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Sample records for silicide based multicomponent

  1. Evaluation of powder metallurgical processing routes for multi-component niobium silicide-based high-temperature alloys

    Energy Technology Data Exchange (ETDEWEB)

    Seemueller, Hans Christoph Maximilian

    2016-03-22

    Niobium silicide-based composites are potential candidates to replace nickel-base superalloys for turbine applications. The goal of this work was to evaluate the feasibility and differences in ensuing properties of various powder metallurgical processing techniques that are capable of manufacturing net-shape turbine components. Two routes for powder production, mechanical alloying and gas atomization were combined with compaction via hot isostatic pressing and powder injection molding.

  2. Syntheses of Nanostructure Bundles Based on Semiconducting Metal Silicides

    Science.gov (United States)

    Li, Wen; Ishikawa, Daisuke; Tatsuoka, Hirokazu

    2013-08-01

    A variety of nanostructure bundles and arrays based on semiconducting metal silicides have been synthesized using abundant and non-toxic starting materials. Three types of fabrication techniques of the nanostructure bundles or arrays, including direct growth, template synthesis using natural nanostructured materials and template synthesis using artificially fabricated nanostructured materials are demonstrated. CrSi2 nanowire bundles were directly grown by the exposure of Si substrates to CrCl2 vapor at atmospheric pressure. A hexagonal MoSi2 nanosheet, Mg2Si/MgO composite nanowire and Mg2Si nanowire bundles and MnSi1.7 nanