realistic proxy to evaluate the feasibility of the proposed methodology. Though the RMOTC field has been well studied, the Crow Mountain as a saline aquifer has not been studied previously as a CO{sub 2} sequestration (storage) candidate reservoir. A full reprocessing of the seismic data from field tapes that included prestack time migration (PSTM) followed by prestack depth migration (PSDM) was performed. A baseline reservoir model was generated from the new imaging results that characterized the faults and horizon surfaces of the Crow Mountain reservoir. The 3D interpretation was integrated with the petrophysical data from available wells and incorporated into a geocellular model. The reservoir structure used in the geocellular model was developed using advanced inversion technologies including Fusion's ThinMAN{trademark} broadband spectral inversion. Seal failure risk was assessed using Fusion's proprietary GEOPRESS{trademark} pore pressure and fracture pressure prediction technology. CO{sub 2} injection was simulated into the Crow Mountain with a commercial reservoir simulator. Approximately 1.2MM tons of CO{sub 2} was simulated to be injected into the Crow Mountain reservoir over 30 years and subsequently let 'soak' in the reservoir for 970 years. The relatively small plume

Perioperative Intravascular Fluid Assessment and Monitoring: A Narrative Review of Established and Emerging Techniques

Directory of Open Access Journals (Sweden)

Sumit Singh

2011-01-01

Full Text Available Accurate assessments of intravascular fluid status are an essential part of perioperative care and necessary in the management of the hemodynamically unstable patient. Goal-directed fluid management can facilitate resuscitation of the hypovolemic patient, reduce the risk of fluid overload, reduce the risk of the injudicious use of vasopressors and inotropes, and improve clinical outcomes. In this paper, we discuss the strengths and limitations of a spectrum of noninvasive and invasive techniques for assessing and monitoring intravascular volume status and fluid responsiveness in the perioperative and critically ill patient.

Ancient microbes from halite fluid inclusions: optimized surface sterilization and DNA extraction.

Directory of Open Access Journals (Sweden)

Krithivasan Sankaranarayanan

Full Text Available Fluid inclusions in evaporite minerals (halite, gypsum, etc. potentially preserve genetic records of microbial diversity and changing environmental conditions of Earth's hydrosphere for nearly one billion years. Here we describe a robust protocol for surface sterilization and retrieval of DNA from fluid inclusions in halite that, unlike previously published methods, guarantees removal of potentially contaminating surface-bound DNA. The protocol involves microscopic visualization of cell structures, deliberate surface contamination followed by surface sterilization with acid and bleach washes, and DNA extraction using Amicon centrifugal filters. Methods were verified on halite crystals of four different ages from Saline Valley, California (modern, 36 ka, 64 ka, and 150 ka, with retrieval of algal and archaeal DNA, and characterization of the algal community using ITS1 sequences. The protocol we developed opens up new avenues for study of ancient microbial ecosystems in fluid inclusions, understanding microbial evolution across geological time, and investigating the antiquity of life on earth and other parts of the solar system.

Ancient microbes from halite fluid inclusions: optimized surface sterilization and DNA extraction.

Science.gov (United States)

Sankaranarayanan, Krithivasan; Timofeeff, Michael N; Spathis, Rita; Lowenstein, Tim K; Lum, J Koji

2011-01-01

Fluid inclusions in evaporite minerals (halite, gypsum, etc.) potentially preserve genetic records of microbial diversity and changing environmental conditions of Earth's hydrosphere for nearly one billion years. Here we describe a robust protocol for surface sterilization and retrieval of DNA from fluid inclusions in halite that, unlike previously published methods, guarantees removal of potentially contaminating surface-bound DNA. The protocol involves microscopic visualization of cell structures, deliberate surface contamination followed by surface sterilization with acid and bleach washes, and DNA extraction using Amicon centrifugal filters. Methods were verified on halite crystals of four different ages from Saline Valley, California (modern, 36 ka, 64 ka, and 150 ka), with retrieval of algal and archaeal DNA, and characterization of the algal community using ITS1 sequences. The protocol we developed opens up new avenues for study of ancient microbial ecosystems in fluid inclusions, understanding microbial evolution across geological time, and investigating the antiquity of life on earth and other parts of the solar system.

Ertel's vorticity theorem and new flux surfaces in multi-fluid plasmas

International Nuclear Information System (INIS)

Hameiri, Eliezer

2013-01-01

Dedicated to Professor Harold Weitzner on the occasion of his retirement“Say to wisdom ‘you are my sister,’ and to insight ‘you are my relative.’”—Proverbs 7:4Based on an extension to plasmas of Ertel's classical vorticity theorem in fluid dynamics, it is shown that for each species in a multi-fluid plasma there can be constructed a set of nested surfaces that have this species' fluid particles confined within them. Variational formulations for the plasma evolution and its equilibrium states are developed, based on the new surfaces and all of the dynamical conservation laws associated with them. It is shown that in the general equilibrium case, the energy principle lacks a minimum and cannot be used as a stability criterion. A limit of the variational integral yields the two-fluid Hall-magnetohydrodynamic (MHD) model. A further special limit yields MHD equilibria and can be used to approximate the equilibrium state of a Hall-MHD plasma in a perturbative way

Control of the Shell Thickness of TiO{sub 2} SiO{sub 2} Particles and Its Surface Functionalization

Energy Technology Data Exchange (ETDEWEB)

Ahn, Junho; Jung, Sung Ho; Lee, Ji Ha; Kwon, Kiyoung; Jung, Jong Hwa [Gyeongsang National Univ., Jinju (Korea, Republic of)

2013-11-15

TiO{sub 2} SiO{sub 2} yolk/core shell particles were obtained by a sol-gel polymerization. The shell thickness of TiO{sub 2} SiO{sub 2} can successfully be controlled by sol-gel reaction times. The anatase structure of TiO{sub 2} SiO{sub 2} was more stable than that of TiO{sub 2} particles calcinated at higher temperature. Moreover, acrylate-functionalized TiO{sub 2} SiO{sub 2} particles were also successfully synthesized using the TiO{sub 2} SiO{sub 2} particles as building blocks by copolymerization of trimethoxysilyl groups of MPA with the existing hydroxyl groups on the surface of TiO{sub 2} SiO{sub 2} particles. Furthermore, TEM, EDX, and FTIR studies confirmed that MPA had been successfully grafted to the surface of TiO{sub 2} SiO{sub 2} particles. Finally, we believe that the present results showing the development of surface functionalized particles can be very useful in the fields of various functional applications, and could be extended to more sophisticated hybrid materials.The fabrication of functional hollow particles is of great scientific and technological interest for purposes of applications ranging from drug delivery, coatings, photonic devices, and nanoscale reaction vessels. Various methods, including approaches such as spray drying, emulsion templating techniques, and self-assembly processes, have been described for the preparation of hollow spheres out of latex, metal, and inorganic materials.

A Novel Chronic Opioid Monitoring Tool to Assess Prescription Drug Steady State Levels in Oral Fluid.

Science.gov (United States)

Shaparin, Naum; Mehta, Neel; Kunkel, Frank; Stripp, Richard; Borg, Damon; Kolb, Elizabeth

2017-11-01

Interpretation limitations of urine drug testing and the invasiveness of blood toxicology have motivated the desire for the development of simpler methods to assess biologically active drug levels on an individualized patient basis. Oral fluid is a matrix well-suited for the challenge because collections are based on simple noninvasive procedures and drug concentrations better correlate to blood drug levels as oral fluid is a filtrate of the blood. Well-established pharmacokinetic models were utilized to generate oral fluid steady state concentration ranges to assess the interpretive value of the alternative matrix to monitor steady state plasma oxycodone levels. Paired oral fluid and plasma samples were collected from patients chronically prescribed oxycodone and quantitatively analyzed by liquid chromatography tandem mass spectrometry. Steady state plasma concentration ranges were calculated for each donor and converted to an equivalent range in oral fluid. Measured plasma and oral fluid oxycodone concentrations were compared with respective matrix-matched steady state ranges, using each plasma steady state classification as the control. A high degree of correlation was observed between matrices when classifying donors according to expected steady state oxycodone concentration. Agreement between plasma and oral fluid steady state classifications was observed in 75.6% of paired samples. This study supports novel application of basic pharmacokinetic knowledge to the pain management industry, simplifying and improving individualized drug monitoring and risk assessment through the use of oral fluid drug testing. Many benefits of established therapeutic drug monitoring in plasma can be realized in oral fluid for patients chronically prescribed oxycodone at steady state. © 2017 American Academy of Pain Medicine. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com

Synthesis, surface properties and photocatalytic abilities of semiconductor In{sub 2}Cu{sub 2}O{sub 5} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Xu, Jian; Wan, Yingpeng; Huang, Yanlin [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Wang, Yaorong, E-mail: yrwang@suda.edu.cn [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Qin, Lin [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of)

2016-12-15

Highlights: • In{sub 2}Cu{sub 2}O{sub 5} has high absorption in the UV-green and red wavelength region. • The nanoparticles present efficient photocatalytsis under visible light. • The photochemical properties were elucidated on its structure properties. - Abstract: In{sub 2}Cu{sub 2}O{sub 5} photocatalyst was prepared by the sol-gel method which produced worm-like nanoparticles. The X-ray powder diffraction (XRD) measurement and Rietveld structural refinement were applied to elucidate the phase formation and structural properties. The morphological properties of the surfaces were measured by scanning electron microscope (SEM), energy dispersive spectrum (EDS), and transmission electron microscopy (TEM). The nanoparticles present optical absorption from both the host lattices and the d–d transitions of distorted Cu{sup 2+} octahedra in UV–vis light wavelength region. The band-gap of In{sub 2}Cu{sub 2}O{sub 5} photocatalyst is about 2.31 eV. The photocatalytic abilities of In{sub 2}Cu{sub 2}O{sub 5} nanoparticles were verified by photo-degradation of methylene blue (MB) solutions irradiated by visible light. The energy potential and bad structure were discussed. In{sub 2}Cu{sub 2}O{sub 5} nanoparticles have the potential application for the efficient photocatalysis on MB dye solutions.

Surface Brillouin scattering measurement of the elastic constants of single crystal InAs{sub 0.91}Sb{sub 0.09}

Energy Technology Data Exchange (ETDEWEB)

Kotane, L M; Comins, J D; Every, A G [Materials Physics Research Institute, School of Physics, University of the Witwatersrand, Johannesburg, Wits 2050 (South Africa); Botha, J R, E-mail: Lesias.Kotane@wits.ac.z [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa)

2011-01-01

Surface Brillouin scattering of light has been used to measure the angular dependence of the Rayleigh surface acoustic wave (SAW), pseudo surface acoustic wave (PSAW) and longitudinal lateral wave (LLW) speeds in a (100)-oriented single crystal of the ternary semiconductor alloy InAs{sub 0.91}Sb{sub 0.09}. The wave speed measurements have been used to determine the room temperature values of the elastic constants C{sub 11}, C{sub 12} and C{sub 44} of the alloy. A simple and robust fitting procedure has been implemented for recovering the elastic constants, in which the merit function is constructed from explicit secular functions that determine the surface and lateral wave speeds in the [001] and [011] crystallographic directions. In the fitting, relatively larger weighting factors have been assigned to the SAW and PSAW data because of the greater precision with which the surface modes can be measured as compared with the lateral wave.

Effects of synthesis conditions on structure and surface properties of SmMn{sub 2}O{sub 5} mullite-type oxide

Energy Technology Data Exchange (ETDEWEB)

Thampy, Sampreetha; Ibarra, Venessa; Lee, Yun-Ju [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States); McCool, Geoffrey [Nanostellar Inc., 3696 Haven Avenue, Redwood City, CA 94063 (United States); Cho, Kyeongjae [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States); Hsu, Julia W.P., E-mail: jwhsu@utdallas.edu [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States)

2016-11-01

Highlights: • Investigate the effects of calcination temperature and precipitation pH on crystallinity, phase purity, particle size, surface composition, and NO adsorption capacity of SmMn{sub 2}O{sub 5}. • High calcination temperature increases mullite phase purity but decreases specific surface area (SSA). • Mullite phase purity is independent of pH while SSA monotonically increases. • SSA and surface Mn/Sm ratio determine NO uptake. - Abstract: A mixed-phase compound that contains SmMn{sub 2}O{sub 5} mullite-type oxides has been reported to display excellent catalytic activity for nitric oxide (NO) oxidation. Here we investigate the effects of calcination temperature and precipitation pH on structural, physical, chemical, and surface properties of SmMn{sub 2}O{sub 5}. As the calcination temperature increases from 750 °C to 1000 °C, mullite phase purity increases from 74% to 100%, while specific surface area (SSA) decreases from 23.6 m{sup 2}/g to 5.1 m{sup 2}/g with particle size increases correspondingly. Mullite phase purity (87%) is independent of pH between 8.5–10.4, whereas SSA monotonically increases from 12.5 m{sup 2}/g at pH 8.1 to 27.4 m{sup 2}/g at pH 13. X-ray photoelectron spectroscopy (XPS) studies reveal that the surface Mn/Sm ratio is similar to the bulk value and is unaffected by calcination temperature and pH values up to 10.4, whereas sample precipitated at pH 13 is surface-rich in Sm. NO chemisorption studies show that the SSA and surface Mn/Sm ratio determine NO uptake by SmMn{sub 2}O{sub 5} mullite oxides.

Studies of YBa{sub 2}Cu{sub 3}O{sub 6+x} degradation and surface conductivity properties by Scanning Spreading Resistance Microscopy

Energy Technology Data Exchange (ETDEWEB)

Truchly, Martin, E-mail: martin.truchly@fmph.uniba.sk [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, 84248 Bratislava (Slovakia); Plecenik, Tomas; Krsko, Ondrej; Gregor, Maros; Satrapinskyy, Leonid; Roch, Tomas; Grancic, Branislav; Mikula, Marian [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, 84248 Bratislava (Slovakia); Dujavova, Agata; Chromik, Stefan [Institute of Electrical Engineering, Slovak Academy of Sciences, 84104 Bratislava (Slovakia); Kus, Peter; Plecenik, Andrej [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, 84248 Bratislava (Slovakia)

2012-12-14

Local surface conductivity properties and surface degradation of c-axis oriented YBa{sub 2}Cu{sub 3}O{sub 6+x} (YBCO) thin films were studied by Scanning Spreading Resistance Microscopy (SSRM). For the surface degradation studies, the YBCO surface was cleaned by ion beam etching and the SSRM surface conductivity map has been subsequently repeatedly measured over several hours in air and pure nitrogen. Average surface conductivity of the scanned area was gradually decreasing over time in both cases, faster in air. This was explained by oxygen out-diffusion in both cases and chemical reactions with water vapor in air. The obtained surface conductivity images also revealed its high inhomogenity on micrometer and nanometer scale with numerous regions of highly enhanced conductivity compared to the surroundings. Furthermore, it has been shown that the size of these conductive regions considerably depends on the applied voltage. We propose that such inhomogeneous surface conductivity is most likely caused by varying thickness of degraded YBCO surface layer as well as varying oxygen concentration (x parameter) within this layer, what was confirmed by scanning Auger electron microscopy (SAM). In our opinion the presented findings might be important for analysis of current-voltage and differential characteristics measured on classical planar junctions on YBCO as well as other perovskites.

Sub-µm structured lotus surfaces manufacturing

DEFF Research Database (Denmark)

Worgull, Matthias; Heckele, Mathias; Mappes, Timo

2009-01-01

. Unlike to stochastic methods, patterning with a LIGA-mold insert it is possible to structure surfaces very uniformly or even with controlled variations (e.g., with gradients). In this paper we present the process chain to realize polymer sub-lm structures with minimum lateral feature size of 400 nm...

Fluid flow near the surface of earth's outer core

Science.gov (United States)

Bloxham, Jeremy; Jackson, Andrew

1991-01-01

This review examines the recent attempts at extracting information on the pattern of fluid flow near the surface of the outer core from the geomagnetic secular variation. Maps of the fluid flow at the core surface are important as they may provide some insight into the process of the geodynamo and may place useful constraints on geodynamo models. In contrast to the case of mantle convection, only very small lateral variations in core density are necessary to drive the flow; these density variations are, by several orders of magnitude, too small to be imaged seismically; therefore, the geomagnetic secular variation is utilized to infer the flow. As substantial differences exist between maps developed by different researchers, the possible underlying reasons for these differences are examined with particular attention given to the inherent problems of nonuniqueness.

Photoreduction of non-noble metal Bi on the surface of Bi{sub 2}WO{sub 6} for enhanced visible light photocatalysis

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiaojing [State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, No. 8, Xindu Road, Xindu District, Chengdu 610500 (China); The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, No. 8, Xindu Road, Xindu District, Chengdu 610500 (China); Yu, Shan; Liu, Yang; Zhang, Qian [The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, No. 8, Xindu Road, Xindu District, Chengdu 610500 (China); Zhou, Ying, E-mail: yzhou@swpu.edu.cn [State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, No. 8, Xindu Road, Xindu District, Chengdu 610500 (China); The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, No. 8, Xindu Road, Xindu District, Chengdu 610500 (China)

2017-02-28

Highlights: • Bi{sub 2}WO{sub 6}-Bi composite was synthesized by in situ photoreduction of Bi{sub 2}WO{sub 6}. • Bi{sub 2}WO{sub 6}-Bi exhibits improved photocatalytic efficiency towards degradation of Rhodamine B. • The generation of elemental Bi in Bi{sub 2}WO{sub 6}-Bi induces vacancy and structure distortion of Bi{sub 2}WO{sub 6}. • The surface oxygen adsorption mode changes from hydroxyl group on Bi{sub 2}WO{sub 6} to molecular oxygen on Bi{sub 2}WO{sub 6}-Bi. - Abstract: In this report, Bi{sub 2}WO{sub 6}-Bi composite was prepared through an in situ photoreduction method and was characterized systematically by X-Ray diffraction, transmission electron microscopy, X-Ray photoelectron spectroscopy and UV-vis diffuse reflectance spectroscopy. The as-prepared Bi{sub 2}WO{sub 6}-Bi maintains the same crystal structure with the pristine Bi{sub 2}WO{sub 6} regardless of some surface defects. Nevertheless, these surface defects result in the change of surface oxygen adsorption mode from hydroxyl to molecular oxygen on Bi{sub 2}WO{sub 6}. Photocatalytic activity over Bi{sub 2}WO{sub 6}-Bi is 2.4 times higher than that of Bi{sub 2}WO{sub 6} towards the degradation of organic dye Rhodamine B (RhB) under visible light irradiation (λ > 420 nm). A deep study shows that cleavage of benzene ring is the main pathway for RhB degradation over Bi{sub 2}WO{sub 6}, but both the benzene cleavage and de-ethylation pathway coexist for RhB decomposition in the presence of Bi{sub 2}WO{sub 6}-Bi as the photocatalyst. Photoelectrochemical study including transient photocurrent tests and electrochemical impedance spectroscopy measurements shows that Bi{sub 2}WO{sub 6}-Bi could facilitate the charge transfer process compared to Bi{sub 2}WO{sub 6}. These data above has indicated a new insight into the promotion mechanism based on Bi related heterostructures.

The complexity of identifying Ryu-Takayanagi surfaces in AdS{sub 3}/CFT{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Bao, N.; Chatwin-Davies, A. [Walter Burke Institute for Theoretical Physics, California Institute of Technology,Pasadena, CA 91125 (United States)

2016-11-07

We present a constructive algorithm for the determination of Ryu-Takayanagi surfaces in AdS{sub 3}/CFT{sub 2} which exploits previously noted connections between holographic entanglement entropy and max-flow/min-cut. We then characterize its complexity as a polynomial time algorithm.

Surface and interface states of Bi{sub 2}Se{sub 3} thin films investigated by optical second-harmonic generation and terahertz emission

Energy Technology Data Exchange (ETDEWEB)

Hamh, S. Y.; Park, S.-H.; Lee, J. S., E-mail: jsl@gist.ac.kr [Department of Physics and Photon Science, School of Physics and Chemistry, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Jerng, S.-K.; Jeon, J. H.; Chun, S. H. [Department of Physics and Graphene Research Institute, Sejong University, Seoul 143-747 (Korea, Republic of); Jeon, J. H.; Kahng, S. J. [Department of Physics, Korea University, Seoul 136-701 (Korea, Republic of); Yu, K.; Choi, E. J. [Department of Physics, University or Seoul, Seoul 130-743 (Korea, Republic of); Kim, S.; Choi, S.-H. [Department of Applied Physics, College of Applied Science, Kyung Hee University, Yongin 446-701 (Korea, Republic of); Bansal, N. [Department of Electrical and Computer Engineering, Rutgers, The state University of New Jersey, Piscataway, New Jersey 08854 (United States); Oh, S. [Department of Physics and Astronomy, Rutgers, The state University of New Jersey, Piscataway, New Jersey 08854 (United States); Park, Joonbum; Kho, Byung-Woo; Kim, Jun Sung [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of)

2016-02-01

We investigate the surface and interface states of Bi{sub 2}Se{sub 3} thin films by using the second-harmonic generation technique. Distinct from the surface of bulk crystals, the film surface and interface show the isotropic azimuth dependence of second-harmonic intensity, which is attributed to the formation of randomly oriented domains on the in-plane. Based on the nonlinear susceptibility deduced from the model fitting, we determine that the surface band bending induced in a space charge region occurs more strongly at the film interface facing the Al{sub 2}O{sub 3} substrate or capping layer compared with the interface facing the air. We demonstrate that distinct behavior of the terahertz electric field emitted from the samples can provide further information about the surface electronic state of Bi{sub 2}Se{sub 3}.

Fluid free surface effect on the vibration analysis of cylindrical shells

International Nuclear Information System (INIS)

Lakis, A.A.; Brusuc, G.; Toorani, M.

2007-01-01

The present study is to investigate the effect of free surface motion of the fluid on the dynamic behavior of the thin-walled cylindrical shells. This paper outlines a semi-analytical approach to dynamic analysis of the fluid-filled horizontal cylindrical shell taking into account the free surface motion effect. The aim of the method is to provide a general approach that can be used for both analysis and synthesis of fluid structure interaction problems in the horizontal cylindrical shells where the dynamic interaction of a flexible structure and incompressible and inviscid flow is in focus. The approach is very general and allows for dynamic analysis of both uniform and non-uniform cylindrical shell considering the fluid forces including the sloshing effect exerted on the structure. The hybrid method developed in this work is on the basis of a combination of the classical finite element approach and the thin shell theory to determine the specific displacement functions. Mass and stiffness matrices of the shell are determined by precise analytical integration. A potential function is considered to develop the dynamic pressure due to the fluid. The kinetic and potential energies are evaluated for a range of fluid height to find the influence of the fluid on the dynamic responses of the structure. The influence of the physical and geometrical parameters on the fluid-structure system has been considered in the numerical solutions. When these results are compared with corresponding results available in the literature, both theory and experiment, very good agreement is obtained. (authors)

Sub-µ structured Lotus Surfaces Manufacturing

DEFF Research Database (Denmark)

Worgull, Matthias; Heckele, Mathias; Mappes, Timo

2008-01-01

. Unlike to stochastic methods, patternin¬g with a LIGA-mold insert it is possible to structure surfaces very uniformly or even with controlled variations (e.g. with gradients). In this paper we present the process chain to realize polymer sub-micro structures with minimum lateral feature size of 400 nm...

Effect of sulfation on the surface activity of CaO for N{sub 2}O decomposition

Energy Technology Data Exchange (ETDEWEB)

Wu, Lingnan, E-mail: wulingnan@126.com [School of Energy, Power and Mechanical Engineering, North China Electric Power University, 102206 Beijing (China); National Engineering Laboratory for Biomass Power Generation Equipment, North China Electric Power University, 102206 Beijing (China); Hu, Xiaoying, E-mail: huxy@ncepu.edu.cn [National Engineering Laboratory for Biomass Power Generation Equipment, North China Electric Power University, 102206 Beijing (China); Qin, Wu, E-mail: qinwugx@126.com [National Engineering Laboratory for Biomass Power Generation Equipment, North China Electric Power University, 102206 Beijing (China); Dong, Changqing, E-mail: cqdong1@163.com [National Engineering Laboratory for Biomass Power Generation Equipment, North China Electric Power University, 102206 Beijing (China); Yang, Yongping, E-mail: yypncepu@163.com [School of Energy, Power and Mechanical Engineering, North China Electric Power University, 102206 Beijing (China)

2015-12-01

Graphical abstract: - Highlights: • Sulfation of CaO (1 0 0) surface greatly deactivates its surface activity for N{sub 2}O decomposition. • An increase of sulfation degree leads to a decrease of CaO surface activity for N{sub 2}O decomposition. • Sulfation from CaSO{sub 3} into CaSO{sub 4} is the crucial step for deactivating the surface activity for N{sub 2}O decomposition. • The electronic interaction CaO (1 0 0)/CaSO{sub 4} (0 0 1) interface is limited to the bottom layer of CaSO{sub 4} (0 0 1) and the top layer of CaO (1 0 0). • CaSO{sub 4} (0 0 1) and (0 1 0) surfaces show negligible catalytic ability for N{sub 2}O decomposition. - Abstract: Limestone addition to circulating fluidized bed boilers for sulfur removal affects nitrous oxide (N{sub 2}O) emission at the same time, but mechanism of how sulfation process influences the surface activity of CaO for N{sub 2}O decomposition remains unclear. In this paper, we investigated the effect of sulfation on the surface properties and catalytic activity of CaO for N{sub 2}O decomposition using density functional theory calculations. Sulfation of CaO (1 0 0) surface by the adsorption of a single gaseous SO{sub 2} or SO{sub 3} molecule forms stable local CaSO{sub 3} or CaSO{sub 4} on the CaO (1 0 0) surface with strong hybridization between the S atom of SO{sub x} and the surface O anion. The formed local CaSO{sub 3} increases the barrier energy of N{sub 2}O decomposition from 0.989 eV (on the CaO (1 0 0) surface) to 1.340 eV, and further sulfation into local CaSO{sub 4} remarkably increases the barrier energy to 2.967 eV. Sulfation from CaSO{sub 3} into CaSO{sub 4} is therefore the crucial step for deactivating the surface activity for N{sub 2}O decomposition. Completely sulfated CaSO{sub 4} (0 0 1) and (0 1 0) surfaces further validate the negligible catalytic ability of CaSO{sub 4} for N{sub 2}O decomposition.

Fluids emission and gas chimneys imaged in high-resolution 3D seismic: Investigating the role of sedimentary structures in controlling vertical fluid migration (offshore of Ceará-Potiguar sub-basin, Brazil).

Science.gov (United States)

Maestrelli, Daniele; Iacopini, David; Vittorio, Maselli

2017-04-01

Fluid emissions at seabed have been widely investigated during last years due to their potential in detecting new petroleum provinces and to their role in monitoring the environmental risk associated to CO2 storage and hydrocarbon leakage from the overburden. Fluid emission appears to be characterized by a variety of different processes and genetic mechanisms, and has been reported in different geological settings. We investigated a 45 by 25 km 3D seismic dataset located in the offshore Ceará state (Brazil), imaging the submarine slope system of the Potiguar sub-basin, part of the Ceará basin. The Paleogene sequence is characterized by a series of steep canyons acting as slope-bypass systems that force the transport of sediment basinward and promote the deposition in deepwater settings. The whole area seems to be affected by gravity driven processes in the form of turbidites and hyperpycnal flows that probably are responsible of the main submarine landslides observed and of the evolution of the canyons themselves. Bottom currents seem to play a key role in shaping the margin as well, by promoting the formation of sediment ridges and fields of sediment waves. In this setting, a series of widely distributed active pockmarks are observed both at the seabed and as paleo-pockmarks in the seismic subsurface, testifying the upward fluid migration and emission along gas chimneys and conduits. Active or recent pockmark varies from tens of meters up to about 2 km in diameters and are mainly circular to elliptical. A preliminary systematic mapping of those fluid escape features shows the strong control of the chutes and pools generated by fast turbidity currents on the chimney geometry pattern and fluid conduit. This evidence may suggest that the erosional/depositional features associated to turbidite sedimentation strongly control lateral permeability variations and, consequently, the vertical fluid migration.

A galactic disk as a two-fluid system: Consequences for the critical stellar velocity dispersion and the formation of condensations in the gas

International Nuclear Information System (INIS)

Jog, C.J.; Solomon, P.M.

1984-01-01

We examine the consequences of treating a galactic disk as a two-fluid system for the stability of the entire disk and for the stability and form of the gas in the disk. We find that the existence of even a small fraction of the total disk surface density in a cold fluid (that is, the gas) makes it much harder to stabilize the entire two-fluid disk. (C/sub s/,min)/sub 2-f/, the critical stellar velocity dispersion for a two-fluid disk in an increasing function of μ/sub g//μ/sub s/, the gas fraction, and μ/sub t//kappa, where μ/sub g/, μ/sub s/, and μ/sub t/ are the gaseous, stellar, and total disk surface densities and kappa is the epicyclic frequency. In the Galaxy, we find that (C/sub s/,min)/sub 2-f/ as a function of R peaks when μ/sub t//kappa peaks-at galactocentric radii of Rapprox.5-7 kpc; two-fluid instabilities are most likely to occur in this region. This region is coincident with the peak in the molecular cloud distribution in the Galaxy. At the higher effective gas density resulting from the growth of a two-fluid instability, the gas may become unstble, even when originally the gas by itself is stable. The wavelength of a typical (induced) gas instability in the inner galaxy is approx.400 pc, and it contains approx.10 7 M/sub sun/ of interstellar matter; these instabilities may be identified with clusters of giant molecular clouds. We suggest that many of the spiral features seen in gas-rich spiral galaxies may be material arms or arm segments resulting from sheared two-fluid gravitational instabilities. The analysis presented here is applicable to any general disk galaxy consisting of stars and gas

Mesoscopic modeling of structural and thermodynamic properties of fluids confined by rough surfaces.

Science.gov (United States)

Terrón-Mejía, Ketzasmin A; López-Rendón, Roberto; Gama Goicochea, Armando

2015-10-21

The interfacial and structural properties of fluids confined by surfaces of different geometries are studied at the mesoscopic scale using dissipative particle dynamics simulations in the grand canonical ensemble. The structure of the surfaces is modeled by a simple function, which allows us to simulate readily different types of surfaces through the choice of three parameters only. The fluids we have modeled are confined either by two smooth surfaces or by symmetrically and asymmetrically structured walls. We calculate structural and thermodynamic properties such as the density, temperature and pressure profiles, as well as the interfacial tension profiles for each case and find that a structural order-disorder phase transition occurs as the degree of surface roughness increases. However, the magnitude of the interfacial tension is insensitive to the structuring of the surfaces and depends solely on the magnitude of the solid-fluid interaction. These results are important for modern nanotechnology applications, such as in the enhanced recovery of oil, and in the design of porous materials with specifically tailored properties.

Free surface flow of a suspension of rigid particles in a non-Newtonian fluid

DEFF Research Database (Denmark)

Svec, Oldrich; Skocek, Jan; Stang, Henrik

2012-01-01

A numerical framework capable of predicting the free surface flow of a suspension of rigid particles in a non-Newtonian fluid is described. The framework is a combination of the lattice Boltzmann method for fluid flow, the mass tracking algorithm for free surface representation, the immersed...

Method and apparatus for continuous fluid leak monitoring and detection in analytical instruments and instrument systems

Science.gov (United States)

Weitz, Karl K [Pasco, WA; Moore, Ronald J [West Richland, WA

2010-07-13

A method and device are disclosed that provide for detection of fluid leaks in analytical instruments and instrument systems. The leak detection device includes a collection tube, a fluid absorbing material, and a circuit that electrically couples to an indicator device. When assembled, the leak detection device detects and monitors for fluid leaks, providing a preselected response in conjunction with the indicator device when contacted by a fluid.

ALE finite volume method for free-surface Bingham plastic fluids with general curvilinear coordinates

International Nuclear Information System (INIS)

Nagai, Katsuaki; Ushijima, Satoru

2010-01-01

A numerical prediction method has been proposed to predict Bingham plastic fluids with free-surface in a two-dimensional container. Since the linear relationships between stress tensors and strain rate tensors are not assumed for non-Newtonian fluids, the liquid motions are described with Cauchy momentum equations rather than Navier-Stokes equations. The profile of a liquid surface is represented with the two-dimensional curvilinear coordinates which are represented in each computational step on the basis of the arbitrary Lagrangian-Eulerian (ALE) method. Since the volumes of the fluid cells are transiently changed in the physical space, the geometric conservation law is applied to the finite volume discretizations. As a result, it has been shown that the present method enables us to predict reasonably the Bingham plastic fluids with free-surface in a container.

ALE finite volume method for free-surface Bingham plastic fluids with general curvilinear coordinates

Science.gov (United States)

Nagai, Katsuaki; Ushijima, Satoru

2010-06-01

A numerical prediction method has been proposed to predict Bingham plastic fluids with free-surface in a two-dimensional container. Since the linear relationships between stress tensors and strain rate tensors are not assumed for non-Newtonian fluids, the liquid motions are described with Cauchy momentum equations rather than Navier-Stokes equations. The profile of a liquid surface is represented with the two-dimensional curvilinear coordinates which are represented in each computational step on the basis of the arbitrary Lagrangian-Eulerian (ALE) method. Since the volumes of the fluid cells are transiently changed in the physical space, the geometric conservation law is applied to the finite volume discretizations. As a result, it has been shown that the present method enables us to predict reasonably the Bingham plastic fluids with free-surface in a container.

Terahertz Wave Propagation in a Nanotube Conveying Fluid Taking into Account Surface Effect

Directory of Open Access Journals (Sweden)

Bo Fang

2013-06-01

Full Text Available In nanoscale structure sizes, the surface-to-bulk energy ratio is high and the surface effects must be taken into account. Surface effect plays a key role in accurately predicting the vibration behavior of nanostructures. In this paper, the wave behaviors of a single-walled carbon nanotube (CNT conveying fluid are studied. The nonlocal Timoshenko beam theory is used and the surface effect is taken into account. It is found that the fluid can flow at a very high flow velocity and the wave propagates in the terahertz frequency range. The surface effects can significantly enhance the propagating frequency. This finding is different from the classical model where the surface effect is neglected.

Effect of ion irradiation on surface morphology and superconductivity of BaFe{sub 2}(As{sub 1−x}P{sub x}){sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Daghero, D., E-mail: dario.daghero@polito.it [Dipartimento di Scienza Applicata e Tecnologia, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy); Tortello, M. [Dipartimento di Scienza Applicata e Tecnologia, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy); Gozzelino, L. [Dipartimento di Scienza Applicata e Tecnologia, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Torino, 10125 Torino (Italy); Gonnelli, R.S. [Dipartimento di Scienza Applicata e Tecnologia, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy); Hatano, T.; Kawaguchi, T.; Ikuta, H. [Department of Crystalline Materials Science, Nagoya University, Nagoya 464-8603 (Japan)

2017-02-15

Highlights: • Epitaxial films of BaFe{sub 2}(As,P){sub 2} at optimal doping on MgO substrate have been irradiated by 250 MeV Au ions with different fluences. • Irradiation induces a partial relaxation of the in-plane tensile stress typical of the pristine films. • The residual resistivity increases less than linearly with fluence, tending to saturate; the overall increase is about 60%, but the critical temperature decreases by only 2%. • These results indicate that the substrate and the reduced dimensionality of the films (as compared to the case of single crystals) play an important role in their response to irradiation. - Abstract: We have irradiated epitaxial thin films of BaFe{sub 2}(As{sub 1−x}P{sub x}){sub 2} with x ≃ 0.2 (optimal doping) with Au ions having an energy of 250 MeV. We have used two different fluences, Φ{sub 1} = 2.4 × 10{sup 11} cm{sup −2} and Φ{sub 2} = 7.3 × 10{sup 11} cm{sup −2}, and we have studied the effects of irradiation on the surface morphology, on the resistivity and on the critical temperature. We have found that irradiation progressively destroys the very clear and interconnected growth terraces typical of the pristine surface, leading first to their smoothening – accompanied by the appearance of localized defects – and then to a completely disordered surface. The residual resistivity increases by almost 60%, but the critical temperature decreases very little (i.e. by about 2%) on going from the pristine film to the most irradiated one. The possible role of the substrate in these results is discussed.

Free surface modelling with two-fluid model and reduced numerical diffusion of the interface

International Nuclear Information System (INIS)

Strubelj, Luka; Tiselj, Izrok

2008-01-01

Full text of publication follows: The free surface flows are successfully modelled with one of existing free surface models, such as: level set method, volume of fluid method (with/without surface reconstruction), front tracking, two-fluid model (two momentum equations) with modified interphase force and others. The main disadvantage of two-fluid model used for simulations of free surface flows is numerical diffusion of the interface, which can be significantly reduced using the method presented in this paper. Several techniques for reduction of numerical diffusion of the interface have been implemented in the volume of fluid model and are based on modified numerical schemes for advection of volume fraction near the interface. The same approach could be used also for two-fluid method, but according to our experience more successful reduction of numerical diffusion of the interface can be achieved with conservative level set method. Within the conservative level set method, continuity equation for volume fraction is solved and after that the numerical diffusion of the interface is reduced in such a way that the thickness of the interface is kept constant during the simulation. Reduction of the interface diffusion can be also called interface sharpening. In present paper the two-fluid model with interface sharpening is validated on Rayleigh-Taylor instability. Under assumptions of isothermal and incompressible flow of two immiscible fluids, we simulated a system with the fluid of higher density located above the fluid of smaller density in two dimensions. Due to gravity in the system, fluid with higher density moves below the fluid with smaller density. Initial condition is not a flat interface between the fluids, but a sine wave with small amplitude, which develops into a mushroom-like structure. Mushroom-like structure in simulation of Rayleigh-Taylor instability later develops to small droplets as result of numerical dispersion of interface (interface sharpening

Manipulation of fluids in three-dimensional porous photonic structures with patterned surface properties

Energy Technology Data Exchange (ETDEWEB)

Aizenberg, Joanna; Burgess, Ian; Mishchenko, Lidiya; Hatton, Benjamin; Loncar, Marko

2017-12-26

A three-dimensional porous photonic structure, whose internal pore surfaces can be provided with desired surface properties in a spatially selective manner with arbitrary patterns, and methods for making the same are described. When exposed to a fluid (e.g., via immersion or wicking), the fluid can selectively penetrate the regions of the structure with compatible surface properties. Broad applications, for example in security, encryption and document authentication, as well as in areas such as simple microfluidics and diagnostics, are anticipated.

Mass Spectrometric Determination of the Effect of Surface Deactivation on Membranes Used for In-Situ Sampling of Cerebrospinal Fluid (CSF

Directory of Open Access Journals (Sweden)

Torgny Undin

2018-05-01

Full Text Available In this paper, a strategy for structured monitoring of surface modifications to control protein adsorption to membrane structures is presented. The already established on-surface enzymatic digestion (oSED method combined with nano-liquid chromatography and tandem mass spectrometry (LC-MS/MS analysis was employed for the analysis of proteins in ventricular cerebrospinal fluid (vCSF from neurointensive care patients. Protein adsorption was studied by in-situ sampling in a temporally resolved manner on both immobilized native and Pluronic-deactivated membranes. Deactivation was significantly reducing the protein adsorption but it also induced novel selective properties of the surface. The proposed versatile strategy will facilitate protein-biomaterial, protein-polymer, protein-protein interaction studies in the future.

Passivation of the surfaces of single crystal gadolinium molybdate (Gd/sub 2/(MoO/sub 4/)/sub 3/) against attack by hydrofluoric acid by inert ion beam irradiation

Energy Technology Data Exchange (ETDEWEB)

Bhalla, A; Cross, L E; Tongson, L [Pennsylvania State Univ., University Park (USA). Materials Research Lab.

1978-01-01

The passivation effect from inert ion beam bombardment has been studied on a ferroelectric surface. The mechanism in these materials may have some additional contributions because of the polarization charges of the domains and the dipole effect (ion beam and surface species) on the surfaces. For these studies Gd/sub 2/(MoO/sub 4/)/sub 3/ (GMO) crystals were selected. Two possible mechanisms of passivation of GMO surfaces when bombarded with ion beams are discussed.

Sub-surface defect detection using transient thermography

International Nuclear Information System (INIS)

Mohd Zaki Umar; Huda Abdullah; Abdul Razak Hamzah; Wan Saffiey Wan Abdullah; Ibrahim Ahmad; Vavilov, Vladimir

2009-04-01

An experimental research had been carried out to study the potential of transient thermography in detecting sub-surface defect of non-metal material. In this research, eight pieces of bakelite material were used as samples. Each samples had a sub-surface defect in the circular shape with different diameters and depths. Experiment was conducted using one-sided Pulsed Thermal technique. Heating of samples were done using 30 k Watt adjustable quartz lamp while infra red (IR) images of samples were recorded using THV 550 IR camera. These IR images were then analysed with thermo fit TM Pro software to obtain the Maximum Absolute Differential Temperature Signal value, ΔT max and the time of its appearance, τ max (ΔT). Result showed that all defects were able to be detected even for the smallest and deepest defect (diameter = 5 mm and depth = 4 mm). However the highest value of Differential Temperature Signal (ΔT max ), were obtained at defect with the largest diameter, 20 mm and at the shallowest depth, 1 mm. As a conclusion, the sensitivity of the pulsed thermography technique to detect sub-surface defects of bakelite material is proportionately related with the size of defect diameter if the defect area at the same depth. On the contrary, the sensitivity of the pulsed thermography technique inversely related with the depth of defect if the defects have similar diameter size. (author)

Hydrogen dissociation and incorporation on Mg{sub 17}Al{sub 12}(100) surface: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Ning, Hua [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China); Zhou, Zhiyan; Zhang, Ziyan [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Zhou, Wenzheng; Li, Guangxu [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China); Guo, Jin, E-mail: guojin@gxu.edu.cn [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China)

2017-02-28

Highlights: • Hydrogen adsorption, dissociation, and penetration on (in) Mg{sub 17}Al{sub 12} (100) surface are studied. • Hydrogen molecules are dissociated on the surface with barrier of 0.63 eV. • The maximum barrier energy for atomic hydrogen penetration into the subsurface is ∼0.7 eV. • The hybridization between the s orbital of H and the s orbitals of Mg is major. - Abstract: Hydrogen adsorption, dissociation, and penetration on (in) Mg{sub 17}Al{sub 12} (100) surface are studied extensively by DFT total-energy calculations. The adsorption geometries, dissociation barriers, various diffusion pathways, penetrative processes, and electronic structures were investigated. Results show that the atomic and molecular hydrogen forms prefer to be adsorbed on the Mg3-Mg3 bridge sites (C sites). Hydrogen molecules are dissociated on the surface with the minimum barrier energy of 0.63 eV. There are two stages in the process of hydrogen incorporation, which are hydrogen diffusion on the surface and the penetration from the surface into the subsurface. Two possible pathways of atomic hydrogen penetration from surface into subsurface are found. The calculations of electronic structures show that the hybridization between the s orbital of H and the s orbitals of Mg is major. The Mg-Mg bond on the outmost surface is shortened from 4.48 Å to 3.30 Å after the hydrogen adsorption on C sites, showing the strong interaction between Mg and H atoms.

Study on the sweep gas effect on the surface of Li{sub 4}SiO{sub 4} by means of work function measurement

Energy Technology Data Exchange (ETDEWEB)

Suzuki, Atsushi; Yamaguchi, Kenji; Yamawaki, Michio [Tokyo Univ. (Japan)

1998-03-01

In the establishment of fuel cycle of tritium, it is important to make research on how the sweep gas composition affects the surface properties of breeder materials and the release of tritium from the surface of them. In this study, the change of contact potential difference (CPD) between Li{sub 4}SiO{sub 4} and Pt was measured in various gas compositions with a high temperature Kelvin probe. The work function change of Li{sub 4}SiO{sub 4} was obtained from the measured CPD and the work function change of Pt which was estimated from blank tests. From the results, the effect of oxygen deficient layer near the surface of Li{sub 4}SiO{sub 4} was observed, and the effect of OH{sup -} at the surface of Li{sub 4}SiO{sub 4} was considered. (author)

Surface modelling on heavy atom crystalline compounds: HfO{sub 2} and UO{sub 2} fluorite structures

Energy Technology Data Exchange (ETDEWEB)

Evarestov, Robert [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetsky Prospect, Peterhof, St. Petersburg 198504 (Russian Federation)], E-mail: re1973@re1973.spb.edu; Bandura, Andrei; Blokhin, Eugeny [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetsky Prospect, Peterhof, St. Petersburg 198504 (Russian Federation)

2009-01-15

The study of the bulk and surface properties of cubic (fluorite structure) HfO{sub 2} and UO{sub 2} was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO{sub 2} differ from those found for other metal oxides with the closed-shell configuration of d-electrons.

Metastability of a-SiO{sub x}:H thin films for c-Si surface passivation

Energy Technology Data Exchange (ETDEWEB)

Serenelli, L., E-mail: luca.serenelli@enea.it [ENEA Research centre “Casaccia”, via Anguillarese 301, 00123 Rome (Italy); DIET University of Rome “Sapienza”, via Eudossiana 18, 00184 Rome (Italy); Martini, L. [DIET University of Rome “Sapienza”, via Eudossiana 18, 00184 Rome (Italy); Imbimbo, L. [ENEA Research centre “Casaccia”, via Anguillarese 301, 00123 Rome (Italy); DIET University of Rome “Sapienza”, via Eudossiana 18, 00184 Rome (Italy); Asquini, R. [DIET University of Rome “Sapienza”, via Eudossiana 18, 00184 Rome (Italy); Menchini, F.; Izzi, M.; Tucci, M. [ENEA Research centre “Casaccia”, via Anguillarese 301, 00123 Rome (Italy)

2017-01-15

Highlights: • a-SiO{sub x}:H film deposition by RF-PECVD is optimized from SiH{sub 4}, CO{sub 2} and H{sub 2} gas mixture. • Metastability of a-SiO{sub x}:H/c-Si passivation is investigated under thermal annealing and UV exposure. • A correlation between passivation metastability and Si−H bonds is found by FTIR spectra. • A metastability model is proposed. - Abstract: The adoption of a-SiO{sub x}:H films obtained by PECVD in heterojunction solar cells is a key to further increase their efficiency, because of its transparency in the UV with respect to the commonly used a-Si:H. At the same time this layer must guarantee high surface passivation of the c-Si to be suitable in high efficiency solar cell manufacturing. On the other hand the application of amorphous materials like a-Si:H and SiN{sub x} on the cell frontside expose them to the mostly energetic part of the sun spectrum, leading to a metastability of their passivation properties. Moreover as for amorphous silicon, thermal annealing procedures are considered as valuable steps to enhance and stabilize thin film properties, when performed at opportune temperature. In this work we explored the reliability of a-SiO{sub x}:H thin film layers surface passivation on c-Si substrates under UV exposition, in combination with thermal annealing steps. Both p- and n-type doped c-Si substrates were considered. To understand the effect of UV light soaking we monitored the minority carriers lifetime and Si−H and Si−O bonding, by FTIR spectra, after different exposure times to light coming from a deuterium lamp, filtered to UV-A region, and focused on the sample to obtain a power density of 50 μW/cm{sup 2}. We found a certain lifetime decrease after UV light soaking in both p- and n-type c-Si passivated wafers according to a a-SiO{sub x}:H/c-Si/a-SiO{sub x}:H structure. The role of a thermal annealing, which usually enhances the as-deposited SiO{sub x} passivation properties, was furthermore considered. In

Surface chemical and photocatalytic consequences of Ca-doping of BiFeO{sub 3} as probed by XPS and H{sub 2}O{sub 2} decomposition studies

Energy Technology Data Exchange (ETDEWEB)

Zaki, Mohamed I., E-mail: mizaki@link.net [Chemistry Department, Faculty of Science, Minia University, El-Minia 61519 (Egypt); Ramadan, Wegdan [Physics Department, Faculty of Science, Alexandria University, Alexandria 21511 (Egypt); Katrib, Ali [Chemistry Department, Faculty of Science, Kuwait University, P.O. Box 5969, Safat 13060 (Kuwait); Rabee, Abdallah I.M. [Chemistry Department, Faculty of Science, Minia University, El-Minia 61519 (Egypt)

2014-10-30

Graphical abstract: - Highlights: • BiFeO{sub 3} is a modest visible-light heterogeneous photocatalyst for H{sub 2}O{sub 2} decomposition. • The ferrite activity is promoted with Ca-doping up to 10 wt%-Ca. • Favourable consequences are enhanced surface metal redoxability and oxide basicity. • Furthering doping to >10 wt%-Ca retrogresses the ferrite photocatalytic activity. • A retrogressive doping consequence is bulk phase separation of α(γ)-Fe{sub 2}O{sub 3}. - Abstract: Pure and Ca-doped Bi{sub 1−x}Ca{sub x}FeO{sub 3} samples were prepared with x = 0.0–0.2, adopting a sol–gel method. Previously reported studies performed on similarly composed and prepared samples revealed that Ca-doping, above solubility limit (namely at ≥10%-Ca), results in phase separation and formation of BiFeO{sub 3}/α(γ)-Fe{sub 2}O{sub 3} nanocomposite particles. Hetero p/n nanojunctions thus established were considered to help separating photo-generated electron–hole pairs and, therefore, explain consequent promotion of photo-Fenton catalytic activity of BiFeO{sub 3} towards methylene blue degradation in presence of H{sub 2}O{sub 2} additive. However, the encompassed decomposition of H{sub 2}O{sub 2} was not addressed. To bridge this gap of knowledge, the present investigation was designed to assess Ca-doping-effected surface chemical modifications and gauge its impact on the heterogeneous photo-/thermo-catalytic activity of BiFeO{sub 3} towards H{sub 2}O{sub 2} decomposition, by means of X-ray photoelectron spectroscopy (XPS) and H{sub 2}O{sub 2} decomposition gravimetry. XPS results revealed generation of high binding energy Bi 4f and Fe 2p states, as well as enhancement of the surface basicity, upon doping to 10%-Ca. These surface chemical consequences are rendered hardly detectable upon further increase of the dopant magnitude to 20%-Ca. In parallel, the H{sub 2}O{sub 2} decomposition activity of the ferrite, under natural visible light, is enhanced to optimize

Fermi surface in La/sub 2/CuO/sub 4-δ/ determine by positron 2D-ACAR

International Nuclear Information System (INIS)

Tanigawa, S.; Mizuhara, Y.; Hidaka, Y.; Oda, M.; Suzuki, M.; Murakami, T.

1988-01-01

The topology of the Fermi surface in La/sub 2/CuO/sub 4-δ/ is determined by two dimensional angular correlation measurements of annihilation radiations (2D-ACAR) at room temperature. The determined Fermi surface is two dimensional and has a slender electron pillar along ΓZ and two kinds of hole pillars along PX and along NN direction parallel to ΓZ, respectively. It is concluded that the Fermi surface is not a simple half filled one and this compound should be metallic at least at room temperature in the band picture

Cytochrome c interaction with hematite ({alpha}-Fe{sub 2}O{sub 3}) surfaces

Energy Technology Data Exchange (ETDEWEB)

Eggleston, Carrick M. [Department of Geology and Geophysics, University of Wyoming, Laramie, WY 82071 (United States)]. E-mail: carrick@uwyo.edu; Khare, Nidhi [Department of Geology and Geophysics, University of Wyoming, Laramie, WY 82071 (United States); Lovelace, David M. [Department of Geology and Geophysics, University of Wyoming, Laramie, WY 82071 (United States)

2006-02-15

The interaction of metalloproteins such as cytochromes with oxides is of interest for a number of reasons, including molecular catalysis of environmentally important mineral-solution electron transfer reactions (e.g., dehalogenations) and photovoltaic applications. Iron reduction by bacteria, thought to be cytochrome mediated, is of interest for geochemical and environmental remediation reasons. As a baseline for understanding cytochrome interaction with ferric oxide surfaces, we report on the interaction of mitochondrial cytochrome c (Mcc), a well-studied protein, with hematite ({alpha}-Fe{sub 2}O{sub 3}) surfaces. Mcc sorbs strongly to hematite from aqueous solution in a narrow pH range corresponding to opposite charge on Mcc and hematite (between pH 8.5 and 10, Mcc is positively charged and hematite surfaces are negatively charged). Cyclic voltammetry of Mcc using hematite electrodes gives redox potentials characteristic of Mcc in a native conformational state, with no evidence for unfolding on the hematite surface. Atomic force microscopy imaging is consistent with a loosely attached adsorbate that is easily deformed by the AFM tip. In phosphate-containing solution, Mcc adhers to the surface more strongly. These results establish hematite as a viable material for electrochemical and spectroscopic characterization of cytochrome-mineral interaction.

Noise method for monitoring the sub-criticality in accelerator driven systems

International Nuclear Information System (INIS)

Rugama, Y.; Munoz-Cobo, J.L.; Valentine, T.E.; Mihalczo, J.T.; Perez, R.B.; Perez-Navarro, A.

2001-01-01

In this paper, an absolute measurements technique for the sub-criticality determination is presented. The development of ADS, requires of methods to monitor and control the sub-criticality of this kind of systems, without interfering it's normal operation mode. This method is based on the Stochastic Neutron and Photon Transport Theory developed by Munoz-Cobo et al., and which can be implemented in presently available neutron transport codes. As a by-product of the methodology a monitoring measurement technique has been developed and verified using two coupled Monte Carlo programs. The spallation collisions and the high-energy transport are simulated with LAHET. The neutrons transports with energies less than 20 MeV and the estimation of the count statistics for neutron and/or gamma ray counters in fissile systems, is simulated with MCNP-DSP. It is possible to get the kinetics parameters and the k eff value of the sub-critical system through the analysis of the counter detectors. (author)

Surface passivation of Fe{sub 3}O{sub 4} nanoparticles with Al{sub 2}O{sub 3} via atomic layer deposition in a rotating fluidized bed reactor

Energy Technology Data Exchange (ETDEWEB)

Duan, Chen-Long; Deng, Zhang; Cao, Kun [State Key Laboratory of Digital Manufacturing Equipment and Technology, School of Mechanical Science and Engineering, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan, Hubei 430074 (China); Yin, Hong-Feng [Ningbo Institute of Material Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Shan, Bin [State Key Laboratory of Material Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan, Hubei 430074 (China); Chen, Rong, E-mail: rongchen@mail.hust.edu.cn [State Key Laboratory of Digital Manufacturing Equipment and Technology, School of Mechanical Science and Engineering, School of Optical and Electronic Information, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan, Hubei 430074 (China)

2016-07-15

Iron(II,III) oxide (Fe{sub 3}O{sub 4}) nanoparticles have shown great promise in many magnetic-related applications such as magnetic resonance imaging, hyperthermia treatment, and targeted drug delivery. Nevertheless, these nanoparticles are vulnerable to oxidation and magnetization loss under ambient conditions, and passivation is usually required for practical applications. In this work, a home-built rotating fluidized bed (RFB) atomic layer deposition (ALD) reactor was employed to form dense and uniform nanoscale Al{sub 2}O{sub 3} passivation layers on Fe{sub 3}O{sub 4} nanoparticles. The RFB reactor facilitated the precursor diffusion in the particle bed and intensified the dynamic dismantling of soft agglomerates, exposing every surface reactive site to precursor gases. With the aid of in situ mass spectroscopy, it was found that a thicker fluidization bed formed by larger amount of particles increased the residence time of precursors. The prolonged residence time allowed more thorough interactions between the particle surfaces and the precursor gas, resulting in an improvement of the precursor utilization from 78% to nearly 100%, even under a high precursor feeding rate. Uniform passivation layers around the magnetic cores were demonstrated by both transmission electron microscopy and the statistical analysis of Al mass concentrations. Individual particles were coated instead of the soft agglomerates, as was validated by the specific surface area analysis and particle size distribution. The results of thermogravimetric analysis suggested that 5 nm-thick ultrathin Al{sub 2}O{sub 3} coatings could effectively protect the Fe{sub 3}O{sub 4} nanoparticles from oxidation. The x-ray diffraction patterns also showed that the magnetic core crystallinity of such passivated nanoparticles could be well preserved under accelerated oxidation conditions. The precise thickness control via ALD maintained the saturation magnetization at 66.7 emu/g with a 5 nm-thick Al{sub

Dissociation of N{sub 2}O on anatase TiO{sub 2} (001) surface – The effect of oxygen vacancy and presence of Ag cluster

Energy Technology Data Exchange (ETDEWEB)

Sowmiya, M.; Senthilkumar, K., E-mail: ksenthil@buc.edu.in

2016-12-15

Highlights: • This study elucidates the dissociation of N{sub 2}O on anatase TiO{sub 2} (001) surface. • N{sub 2}O is decomposed into N{sub 2} and O on reduced TiO{sub 2} even in the presence of Ag cluster. • Excess charge in reduced TiO{sub 2} surface is transferred to the adsorbed N{sub 2}O molecule. • The vibrational frequency analysis also performed to study the dissociation of N{sub 2}O. • Anatase TiO{sub 2} with oxygen vacancies is a suitable catalyst for decomposition of N{sub 2}O. - Abstract: The increase in concentration of nitrous oxide (N{sub 2}O) in the atmosphere is one of the major contributors to the greenhouse effect, ozone depletion and climate change. Therefore, it is important to decompose harmful N{sub 2}O molecule into harmless N{sub 2}. In the present work, we have studied the decomposition of N{sub 2}O on anatase TiO{sub 2} (001) surface using first principle calculations. The results indicates that the N{sub 2}O molecule is physisorbed on perfect TiO{sub 2} surface without any dissociation, and is dissociated into N{sub 2} and oxygen on the reduced TiO{sub 2} surface. In addition, it has been found that the interaction between N{sub 2}O and TiO{sub 2} is augmented by the presence of Ag cluster on anatase (001) surface. On the basis of Bader charge analysis and electron density difference plot, it has been found that the excess charge in the reduced anatase TiO{sub 2} (001) surface is transferred to the adsorbed N{sub 2}O molecule, which results the weakening of N–O bond of N{sub 2}O followed by the decomposition of N{sub 2}O into N{sub 2} and O. Vibrational frequency analysis also performed to confirm the decomposition of N{sub 2}O molecule. From the pathway for N{sub 2}O dissociation on reduced TiO{sub 2} and Ag/TiO{sub 2} surfaces, it has been observed that the dissociation reaction of N{sub 2}O on TiO{sub 2} surface is highly exothermic with activation energy barrier of 0.25 eV. The results presented in this work show that the

The preparation and graphene surface coating NaTi{sub 2}(PO{sub 4}){sub 3} as cathode material for lithium ion batteries

Energy Technology Data Exchange (ETDEWEB)

Li, Na; Wang, Yanping; Rao, Richuan; Dong, Xiongzi [Department of Chemical and Chemical Engineering, Hefei normal University, Hefei, Anhui 230601 (China); Zhang, Xianwen, E-mail: 18326056237@163.com [Institute of Advanced Energy Technology & Equipment, Hefei University of Technology, 193 Tunxi Road, Hefei, Anhui 230009 (China); Zhu, Sane, E-mail: sdjnlina@163.com [Department of Chemistry and Materials Engineering, Hefei University, Hefei, Anhui 230601 (China)

2017-03-31

Graphical abstract: The NaTi{sub 2}(PO{sub 4}){sub 3}/graphene composite is used directly as cathode electrode material for lithium-ion battery by using metal lithium as an anode electrode. Meanwhile, the electrochemical properties of the composite in this system is firstly studied in detail. The NaTi{sub 2}(PO{sub 4}){sub 3}/graphene composite exhibits the better rate and cyclic performance than NaTi{sub 2}(PO{sub 4}){sub 3}, which is ascribed to its stable 3-D framework and the enhanced electronic conduction resulting from the graphene sheets surface modification. - Highlights: • The graphene coated NaTi{sub 2}(PO{sub 4}){sub 3} was prepared by a simple sol-gel method followed by calcination. • The electrochemical properties of the NaTi{sub 2}(PO{sub 4}){sub 3}/graphene composite was firstly studied in detail when used as cathode electrode material for lithium-ion batteries. • The electrochemical reaction mechanism of NaTi{sub 2}(PO{sub 4}){sub 3}/graphene composite was investigated by ex situ XRD. - Abstract: The graphene coated NaTi{sub 2}(PO{sub 4}){sub 3} has been fabricated via a simple sol-gel process followed by calcination. The NaTi{sub 2}(PO{sub 4}){sub 3}/graphene (NTP/G) composite is used directly as cathode electrode material for lithium-ion battery and the electrochemical properties of the composite in this system is firstly studied in detail. In the charge-discharge process, two Li{sup +} can occupy octahedral M (2) site and be reversibly intercalated into the 3D framework of NTP through the ion conduction channel where almost all of Na{sup +} are immobilized to sustain the framework. At 5C rate, the capacity retention of the NTP/G composite after 800 cycles is still up to 82.7%. The superior electrochemical properties of NTP/G is ascribed to its stable 3-D framework and the enhanced electronic conduction resulting from the graphene sheets surface modification.

Unraveling the role of support surface hydroxyls and its effect on the selectivity of C{sub 2} species over Rh/γ-Al{sub 2}O{sub 3} catalyst in syngas conversion: A theoretical study

Energy Technology Data Exchange (ETDEWEB)

Zhang, Riguang; Duan, Tian; Wang, Baojun, E-mail: wangbaojun@tyut.edu.cn; Ling, Lixia

2016-08-30

Highlights: • The selectivity toward CH{sub x} (x = 1–3) depends on γ-Al{sub 2}O{sub 3} support and its surface properties. • Rh/γ-Al{sub 2}O{sub 3} catalyst exhibits the higher selectivity toward CH{sub x} (x = 1,2) formation from syngas. • C{sub 2} species (C{sub 2}H{sub 2},CHCO,CH{sub 2}CHO) are the main products on Rh/γ-Al{sub 2}O{sub 3} catalyst. • γ-Al{sub 2}O{sub 3} surface hydroxyls affect the selectivity of C{sub 2} species over Rh/γ-Al{sub 2}O{sub 3} catalyst. - Abstract: The supported Rh-based catalysts exhibit the excellent catalytic performances for syngas conversion to C{sub 2} species. In this study, all possible elementary steps leading to C{sub 2} species from syngas have been explored to identify the role of support and its surface hydroxyls over Rh/γ-Al{sub 2}O{sub 3} catalyst; Here, the results are obtained using density functional theory (DFT) method. Two models: Rh4 cluster supported on the dry γ-Al{sub 2}O{sub 3}(110) surface, D(Rh4), and on the hydroxylated γ-Al{sub 2}O{sub 3}(110) surface, H(Rh4), have been used to model Rh/γ-Al{sub 2}O{sub 3} catalyst. Our results show that CO prefers to be hydrogenated to CHO, subsequently, starting from CHO species, CH and CH{sub 2} species are the dominate monomers among CH{sub x}(x = 1–3) species rather than CH{sub 3} and CH{sub 3}OH on D(Rh4) and H(Rh4) surfaces, suggesting that γ-Al{sub 2}O{sub 3}-supported Rh catalyst exhibits the high selectivity towards CH{sub x} formation compared to the pure Rh catalyst. On the other hand, D(Rh4) is more favorable for C{sub 2} hydrocarbon (C{sub 2}H{sub 2}) formation, whereas H(Rh4) surface easily produces C{sub 2} hydrocarbon (C{sub 2}H{sub 2}) and C{sub 2} oxygenates (CHCO,CH{sub 2}CHO), indicating that the surface hydroxyls of support can affect the selectivity of C{sub 2} species over Rh/γ-Al{sub 2}O{sub 3} catalyst in syngas conversion. Moreover, compared to the pure Rh(111) surface, Rh/γ-Al{sub 2}O{sub 3} catalyst can achieve the

Accurate fluid force measurement based on control surface integration

Science.gov (United States)

Lentink, David

2018-01-01

Nonintrusive 3D fluid force measurements are still challenging to conduct accurately for freely moving animals, vehicles, and deforming objects. Two techniques, 3D particle image velocimetry (PIV) and a new technique, the aerodynamic force platform (AFP), address this. Both rely on the control volume integral for momentum; whereas PIV requires numerical integration of flow fields, the AFP performs the integration mechanically based on rigid walls that form the control surface. The accuracy of both PIV and AFP measurements based on the control surface integration is thought to hinge on determining the unsteady body force associated with the acceleration of the volume of displaced fluid. Here, I introduce a set of non-dimensional error ratios to show which fluid and body parameters make the error negligible. The unsteady body force is insignificant in all conditions where the average density of the body is much greater than the density of the fluid, e.g., in gas. Whenever a strongly deforming body experiences significant buoyancy and acceleration, the error is significant. Remarkably, this error can be entirely corrected for with an exact factor provided that the body has a sufficiently homogenous density or acceleration distribution, which is common in liquids. The correction factor for omitting the unsteady body force, {{{ {ρ f}} {1 - {ρ f} ( {{ρ b}+{ρ f}} )}.{( {{{{ρ }}b}+{ρ f}} )}}} , depends only on the fluid, {ρ f}, and body, {{ρ }}b, density. Whereas these straightforward solutions work even at the liquid-gas interface in a significant number of cases, they do not work for generalized bodies undergoing buoyancy in combination with appreciable body density inhomogeneity, volume change (PIV), or volume rate-of-change (PIV and AFP). In these less common cases, the 3D body shape needs to be measured and resolved in time and space to estimate the unsteady body force. The analysis shows that accounting for the unsteady body force is straightforward to non

Optical and electrical characterization of n-GaAs surfaces passivated by N{sub 2}-H{sub 2} plasma

Energy Technology Data Exchange (ETDEWEB)

Augelli, V.; Ligonzo, T.; Minafra, A.; Schiavulli, L.; Capozzi, V. E-mail: capozzi@ba.infn.it; Perna, G.; Ambrico, M.; Losurdo, M

2003-05-01

The passivation of GaAs (1 0 0) surface has been performed by using remote N{sub 2}-H{sub 2} (3% in H{sub 2}) RF plasma nitridation. The samples, consisting of n-doped GaAs wafers, show photoluminescence enhancement when the nitridation time and exposure to the plasma are in a narrow temporal window, so that a very thin (about 10 A) GaN layer is deposited on the GaAs surface. Pure N{sub 2} nitridation does not provide an efficient passivation, because it results in GaN layers with As and AsN{sub x} segregation at the GaN/GaAs interface. Increase of Au-GaAs Schottky barrier with the insertion of GaN interlayer and improvement of current-voltage characteristic have been observed.

High field surface magnetic study of Fe{sub 3}O{sub 4} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Kihal, A. [Laboratoire de Magnetisme et Spectroscopie des Solides (LM2S), Universite Badji Mokhtar, BP-12 Annaba (Algeria); LNCMI-G, CNRS-UJF, 25 Rue des Martyrs, BP-166, 38042 Grenoble-Cedex 9 (France); Fillion, G. [LNCMI-G, CNRS-UJF, 25 Rue des Martyrs, BP-166, 38042 Grenoble-Cedex 9 (France); Bouzabata, B. [Laboratoire de Magnetisme et Spectroscopie des Solides (LM2S), Universite Badji Mokhtar, BP-12 Annaba (Algeria); Barbara, B. [Institut Neel, CNRS-UJF, 25 Rue des Martyrs, BP-166, 38042 Grenoble-Cedex 9 (France)

2012-03-15

Magnetic properties of magnetite (Fe{sub 3}O{sub 4}) powders, milled for various times up to 15 h, are studied by magnetization measurements. For the starting powder, like in the bulk single crystal, the approach to magnetic saturation is mainly ruled by the usual 1/H and 1/H{sup 2} terms. But for the milled samples, as the grain size decreases, a 1/H{sup 1/2} term rises as the leading term and is interpreted in the framework of the theory of Chudnovsky et al. accounting for the effect of a random anisotropy generated near the surface, aside from a large constant high field susceptibility related to the canted spins at the surface. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

First-principles study of magnetic properties of stoichiometric and O deficient low-index surfaces of rutile SnO{sub 2} and TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Han, Ruilin; Yang, Hui [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China); Wang, Dingdi [Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong (China); Du, Xiaobo [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China); Yan, Yu, E-mail: yanyu@jlu.edu.cn [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China)

2015-01-15

In consideration of experimental evidences of O vacancies or/and surface state as the possible origin of d{sup 0} ferromagnetism in SnO{sub 2} and TiO{sub 2}, the electronic structure and magnetic properties of stoichiometric and O deficient (110), (100), (101) and (001) surfaces of rutile SnO{sub 2} and TiO{sub 2} are investigated using first-principles calculations. The calculations show that the stoichiometric (110), (100), (101) and (001) surfaces of rutile SnO{sub 2} and TiO{sub 2} are nonmagnetic. The O vacancy at these low-index surfaces of SnO{sub 2} do not induce magnetic moment due to extended character of 5s and 5p orbitals of the reduced Sn atom, while the vacancy at the low-index surfaces of TiO{sub 2} produce spin splitting defect states in the band gap, resulting in the formation of magnetic moment of 2.0 μ{sub B}. The induced magnetic moment by surface O vacancy is mainly contributed by partially filled 3d orbitals of the reduced Ti atoms. It is noticed that the magnetic coupling between magnetic moments induced by two O vacancies at the low-index surfaces of rutile TiO{sub 2} are long-range ferromagnetic, which can be explained by the overlap of spin density around the common Ti or O atoms among reduced Ti atoms produced by two O vacancies. - Highlights: • Surface O vacancy does not induce magnetic moment in SnO{sub 2}. • Coupling between the moments induced by O vacancies at surfaces of TiO{sub 2} is ferromagnetic. • d{sup 0} ferromagnetism of TiO{sub 2} can be attributed to surface O vacancy.

Investigating the influence of long-range transport on surface O{sub 3} in Nevada, USA, using observations from multiple measurement platforms

Energy Technology Data Exchange (ETDEWEB)

Fine, Rebekka, E-mail: rebekkafine@gmail.com [Department of Natural Resources and Environmental Science, University of Nevada-Reno, Reno, NV (United States); Miller, Matthieu B. [Department of Natural Resources and Environmental Science, University of Nevada-Reno, Reno, NV (United States); Yates, Emma L.; Iraci, Laura T. [Atmospheric Science Branch, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Gustin, Mae Sexauer, E-mail: mgustin@cabnr.unr.edu [Department of Natural Resources and Environmental Science, University of Nevada-Reno, Reno, NV (United States)

2015-10-15

The current United States (US) National Ambient Air Quality Standard (NAAQS) for O{sub 3} (75 ppb) is expected to be revised to between 60 and 70 ppb. As the NAAQS becomes more stringent, characterizing the extent of O{sub 3} and precursors transported into the US is increasingly important. Given the high elevation, complex terrain, and location in the Intermountain West, the State of Nevada is ideally situated to intercept air transported into the US. Until recently, measurements of O{sub 3} and associated pollutants were limited to areas in and around the cities of Las Vegas and Reno. In 2011, the Nevada Rural Ozone Initiative began and through this project 13 surface monitoring sites were established. Also in 2011, the NASA Ames Alpha Jet Atmospheric eXperiment (AJAX) began making routine aircraft measurements of O{sub 3} and other greenhouse gases in Nevada. The availability of aircraft and surface measurements in a relatively rural, remote setting in the Intermountain West presented a unique opportunity to investigate sources contributing to the O{sub 3} observed in Nevada. Our analyses indicate that stratosphere to troposphere transport, long-range transport of Asian pollution, and regional emissions from urban areas and wildfires influence surface observations. The complexity of sources identified here along with the fact that O{sub 3} frequently approaches the threshold being considered for a revised NAAQS indicate that interstate and international cooperation will be necessary to achieve compliance with a more stringent regulatory standard. Further, on a seasonal basis we found no significant difference between daily 1-h maximum O{sub 3} at surface sites, which ranged in elevation from 888 to 2307 m, and aircraft measurements of O{sub 3} < 2500 m which suggests that similar processes influence daytime O{sub 3} across rural Nevada and indicates that column measurements from Railroad Valley, NV are useful in understanding these processes. - Highlights: �

Surface structure of alpha-Fe sub 2 O sub 3 nanocrystal observed by O K-edge X-ray absorption spectroscopy

CERN Document Server

Zhang, J; Ibrahim, K; Abbas, M I; Ju, X

2003-01-01

X-ray absorption near edge structure (XANES) spectra is used as a probe of surface structure of alpha-Fe sub 2 O sub 3 nanocrystal, prepared by sol-gel method. We present O K-edge XANES of alpha-Fe sub 2 O sub 3 in nanocrystal and bulk by total electron yield at the photoemission station of Beijing Synchrotron Radiation Facility. The spectrum of alpha-Fe sub 2 O sub 3 shows a splitting of the pre-edge structure, which is interpreted as two subsets of Fe 3d t sub 2 sub g and e sub g orbitals in oxygen octahedral (O sub h) crystal field, and is also sensitive to long-range order effects. However, no distinguishable splitting of the pre-edge peak of nanocrystal alpha-Fe sub 2 O sub 3 is observed. This suggests that there exists the distorted octahedral coordination around Fe sites and also the long-range disorder due to the surface as compared with bulk alpha-Fe sub 2 O sub 3.

Surface capillary currents: Rediscovery of fluid-structure interaction by forced evolving boundary theory

Science.gov (United States)

Wang, Chunbai; Mitra, Ambar K.

2016-01-01

Any boundary surface evolving in viscous fluid is driven with surface capillary currents. By step function defined for the fluid-structure interface, surface currents are found near a flat wall in a logarithmic form. The general flat-plate boundary layer is demonstrated through the interface kinematics. The dynamics analysis elucidates the relationship of the surface currents with the adhering region as well as the no-slip boundary condition. The wall skin friction coefficient, displacement thickness, and the logarithmic velocity-defect law of the smooth flat-plate boundary-layer flow are derived with the advent of the forced evolving boundary method. This fundamental theory has wide applications in applied science and engineering.

Therapeutic mechanism of treating SMMC-7721 liver cancer cells with magnetic fluid hyperthermia using Fe{sub 2}O{sub 3} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Yan, S.Y.; Chen, M.M.; Fan, J.G.; Wang, Y.Q.; Hu, Y.; Xu, L.M., E-mail: leiming.xu@aliyun.com.cn, E-mail: huying@sohu.com [Department of Gastroenterology, Xinhua Hospital, Shanghai Jiaotong University School of Medicine, Shanghai (China); Du, Y.Q. [Department of Pathology, Cancer Hospital, Fudan University, Shanghai (China)

2014-11-15

This study aimed to investigate the therapeutic mechanism of treating SMMC-7721 liver cancer cells with magnetic fluid hyperthermia (MFH) using Fe{sub 2}O{sub 3} nanoparticles. Hepatocarcinoma SMMC-7721 cells cultured in vitro were treated with ferrofluid containing Fe{sub 2}O{sub 3} nanoparticles and irradiated with an alternating radio frequency magnetic field. The influence of the treatment on the cells was examined by inverted microscopy, MTT and flow cytometry. To study the therapeutic mechanism of the Fe{sub 2}O{sub 3} MFH, Hsp70, Bax, Bcl-2 and p53 were detected by immunocytochemistry and reverse transcription polymerase chain reaction (RT-PCR). It was shown that Fe{sub 2}O{sub 3} MFH could cause cellular necrosis, induce cellular apoptosis, and significantly inhibit cellular growth, all of which appeared to be dependent on the concentration of the Fe{sub 2}O{sub 3} nanoparticles. Immunocytochemistry results showed that MFH could induce high expression of Hsp70 and Bax, decrease the expression of mutant p53, and had little effect on Bcl-2. RT-PCR indicated that Hsp70 expression was high in the early stage of MFH (,24 h) and became low or absent after 24 h of MFH treatment. It can be concluded that Fe{sub 2}O{sub 3} MFH significantly inhibited the proliferation of in vitro cultured liver cancer cells (SMMC-7721), induced cell apoptosis and arrested the cell cycle at the G2/M phase. Fe{sub 2}O{sub 3} MFH can induce high Hsp70 expression at an early stage, enhance the expression of Bax, and decrease the expression of mutant p53, which promotes the apoptosis of tumor cells. (author)

Surface functionalized Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloyed nanostructure for DNA sensing

Energy Technology Data Exchange (ETDEWEB)

Ibraheam, A.S.; Voon, C.H.; Foo, K.L.; Azizah, N. [University Malaysia Perlis, Institute of Nano Electronic Engineering, Kangar, Perlis (Malaysia); Al-Douri, Y. [University of Sidi-Bel-Abbes, Physics Department, Faculty of Science, Sidi Bel-Abbes (Algeria); Gopinath, S.C.B. [University Malaysia Perlis, Institute of Nano Electronic Engineering, Kangar, Perlis (Malaysia); Universiti Malaysia Perlis, School of Bioprocess Engineering, Arau, Perlis (Malaysia); Ameri, M. [Universite Djilali Liabes de Sidi Bel-Abbes, Laboratoire Physico-Chimie des Materiaux Avances (LPCMA), Sidi Bel-Abbes (Algeria); Ibrahim, Sattar S. [University of Anbar, Chemisty Department, College of Science, Al Rumadi (Iraq)

2017-03-15

A sensing plate of extended Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloy nanostructures, fabricated on an oxidized silicon substrate by the sol-gel method, is reported in this paper. The fabricated device was characterized and analyzed via field emission-scanning electron microscopy, X-ray diffraction (XRD), and photoluminescence (PL). The XRD peaks shifted towards the lower angle side alongside increasing concentration of cadmium. The average diameter of the Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloy nanostructures falls between 21.55 and 43.12 nm, while the shift of the PL bandgap was from 1.81 eV (x = 0) to 1.72 eV (x = 1). The resulting Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloy nanostructures components were functionalized with oligonucleotides probe DNA molecules and interacted with the target, exhibiting good sensing capabilities due to its large surface-to-volume ratio. The fabrication, immobilization, and hybridization processes were analyzed via representative current-voltage (I-V) plots. Its electrical profile shows that the device is capable to distinguish biomolecules. Its high performance was evident from the linear relationship between the probe DNA from cervical cancer and the target DNA, showing its applicability for medical applications. (orig.)

Global Ocean Surface Water Partial Pressure of CO<sub>2sub> Database: Measurements Performed During 1968-2007 (Version 2007)

Energy Technology Data Exchange (ETDEWEB)

Kozyr, Alex [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Carbon Dioxide Information Analysis Center

2008-09-30

More than 4.1 million measurements of surface water partial pressure of CO<sub>2sub> obtained over the global oceans during 1968-2007 are listed in the Lamont-Doherty Earth Observatory (LDEO) database, which includes open ocean and coastal water measurements. The data assembled include only those measured by equilibrator-CO<sub>2sub> analyzer systems and have been quality-controlled based on the stability of the system performance, the reliability of calibrations for CO<sub>2sub> analysis, and the internal consistency of data. To allow re-examination of the data in the future, a number of measured parameters relevant to pCO<sub>2sub> measurements are listed. The overall uncertainty for the pCO<sub>2sub> values listed is estimated to be ± 2.5 µatm on the average. For simplicity and for ease of reference, this version is referred to as 2007, meaning that data collected through 31 December 2007 has been included. It is our intention to update this database annually. There are 37 new cruise/ship files in this update. In addition, some editing has been performed on existing files so this should be considered a V2007 file. Also we have added a column reporting the partial pressure of CO<sub>2sub> in seawater in units of Pascals. The data presented in this database include the analyses of partial pressure of CO<sub>2sub> (pCO<sub>2sub>), sea surface temperature (SST), sea surface salinity (SSS), pressure of the equilibration, and barometric pressure in the outside air from the ship’s observation system. The global pCO<sub>2sub> data set is available free of charge as a numeric data package (NDP) from the Carbon Dioxide Information Analysis Center (CDIAC). The NDP consists of the oceanographic data files and this printed documentation, which describes the procedures and methods used to obtain the data.

High-resolution seismic survey for the characterization of planned PIER-ICDP fluid-monitoring sites in the Eger Rift zone

Science.gov (United States)

Simon, H.; Buske, S.

2017-12-01

The Eger Rift zone (Czech Republic) is a intra-continental non-volcanic region and is characterized by outstanding geodynamic activities, which result in earthquake swarms and significant CO2 emanations. Because fluid-induced stress can trigger earthquake swarms, both natural phenomena are probably related to each other. The epicentres of the earthquake swarms cluster at the northern edge of the Cheb Basin. Although the location of the cluster coincides with the major Mariánské-Lázně Fault Zone (MLFZ) the strike of the focal plane indicates another fault zone, the N-S trending Počátky-Plesná Zone (PPZ). Isotopic analysis of the CO2-rich fluids revealed a significant portion of upper mantle derived components, hence a magmatic fluid source in the upper mantle was postulated. Because of these phenomena, the Eger Rift area is a unique site for interdisciplinary drilling programs to study the fluid-earthquake interaction. The ICDP project PIER (Probing of Intra-continental magmatic activity: drilling the Eger Rift) will set up an observatory, consisting of five monitoring boreholes. In preparation for the drilling, the goal of the seismic survey is the characterization of the projected fluid-monitoring drill site at the CO2 degassing mofette field near Hartoušov. This will be achieved by a 6 km long profile with dense source and receiver spacing. The W-E trending profile will cross the proposed drill site and the surface traces of MLFZ and PPZ. The outcome of the seismic survey will be a high-resolution structural image of potential reflectors related to these fault zones. This will be achieved by the application of advanced pre-stack depth migration methods and a detailed P-wave velocity distribution of the area obtained from first arrival tomography. During interpretation of the seismic data, a geoelectrical resistivity model, acquired along the same profile line, will provide important constraints, especially with respect to fluid pathways.

DFT study of oxygen adsorption on Mo{sub 2}C(001) and (201) surfaces at different conditions

Energy Technology Data Exchange (ETDEWEB)

Cheng, Lihong, E-mail: chenglihong001@126.com [School of Materials and Mechanical & Electrical Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013, Jiangxi (China); Li, Wenkui; Chen, Zhiqin; Ai, Jianping; Zhou, Zehua [School of Materials and Mechanical & Electrical Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013, Jiangxi (China); Liu, Jianwen, E-mail: liujw@nsccsz.gov.cn [National Supercomputing Center in Shenzhen, Shenzhen 518055 (China)

2017-07-31

Highlights: • O adsorption manners on Mo{sub 2}C surfaces were calculated by DFT method. • Stable oxygen adsorption states and coverage were identified at given T and p. • O{sub 2} results in full oxidation while H{sub 2}O and CO{sub 2} cause partial oxidation of Mo{sub 2}C surfaces. • Hydrogen could be used to avoid Mo{sub 2}C surface oxidation. - Abstract: Density functional theory (DFT) calculations were performed to investigate oxygen adsorption on Mo{sub 2}C(001) and (201)surfaces at different coverage. The energies and structures of oxygen from lowest to saturated coverages were clearly identified on each surface. Thermodynamics method was introduced to reveal the roles of temperature, pressure as well as oxygen sources (O{sub 2}, H{sub 2}O and CO{sub 2}) on the surface oxygen coverage, which is related to the surface oxidation. On the basis of phase diagram, we can easily identify the stable oxygen coverage at different defined conditions. In addition, it reveals that O{sub 2} is the strongest oxidant, which results in the full coverage of oxygen on both surfaces in a wide range of temperature and pressure. Then, H{sub 2}O and CO{sub 2} are weaker oxidants, which could only cause partial oxidation of Mo{sub 2}C surfaces. These results indicate the facile oxidation of Mo{sub 2}C catalyst. The possible ways to avoid surface oxidation are keeping higher temperature and H{sub 2} pressure in the gas phase.

Body fluid markers to monitor multiple sclerosis: The assays and the challenges

NARCIS (Netherlands)

Laman, J.D.; Thompson, E.J.; Kappos, L.

1998-01-01

The need for reliable markers of disease activity in multiple sclerosis (MS) to better guide basic research, diagnosis, treatment, and monitoring of therapy is well-recognized. A recent European Charcot Foundation Symposium (Body fluid markers for course and activity of disease in multiple sclerosis

The preparation, surface structure, zeta potential, surface charge density and photocatalytic activity of TiO{sub 2} nanostructures of different shapes

Energy Technology Data Exchange (ETDEWEB)

Grover, Inderpreet Singh; Singh, Satnam; Pal, Bonamali, E-mail: bpal@thapar.edu

2013-09-01

Titania based nanocatalysts such as sodium titanates of different morphology having superior surface properties are getting wide importance in photocatalysis research. Despite having sodium (Na) contents and its high temperature synthesis (that generally deteriorate the photoreactivity), these Na-titanates often exhibit better photoactivity than P25-TiO{sub 2} catalyst. Hence, this work demonstrated the influence of crystal structure, BET surface area, surface charge, zeta potential (ζ) and metal loading on the photocatalytic activity of as-prepared sodium titanate nanotube (TNT) and titania nanorod (TNR). Straw like hollow orthorhombic-TNT (Na{sub 2}Ti{sub 2}O{sub 5}·H{sub 2}O) particles (W = 9–12 nm and L = 82–115 nm) and rice like pure anatase-TNR particles (W = 8–13 nm and L = 81–134 nm) are obtained by the hydrothermal treatment of P25-TiO{sub 2} with NaOH, which in fact, altered the net surface charge of TNT and TNR particles. The observed ζ = −2.82 (P25-TiO{sub 2}), −13.5 (TNT) and −22.5 mV (TNR) are significantly altered by the Ag and Cu deposition. It has been found here that TNT displayed best photocatalytic activity for the imidacloprid insecticide (C{sub 9}H{sub 10}ClN{sub 5}O{sub 2}) degradation to CO{sub 2} formation under UV irradiation because of its largest surface area 176 m{sup 2} g{sup −1} among the catalysts studied.

Fracture surface analysis on nano-SiO{sub 2}/epoxy composite

Energy Technology Data Exchange (ETDEWEB)

Zhao Rongguo [Institute of Fundamental Mechanics and Material Engineering, Xiangtan University, Hunan 411105 (China); Key Laboratory of Low Dimensional Materials and Application Technology, Xiangtan University, Ministry of Education, Hunan 411105 (China)], E-mail: zhaorongguo@xtu.edu.cn; Luo Wenbo [Institute of Fundamental Mechanics and Material Engineering, Xiangtan University, Hunan 411105 (China); Key Laboratory of Low Dimensional Materials and Application Technology, Xiangtan University, Ministry of Education, Hunan 411105 (China)

2008-06-15

Fracture surface morphologies of nano-SiO{sub 2}/epoxy composite with different weight percentage of SiO{sub 2} are investigated using scanning electron microscopy. Two types of curing agent, dimethylbenzanthracene (DMBA) and methyltetrahydrophthalic anhydride (MeTHPA), are individually used for preparing the composites. It is found that the fracture surface morphology of the composite cured by DMBA shows as radial striations, which suggests a rapid brittle fracture mode, while the fracture surface morphology of the composite cured by MeTHPA shows as regularly spaced 'rib' markings, which indicates a stick-slip motion during the fracture process. Furthermore, the uniaxial tensile behavior under constant loading rate and ambient temperature are investigated. It is shown that the elastic modulus of the composite cured by DMBA firstly increases, and then decreases with the mass fraction of nano-SiO{sub 2} particles, but the elongation of the composite cured by MeTHPA is reversed with increasing fraction of nano-SiO{sub 2} particles. For nano-SiO{sub 2}/epoxy composite cured with MeTHPA that possesses a suitable fraction of nano-SiO{sub 2}, an excellent synthetic mechanical property on elastic modulus and elongation is obtained.

In situ hydrothermal synthesis of g-C{sub 3}N{sub 4}/TiO{sub 2} heterojunction photocatalysts with high specific surface area for Rhodamine B degradation

Energy Technology Data Exchange (ETDEWEB)

Hao, Ruirui [Hubei Key Laboratory of Pollutant Analysis and Reuse Technology, Institute for Advanced Materials, College of Chemistry and Chemical Engineering, Hubei Normal University, Huangshi 435002 (China); Wang, Guohong, E-mail: wanggh2003@163.com [Hubei Key Laboratory of Pollutant Analysis and Reuse Technology, Institute for Advanced Materials, College of Chemistry and Chemical Engineering, Hubei Normal University, Huangshi 435002 (China); Jiang, Chuanjia [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Luoshi Road 122, Wuhan, 430070 (China); Tang, Hua [School of Materials Science and Engineering, Jiangsu University, Zhenjiang, 212013 (China); Xu, Qingchuan [Hubei Key Laboratory of Pollutant Analysis and Reuse Technology, Institute for Advanced Materials, College of Chemistry and Chemical Engineering, Hubei Normal University, Huangshi 435002 (China)

2017-07-31

Highlights: • High surface area g-C{sub 3}N4/TiO{sub 2} is obtained by combined hydrothermal-calcination method. • HCl formation from Ti precursor changed the structural properties of the composite. • Composite exhibited visible light photocatalytic performance for RhB degradation. • A 3 g of melamine for 0.5 mL TiCl{sub 4} was found to be the optimum content. - Abstract: Semiconductor-based photocatalysis is a promising method for degradation of environmental pollutants, but the activity of most widely used photocatalysts such as titania (TiO{sub 2}) is still unsatisfactory under visible light. Herein, we synthesized a highly efficient visible-light-responsive heterojunction catalysts based on graphitic carbon nitride (g-C{sub 3}N{sub 4}) and TiO{sub 2}. The g-C{sub 3}N{sub 4}/TiO{sub 2} heterojunction composites with high specific surface area were prepared via in situ hydrothermal synthesis followed by calcination, using titanium tetrachloride (TiCl{sub 4}) and melamine as precursors. Interesting, HCl from the hydrolysis of TiCl{sub 4} served as the proton source to acidify the melamine. The g-C{sub 3}N{sub 4}/TiO{sub 2} heterojunction composites exhibited higher photocatalytic performance for decomposition of Rhodamine B (RhB) than pure g-C{sub 3}N{sub 4} or TiO{sub 2} under visible light irradiation. The high activity can be ascribed to the high specific surface area (up to 115.6 m{sup 2} g{sup −1}) of the g-C{sub 3}N{sub 4}/TiO{sub 2} composites and a synergistic heterojunction structure between TiO{sub 2} and g-C{sub 3}N{sub 4}. Moreover, the photocatalytic performances of the g-C{sub 3}N{sub 4}/TiO{sub 2} composites rely on the content of melamine in the synthesis precursors: with an optimum melamine content (3 g for 0.5 mL of TiCl{sub 4}), the sample showed the highest photocatalytic performance, which is superior to pure TiO{sub 2} and g-C{sub 3}N{sub 4} by a factor of 18.7 and 3.5, respectively. Active species trapping experiments revealed that

Partial slip effect in flow of magnetite-Fe{sub 3}O{sub 4} nanoparticles between rotating stretchable disks

Energy Technology Data Exchange (ETDEWEB)

Hayat, Tasawar [Department of Mathematics, Quaid-I-Azam University 45320, Islamabad 44000 (Pakistan); Nonlinear Analysis and Applied Mathematics (NAAM) Research Group, Department of Mathematics, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Qayyum, Sumaira [Department of Mathematics, Quaid-I-Azam University 45320, Islamabad 44000 (Pakistan); Imtiaz, Maria, E-mail: mi_qau@yahoo.com [Department of Mathematics, Quaid-I-Azam University 45320, Islamabad 44000 (Pakistan); Alzahrani, Faris; Alsaedi, Ahmed [Nonlinear Analysis and Applied Mathematics (NAAM) Research Group, Department of Mathematics, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)

2016-09-01

This paper addresses the flow of magnetic nanofluid (ferrofluid) between two parallel rotating stretchable disks with different rotating and stretching velocities. Water based fluid comprising magnetite-Fe{sub 3}O{sub 4} nanoparticles is addressed. Velocity slip and temperature jump at solid–fluid interface are also taken into account. Appropriate transformations reduce the nonlinear partial differential system to ordinary differential system. Convergent series solutions are obtained. Effects of various pertinent parameters on the velocity and temperature profiles are shown and evaluated. Computations for skin friction coefficient and Nusselt number are presented and examined for the influence of involved parameters. It is noted that tangential velocity of fluid decreases for larger velocity slip parameter. Fluid temperature also reduces for increasing value of thermal slip parameter. Surface drag force and heat transfer rate at lower disk are enhanced when magnetic field strength is increased. - Highlights: • Flow and heat transfer of ferrofluid induced by two stretchable rotating disks with velocity and thermal slips are explored. • Fluid temperature increases for larger solid volume fraction of nanofluid. • Heat transfer rate decreases for increasing values of thermal slip parameter.

Temperature-dependent surface porosity of Nb{sub 2}O{sub 5} under high-flux, low-energy He{sup +} ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Novakowski, T.J., E-mail: tnovakow@purdue.edu; Tripathi, J.K.; Hosinski, G.M.; Joseph, G.; Hassanein, A.

2016-01-30

Graphical abstract: - Highlights: • Nb{sub 2}O{sub 5} surfaces are nanostructured with a novel He{sup +} ion irradiation process. • High-flux, low energy He{sup +} ion irradiation generates highly porous surfaces. • Top-down approach guarantees good contact between different crystallites. • Sample annealing demonstrates temperature effect on surface morphology. • Surface pore diameter increases with increasing temperature. - Abstract: The present study reports on high-flux, low-energy He{sup +} ion irradiation as a novel method of enhancing the surface porosity and surface area of naturally oxidized niobium (Nb). Our study shows that ion-irradiation-induced Nb surface micro- and nano-structures are highly tunable by varying the target temperature during ion bombardment. Mirror-polished Nb samples were irradiated with 100 eV He{sup +} ions at a flux of 1.2 × 10{sup 21} ions m{sup −2} s{sup −1} to a total fluence of 4.3 × 10{sup 24} ions m{sup −2} with simultaneous sample annealing in the temperature range of 773–1223 K to demonstrate the influence of sample temperature on the resulting Nb surface morphology. This surface morphology was primarily characterized using field-emission scanning electron microscopy (FE-SEM) and atomic force microscopy (AFM). Below 923 K, Nb surfaces form nano-scale tendrils and exhibit significant increases in surface porosity. Above 923 K, homogeneously populated nano-pores with an average diameter of ∼60 nm are observed in addition to a smaller population of sub-micron sized pores (up to ∼230 nm in diameter). Our analysis shows a significant reduction in surface pore number density and surface porosity with increasing sample temperature. High-resolution ex situ X-ray photoelectron spectroscopy (XPS) shows Nb{sub 2}O{sub 5} phase in all of the ion-irradiated samples. To further demonstrate the length scales in which radiation-induced surface roughening occurs, optical reflectivity was performed over a spectrum of

Touch sensitive electrorheological fluid based tactile display

Science.gov (United States)

Liu, Yanju; Davidson, Rob; Taylor, Paul

2005-12-01

A tactile display is programmable device whose controlled surface is intended to be investigated by human touch. It has a great number of potential applications in the field of virtual reality and elsewhere. In this research, a 5 × 5 tactile display array including electrorheological (ER) fluid has been developed and investigated. Force responses of the tactile display array have been measured while a probe was moved across the upper surface. The purpose of this was to simulate the action of touch performed by human finger. Experimental results show that the sensed surface information could be controlled effectively by adjusting the voltage activation pattern imposed on the tactels. The performance of the tactile display is durable and repeatable. The touch sensitivity of this ER fluid based tactile display array has also been investigated in this research. The results show that it is possible to sense the touching force normal to the display's surface by monitoring the change of current passing through the ER fluid. These encouraging results are helpful for constructing a new type of tactile display based on ER fluid which can act as both sensor and actuator at the same time.

Nano Ag@AgBr surface-sensitized Bi{sub 2}WO{sub 6} photocatalyst: oil-in-water synthesis and enhanced photocatalytic degradation

Energy Technology Data Exchange (ETDEWEB)

Lin, Shuanglong; Liu, Li; Hu, Jinshan; Liang, Yinghua, E-mail: liangyh@heuu.edu.cn; Cui, Wenquan, E-mail: wkcui@163.com

2015-01-01

Graphical abstract: - Highlights: • The plasmatic Ag@AgBr surface-sensitized Bi{sub 2}WO{sub 6} composite photocatalysts. • Ag@AgBr greatly increased visible-light absorption for Bi{sub 2}WO{sub 6}. • The plasmonic photocatalysts exhibited enhanced activity for the degradation of MB, phenol and salicylic acid. - Abstract: Nano Ag@AgBr decorated on the surface of flower-like Bi{sub 2}WO{sub 6} (hereafter designated Ag@AgBr/Bi{sub 2}WO{sub 6}) were prepared via a facile oil-in-water self-assembly method. The photocatalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV–vis diffuse reflectance spectroscopy (DRS), etc. The characterization results indicated that nano Ag@AgBr was observed to be evenly dispersed on the surface of Bi{sub 2}WO{sub 6}, and was approximately 20 nm in size. Ag@AgBr/Bi{sub 2}WO{sub 6} composites exhibited excellent UV–vis absorption, due to quantum dimension effect of Ag@AgBr, the surface plasmonic resonance (SPR) of Ag nanoparticles and the special flower-like structure of Bi{sub 2}WO{sub 6}. The photoelectrochemical measurement verified that the suitable band potential of Ag@AgBr and Bi{sub 2}WO{sub 6} and the existence of metal Ag resulted in the high efficiency in charge separation of the composite. The photocatalytic activities of the Ag@AgBr/Bi{sub 2}WO{sub 6} samples were examined under visible-light irradiation for the degradation of methylene blue (MB). The composite presented excellent photocatalytic activity due to the synergetic effect of Bi{sub 2}WO{sub 6}, AgBr, and Ag nanoparticles. The Ag@AgBr(20 wt.%)/Bi{sub 2}WO{sub 6} sample exhibited the best photocatalytic activity, degrading 95.03% MB after irradiation for 2 h, which was respectively 1.29 times and 1.28 times higher than that of Ag@AgBr and Bi{sub 2}WO{sub 6} photocatalyst. Meanwhile, phenol and salicylic acid were degraded to further prove the degradation ability of Ag@AgBr/Bi{sub 2

Effective decolorization and adsorption of contaminant from industrial dye effluents using spherical surfaced magnetic (Fe{sub 3}O{sub 4}) nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Suriyaprabha, R., E-mail: sooriyarajendran@gmail.com; Khan, Samreen Heena [Centre for Nanosciences, Central University of Gujarat, Gandhainagar-382030 (India); Pathak, Bhawana; Fulekar, M. H., E-mail: mhfulekar@yahoo.com [School of Environment and Sustainable Development, Central University of Gujarat, Gandhainagar-382030 (India)

2016-04-13

Treatment of highly concentrated Industrial dye stuff effluents released in the environment is the major issue faced in the era of waste management as well as in water pollution. Though there is availability of conventional techniques in large numbers, there is a need of efficient and effective advance technologies. In account of that, Nanotechnology plays a prominent role to treat the heavy metals, organic and inorganic contaminants using smart materials in nano regime (1 -100 nm). Among these nanomaterials like Iron Oxide (Fe{sub 3}O{sub 4}, magnetic nanoparticle) is one of the most promising candidates to remove the heavy metals from the industrial effluent. Fe{sub 3}O{sub 4} is the widely used smart material with magnetic property having high surface area; high surface to volume ratio provides more surface for the chemical reaction for the surface adsorption. Fe{sub 3}O{sub 4} nanoparticles have been synthesized using sonochemical method using ultra frequency in aqueous solution under optimized conditions. The as-synthesized nanoparticle was analyzed using different characterization tool. The Transmission Electron microscope (TEM) images revealed 10-12 nm spherical shape nanoparticles; crystal phase and surface morphology was confirmed by X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM), respectively. The functional group were identified by Fourier Transform-Infra Red Spectroscopy (FT-IR), revealed the bending and stretching vibrations associated with Iron Oxide nanoparticle. In present study, for the efficient removal of contaminants, different concentration (10-50 ppm) of dye stuff effluent has been prepared and subjected to adsorption and decolourization at definite time intervals with Fe{sub 3}O{sub 4} nanoparticles. The concentration of Iron oxide and the time (45 mins) was kept fixed for the reaction whereas the concentration of dye stuff effluent was kept varying. It was found that the spherical shaped Fe{sub 3}O{sub 4} proved to be

SeO{sub 2} adsorption on CaO surface: DFT study on the adsorption of a single SeO{sub 2} molecule

Energy Technology Data Exchange (ETDEWEB)

Fan, Yaming; Zhuo, Yuqun; Lou, Yu; Zhu, Zhenwu [Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Thermal Engineering, Tsinghua University, Beijing 100084 (China); Li, Liangliang [Key Laboratory of Advanced Materials, Department of Material Science and Engineering, Tsinghua University, Beijing 100084 (China)

2017-08-15

Highlights: • Adsorption mechanisms of SeO{sub 2} on CaO surface under O{sub 2} were firstly studied by DFT. • The adsorption energies, bond length and electron density maps were calculated. • The electronic structure changes upon adsorption were studied. - Abstract: Selenium is a hazardous element in coal. During coal combustion, most of the selenium will convert to SeO{sub 2} in the flue gas. Ca-based adsorbents, especially CaO, have been considered as a potential sorbent to adsorb SeO{sub 2} due to its low cost. In this paper, the adsorption mechanisms of single SeO{sub 2} on CaO surface were investigated by density functional theory (DFT) calculation. Both the physisorption and chemisorption structures were determined. It has been identified that the adsorption of SeO{sub 2} on CaO surface is primarily chemisorption, while physisorption takes effects at the initial stage of the process. Under O{sub 2} atmosphere, selenate is hard to form. Most of the adsorption products are selenite. Additionally, the electron density maps were obtained to reveal the surface active sites. The partial density of states (PDOS) was calculated for analyzing the electronic structural change of SeO{sub 2} and CaO surface during adsorption. The results provide fundamental information of the adsorption process, which could be meaningful for the development of new absorbents.

Surface characterizations of TiH{sub 2} powders before and after dehydrogenation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yeguang [School of Aeronautics & Astronautics, Sichuan University, Chengdu, 610065 (China); Wang, Chunming; Liu, Yang; Liu, Shaopeng; Xiao, Sufen [College of Materials Science and Engineering, Sichuan University, Chengdu, 610065 (China); Chen, Yungui, E-mail: ygchen60@aliyun.com [School of Aeronautics & Astronautics, Sichuan University, Chengdu, 610065 (China); College of Materials Science and Engineering, Sichuan University, Chengdu, 610065 (China)

2017-07-15

Highlights: • Oxides characteristics of TiH{sub 2} and HDH-Ti are investigated by XPS depth profiles. • The relative contents of TiO{sub 2}, Ti{sub 2}O{sub 3} and TiO are lower after dehydrogenation. • The decrease of Ti{sub 2}O{sub 3} is more remarkable followed by TiO{sub 2}, TiO after dehydrogenation. • The H atoms of TiH{sub 2} react preferentially with Ti{sub 2}O{sub 3} followed by TiO{sub 2}, TiO. - Abstract: The oxide film of TiH{sub 2} and HDH-Ti powder are investigated using X-ray photoelectron spectroscopy (XPS). The XPS depth profiles indicate that there exists mainly Ti{sup 2+}, Ti{sup 3+}, Ti{sup 4+} and Ti{sup 0} on TiH{sub 2} and HDH-Ti surface. The intensities of Ti 2p decrease for Ti{sup 4+}, first increase and then decrease for Ti{sup 3+} and Ti{sup 2+}, and increase all the time for Ti{sup 0} in the surface layer of TiH{sub 2} and HDH-Ti with the sputtering depth increasing. The relative fractions of TiO{sub 2}, Ti{sub 2}O{sub 3} and TiO for the Ti 2p of TiH{sub 2} and HDH-Ti first decrease and then slow down with the sputtering depth increasing. Meanwhile, the relative fractions of TiO{sub 2} and TiO of HDH-Ti are lower than that of TiH{sub 2} after the sputtering depth of about 5 nm, and the fraction of Ti{sub 2}O{sub 3} of HDH-Ti is always lower that of TiH{sub 2}. In addition, the decrease of Ti{sub 2}O{sub 3} is much pronounced, followed by TiO{sub 2} and TiO before and after dehydrogenation when the sputtering depth is more than 5 nm. The XPS depth profiles and calculation results suggest that the release of H atoms removes the part of oxygen on TiH{sub 2} surface, which results in the thinner oxide layer and low oxygen content of HDH-Ti powder.

Convergence acceleration for partitioned simulations of the fluid-structure interaction in arteries

Science.gov (United States)

Radtke, Lars; Larena-Avellaneda, Axel; Debus, Eike Sebastian; Düster, Alexander

2016-06-01

We present a partitioned approach to fluid-structure interaction problems arising in analyses of blood flow in arteries. Several strategies to accelerate the convergence of the fixed-point iteration resulting from the coupling of the fluid and the structural sub-problem are investigated. The Aitken relaxation and variants of the interface quasi-Newton -least-squares method are applied to different test cases. A hybrid variant of two well-known variants of the interface quasi-Newton-least-squares method is found to perform best. The test cases cover the typical boundary value problem faced when simulating the fluid-structure interaction in arteries, including a strong added mass effect and a wet surface which accounts for a large part of the overall surface of each sub-problem. A rubber-like Neo Hookean material model and a soft-tissue-like Holzapfel-Gasser-Ogden material model are used to describe the artery wall and are compared in terms of stability and computational expenses. To avoid any kind of locking, high-order finite elements are used to discretize the structural sub-problem. The finite volume method is employed to discretize the fluid sub-problem. We investigate the influence of mass-proportional damping and the material model chosen for the artery on the performance and stability of the acceleration strategies as well as on the simulation results. To show the applicability of the partitioned approach to clinical relevant studies, the hemodynamics in a pathologically deformed artery are investigated, taking the findings of the test case simulations into account.

Effects of surface acidities of MCM-41 modified with MoO{sub 3} on adsorptive desulfurization of gasoline

Energy Technology Data Exchange (ETDEWEB)

Shao Xinchao, E-mail: sxc86@yahoo.cn [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China); Zhang Xiaotong; Yu Wenguang; Wu Yuye [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China); Qin Yucai [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China); College of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao, Shandong 257061 (China); Sun Zhaolin [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China); School of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China); Song Lijuan, E-mail: lsong56@263.net [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China) and College of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao, Shandong 257061 (China)

2012-12-15

Highlights: Black-Right-Pointing-Pointer The MoO{sub 3}-MCM-41 samples prepared by spontaneous monolayer dispersion and impregnation with a different MoO{sub 3} filling have been studied. Black-Right-Pointing-Pointer The relative concentration of hydroxyl groups present on before and after containing MoO{sub 3} samples was monitored by in situ FTIR to speculate the bonding style of MoO{sub 3} and MCM-41. Black-Right-Pointing-Pointer The surface acidities of the MoO{sub 3}-MCM-41 adsorbents were investigated systematically and correlated with the desulfurization performance. - Abstract: A series of MCM-41 samples containing molybdenum oxide as active species in the mesoporous channels loaded by spontaneous monolayer dispersion (SMD) and impregnation (IM) have been prepared and characterized using XRD, N{sub 2} adsorption-desorption analysis, Fourier transform infrared spectroscopy (FTIR) and intelligent gravimetric analyzer (IGA). The relative number of hydroxy on the adsorbents was investigated by in situ FTIR. Surface acidities of the adsorbents were studied by infrared spectroscopy of adsorbed pyridine and correlated with reactivity for adsorptive desulfurization. The IGA technique was employed to investigate adsorption behavior of thiophene and benzene on the adsorbents at 303 K. It is shown that MoO{sub 3} can be highly dispersed up to 0.2 g g{sup -1} in the MCM-41 channels by the SMD strategy with the ordered mesoporous structure of the MoMM samples remaining intact. The ordered mesostructure of MCM-41 is, however, destroyed at higher MoO{sub 3} contents of 0.26 and 0.32 g g{sup -1} with particle sizes of 1.2 nm and 3.6 nm, respectively, observed. For the MoMI(0.2) sample prepared by the IM method, the aggregation of the MoO{sub 3} particles takes place with a particle size of 6.5 nm obtained. The results are also revealed that the dispersion extent of the MoO{sub 3} species is related to the abundant surface hydroxy of MCM-41. The host species and guest

Unraveling the facet-dependent and oxygen vacancy role for ethylene hydrogenation on Co{sub 3}O{sub 4} (110) surface: A DFT+U study

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yong-Chao; Pan, Lun; Lu, Jinhui; Song, Jiajia; Li, Zheng; Zhang, Xiangwen; Wang, Li [Key Laboratory for Green Chemical Technology of the Ministry of Education, School of Chemical Engineering and Technology, Tianjin University (China); Collaborative Innovative Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China); Zou, Ji-Jun, E-mail: jj_zou@tju.edu.cn [Key Laboratory for Green Chemical Technology of the Ministry of Education, School of Chemical Engineering and Technology, Tianjin University (China); Collaborative Innovative Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China)

2017-04-15

Highlights: • The mechanism of ethylene hydrogenation on perfect and oxygen defective Co{sub 3}O{sub 4}(110) is investigated by using DFT + U. • Oxygen vacancy promotes ethylene hydrogenation thermodynamically and kinetically. • The Co3O4 (110) facet is more active than the (111) one for ethylene hydrogenation. - Abstract: Crystal facet engineering and defect engineering are both critical strategies to improve the catalytic hydrogenation performance of catalyst. Herein, ethylene hydrogenation on the perfect and oxygen defective Co{sub 3}O{sub 4}(110) surfaces has been studied by using periodic density functional theory calculations. The results are compared with that on Co{sub 3}O{sub 4}(111) surface to clarify the problem of which facet for Co{sub 3}O{sub 4} is more reactive, and to illuminate the role of oxygen vacancy. The low oxygen vacancy formation energy suggests that Co{sub 3}O{sub 4}(110) surface with defective site is easily formed. The whole mechanism of H{sub 2} dissociation and stepwise hydrogenation of ethylene to ethane is examined, and the most favorable pathway is heterolytic dissociation of H{sub 2} follows two stepwise hydrogenation of ethylene process. The results show that ethyl hydrogenation to ethane on perfect Co{sub 3}O{sub 4}(110) surface is the rate limiting step with an activation energy of 1.19 eV, and the presence of oxygen vacancy strongly reduces the activation energies of main elementary steps, and the activation energy of rate limiting step is only 0.47 eV. Compared with that on Co{sub 3}O{sub 4}(111), ethylene hydrogenation is preferred on Co{sub 3}O{sub 4}(110) surface. Therefore, Co{sub 3}O{sub 4} with exposed (110) facet is predicted as an excellent catalyst for ethylene hydrogenation.

Flow Distribution Measurement Feasibility in Supercritical CO<sub>2sub>

Energy Technology Data Exchange (ETDEWEB)

Lance, Blake [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-12-01

Supercritical CO<sub>2sub> (sCO<sub>2sub>) is a fluid of interest for advanced power cycles that can reach thermal to electric energy conversion efficiencies of 50% or higher. Of particular interest for fossil-fired natural gas is the Allam cycle that captures nearly all CO<sub>2sub> emissions and exports it as a fluid stream where it may be of value. The combustion process conditions are unlike any before realized with 90-95% CO<sub>2sub> concentration, temperatures around 1000°C, and pressures near 300 bar. This work outlines the experimental feasibility of flow measurements to acquire the first known data in pure sCO<sub>2sub> at similar but reduced temperature and pressure conditions.

Multipoint Pressure and Temperature Sensing Fiber Optic Cable for Monitoring CO<sub>2sub> Sequestration

Energy Technology Data Exchange (ETDEWEB)

Challener, William [General Electric Company, Niskayuna, NY (United States)

2015-02-10

This report describes the work completed on contract DE-FE0010116. The goal of this two year project was to develop and demonstrate in the laboratory a highly accurate multi-point pressure measurement fiber optic cable based on MEMS pressure sensors suitable for downhole deployment in a CO<sub>2sub> sequestration well. The sensor interrogator was also to be demonstrated in a remote monitoring system and environmental testing was to be completed to indicate its downhole survivability over a lengthy period of time (e.g., 20 years). An interrogator system based on a pulsed laser excitation was shown to be capable of multiple (potentially 100+) simultaneous sensor measurements. Two sensors packages were completed and spliced in a cable onto the same fiber and measured. One sensor package was subsequently measured at high temperatures and pressures in supercritical CO<sub>2sub>, while the other package was measured prior and after being subjected to high torque stresses to mimic downhole deployment. The environmental and stress tests indicated areas in which the package design should be further improved.

Adsorption of fluids on solid surfaces: A route toward very dense layers

Energy Technology Data Exchange (ETDEWEB)

Sartarelli, S.A. [Instituto de Desarrollo Humano, Universidad Nacional de General Sarmiento, San Miguel (Argentina); Szybisz, L., E-mail: szybisz@tandar.cnea.gov.ar [Laboratorio TANDAR, Departamento de Fisica, Comision Nacional de Energia Atomica, RA-1429 Buenos Aires (Argentina); Departamento de Fiica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas, RA-1033 Buenos Aires (Argentina)

2012-08-15

Adsorption of Xe on single planar walls is investigated in the frame of a density functional theory. The strength of the adsorbate-substrate attraction is changed by considering surfaces of Cs, Na, Li, and Mg. The behavior is analyzed by varying the temperature T (between the triple point T{sub t} and the critical T{sub c}) and the coverage {Gamma}{sub Script-Small-L }. The obtained adsorption isotherms exhibit a variety of wetting situations. Density profiles are reported. It is shown that for strongly attractive surfaces the adsorbed liquid becomes very dense reaching densities characteristic of solids.

An evaluation and comparison of intraventricular, intraparenchymal, and fluid-coupled techniques for intracranial pressure monitoring in patients with severe traumatic brain injury.

Science.gov (United States)

Vender, John; Waller, Jennifer; Dhandapani, Krishnan; McDonnell, Dennis

2011-08-01

Intracranial pressure measurements have become one of the mainstays of traumatic brain injury management. Various technologies exist to monitor intracranial pressure from a variety of locations. Transducers are usually placed to assess pressure in the brain parenchyma and the intra-ventricular fluid, which are the two most widely accepted compartmental monitoring sites. The individual reliability and inter-reliability of these devices with and without cerebrospinal fluid diversion is not clear. The predictive capability of monitors in both of these sites to local, regional, and global changes also needs further clarification. The technique of monitoring intraventricular pressure with a fluid-coupled transducer system is also reviewed. There has been little investigation into the relationship among pressure measurements obtained from these two sources using these three techniques. Eleven consecutive patients with severe, closed traumatic brain injury not requiring intracranial mass lesion evacuation were admitted into this prospective study. Each patient underwent placement of a parenchymal and intraventricular pressure monitor. The ventricular catheter tubing was also connected to a sensor for fluid-coupled measurement. Pressure from all three sources was measured hourly with and without ventricular drainage. Statistically significant correlation within each monitoring site was seen. No monitoring location was more predictive of global pressure changes or more responsive to pressure changes related to patient stimulation. However, the intraventricular pressure measurements were not reliable in the presence of cerebrospinal fluid drainage whereas the parenchymal measurements remained unaffected. Intraparenchymal pressure monitoring provides equivalent, statistically similar pressure measurements when compared to intraventricular monitors in all care and clinical settings. This is particularly valuable when uninterrupted cerebrospinal fluid drainage is desirable.

The effects of surface bond relaxation on electronic structure of Sb{sub 2}Te{sub 3} nano-films by first-principles calculation

Energy Technology Data Exchange (ETDEWEB)

Li, C., E-mail: canli1983@gmail.com; Zhao, Y. F.; Fu, C. X.; Gong, Y. Y. [Center for Coordination Bond Engineering, School of Materials Science and Engineering, China Jiliang University (China); Chi, B. Q. [College of Modem Science and Technology, Jiliang University, Hangzhou, 310018 (China); Sun, C. Q. [Center for Coordination Bond Engineering, School of Materials Science and Engineering, China Jiliang University (China); School of Electrical and Electronic Engineering, Nanyang Technological University, 639798 (Singapore)

2014-10-15

The effects of vertical compressive stress on Sb{sub 2}Te{sub 3} nano-films have been investigated by the first principles calculation, including stability, electronic structure, crystal structure, and bond order. It is found that the band gap of nano-film is sensitive to the stress in Sb{sub 2}Te{sub 3} nano-film and the critical thickness increases under compressive stress. The band gap and band order of Sb{sub 2}Te{sub 3} film has been affected collectively by the surface and internal crystal structures, the contraction ratio between surface bond length of nano-film and the corresponding bond length of bulk decides the band order of Sb{sub 2}Te{sub 3} film.

Effect of ozone concentration on silicon surface passivation by atomic layer deposited Al{sub 2}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Gastrow, Guillaume von, E-mail: guillaume.von.gastrow@aalto.fi [Aalto University, Department of Micro- and Nanosciences, Tietotie 3, 02150 Espoo (Finland); Li, Shuo [Aalto University, Department of Micro- and Nanosciences, Tietotie 3, 02150 Espoo (Finland); Putkonen, Matti [VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT, Espoo (Finland); Aalto University School of Chemical Technology, Laboratory of Inorganic Chemistry, FI-00076 Aalto, Espoo (Finland); Laitinen, Mikko; Sajavaara, Timo [University of Jyvaskyla, Department of Physics, FIN-40014 University of Jyvaskyla (Finland); Savin, Hele [Aalto University, Department of Micro- and Nanosciences, Tietotie 3, 02150 Espoo (Finland)

2015-12-01

Highlights: • The ALD Al{sub 2}O{sub 3} passivation quality can be controlled by the ozone concentration. • Ozone concentration affects the Si/Al{sub 2}O{sub 3} interface charge and defect density. • A surface recombination velocity of 7 cm/s is reached combining ozone and water ALD. • Carbon and hydrogen concentrations correlate with the surface passivation quality. - Abstract: We study the impact of ozone-based Al{sub 2}O{sub 3} Atomic Layer Deposition (ALD) on the surface passivation quality of crystalline silicon. We show that the passivation quality strongly depends on the ozone concentration: the higher ozone concentration results in lower interface defect density and thereby improved passivation. In contrast to previous studies, our results reveal that too high interface hydrogen content can be detrimental to the passivation. The interface hydrogen concentration can be optimized by the ozone-based process; however, the use of pure ozone increases the harmful carbon concentration in the film. Here we demonstrate that low carbon and optimal hydrogen concentration can be achieved by a single process combining the water- and ozone-based reactions. This process results in an interface defect density of 2 × 10{sup 11} eV{sup −1} cm{sup −2}, and maximum surface recombination velocities of 7.1 cm/s and 10 cm/s, after annealing and after an additional firing at 800 °C, respectively. In addition, our results suggest that the effective oxide charge density can be optimized in a simple way by varying the ozone concentration and by injecting water to the ozone process.

Surface and sub-surface thermal oxidation of thin ruthenium films

Energy Technology Data Exchange (ETDEWEB)

Coloma Ribera, R.; Kruijs, R. W. E. van de; Yakshin, A. E.; Bijkerk, F. [MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Kokke, S.; Zoethout, E. [FOM Dutch Institute for Fundamental Energy Research (DIFFER), P.O. Box 1207, 3430 BE Nieuwegein (Netherlands)

2014-09-29

A mixed 2D (film) and 3D (nano-column) growth of ruthenium oxide has been experimentally observed for thermally oxidized polycrystalline ruthenium thin films. Furthermore, in situ x-ray reflectivity upon annealing allowed the detection of 2D film growth as two separate layers consisting of low density and high density oxides. Nano-columns grow at the surface of the low density oxide layer, with the growth rate being limited by diffusion of ruthenium through the formed oxide film. Simultaneously, with the growth of the columns, sub-surface high density oxide continues to grow limited by diffusion of oxygen or ruthenium through the oxide film.

Clean Air Markets - Monitoring Surface Water Chemistry

Science.gov (United States)

Learn about how EPA uses Long Term Monitoring (LTM) and Temporily Integrated Monitoring of Ecosystems (TIME) to track the effect of the Clean Air Act Amendments on acidity of surface waters in the eastern U.S.

Surface properties of Co-doped BaFe{sub 2}As{sub 2} thin films deposited on MgO with Fe buffer layer and CaF{sub 2} substrates

Energy Technology Data Exchange (ETDEWEB)

Sobota, R. [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia); Plecenik, T., E-mail: tomas.plecenik@fmph.uniba.sk [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia); Gregor, M.; Truchly, M.; Satrapinskyy, L.; Vidis, M.; Secianska, K. [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia); Kurth, F.; Holzapfel, B.; Iida, K. [Institute for Metallic Materials, IFW Dresden, PO Box 270116, D-01171 Dresden (Germany); Kus, P.; Plecenik, A. [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia)

2014-09-01

Highlights: • Surfaces of Co-doped Ba-122 films on various substrates were studied. • Substrate influences topography and surface conductivity distribution of the films. • Surface conductivity of Co-doped Ba-122 is highly inhomogeneous. • Point contact spectroscopy results can be affected by the surface differences. - Abstract: Surface properties of Co-doped BaFe{sub 2}As{sub 2} (Ba-122) thin films prepared by pulsed laser deposition on MgO with Fe buffer layer and CaF{sub 2} substrates were inspected by atomic force microscopy, scanning spreading resistance microscopy, scanning tunneling microscopy, X-ray photoelectron spectroscopy, auger electron spectroscopy/microscopy and point contact spectroscopy (PCS). Selected PCS spectra were fitted by extended 1D BTK model. The measurements were done on as-received as well as ion beam etched surfaces. Our results show that the substrate is considerably influencing the surface properties of the films, particularly the topography and surface conductivity distribution, what can affect results obtained by surface-sensitive techniques like PCS.

Bioactivity studies on TiO{sub 2}-bearing Na{sub 2}O–CaO–SiO{sub 2}–B{sub 2}O{sub 3} glasses

Energy Technology Data Exchange (ETDEWEB)

Jagan Mohini, G. [Department of Physics, Andhra Loyola College, Vijayawada 520 008, Andhra Pradesh (India); Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522 510, A.P. (India); Sahaya Baskaran, G. [Department of Physics, Andhra Loyola College, Vijayawada 520 008, Andhra Pradesh (India); Ravi Kumar, V. [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522 510, A.P. (India); Piasecki, M. [Institute of Physics, J. Dlugosz University, Al. Armii Krajowej 13/15, Czestochowa (Poland); Veeraiah, N., E-mail: nvr8@rediffmail.com [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522 510, A.P. (India)

2015-12-01

Soda lime silica borate glasses mixed with different concentrations of TiO{sub 2} are synthesized by the melt-quenching technique. As a part of study on bioactivity of these glasses, the samples were immersed in simulated body fluid (SBF) solution for prolonged times (~ 21 days) during which weight loss along with pH measurements is carried out at specific intervals of time. The XRD and SEM analyses of post-immersed samples confirm the formation of crystalline hydroxyapatite layer (HA) on the surface of the samples. To assess the role of TiO{sub 2} on the formation of HA layer and degradability of the samples the spectroscopic studies viz. optical absorption and IR spectral studies on post- and pre-immersed samples have been carried out. The analysis of the results of degradability together with spectroscopic studies as a function of TiO{sub 2} concentration indicated that about 6.0 mol% of TiO{sub 2} is the optimal concentration for achieving better bioactivity of these glasses. The presence of the maximal concentration octahedral titanium ions in this glass that facilitates the formation of HA layer is found to be the reason for such a higher bioactivity. - Highlights: • Soda lime silica borate glasses mixed with TiO{sub 2} are synthesized. • Bioactivity of the glasses is studied by immersing them in SBF solution. • XRD and SEM studies indicated the formation of hydroxyapatite layer on the surface. • Quantum of degradability is the highest in the glasses mixed with 6.0 mol% of TiO{sub 2.} • The results are analyzed using IR and optical absorption studies.

Free surface simulation of a two-layer fluid by boundary element method

Directory of Open Access Journals (Sweden)

Weoncheol Koo

2010-09-01

Full Text Available A two-layer fluid with free surface is simulated in the time domain by a two-dimensional potential-based Numerical Wave Tank (NWT. The developed NWT is based on the boundary element method and a leap-frog time integration scheme. A whole domain scheme including interaction terms between two layers is applied to solve the boundary integral equation. The time histories of surface elevations on both fluid layers in the respective wave modes are verified with analytic results. The amplitude ratios of upper to lower elevation for various density ratios and water depths are also compared.

Surface modification of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} aiming to obtaining ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} hybrid for use as a biosensor; Modificacao da superficie do ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} visando a obtencao do hibrido ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} para aplicacao como biossensor

Energy Technology Data Exchange (ETDEWEB)

Araujo, P.M.A.G.; Santos, P.T.A.; Costa, A.C.F.M., E-mail: pascally.guerra@gmail.com, E-mail: polyanaquimica@yahoo.com.br, E-mail: ana.costa@ufcg.edu.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil); Junior, S.A.; Viana, R. S., E-mail: salvesjr@ufpe.br, E-mail: rodrigosilva.viana@yahoo.com.br [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil)

2017-01-15

This study aimed to investigate the influence of surface modification of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} nanoparticles for obtaining hybrid ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} for application as a biosensor. Initially ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} nanoparticles were synthesized by combustion reaction and, subsequently, their surfaces were modified with silane agent. The samples were characterized by X-ray diffraction, scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, and excitation and emission spectroscopy. The results showed formation of ZnAl{sub 2}O{sub 4} as the major phase. By SEM, hard agglomerates, irregularly shaped in the form of plaques, with the presence of few irregular and variables pores were observed. The surface modification was confirmed by FTIR through the silanol and siloxane groups. The excitation and emission spectra revealed the presence of a broadband of ZnAl{sub 2} O{sub 4} matrix, and fine and intense transitions from europium ion arising from doping of non-stoichiometric ZnAl{sub 2}O{sub 4} with the europium. From the results of emission and excitation, it was observed that the luminescence of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} hybrid presented a small decrease in relation to the ZnAl{sub 1.9}Eu0.0{sub 5}O{sub 4} nanoparticles. This decrease was almost insignificant in relation to the benefits of silanization caused by the introduction of functional groups that promote combination of hybrid ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} with biomolecules, being this promising for application as a biosensor used in the biomedical field for the diagnosis and treatment of diseases. (author)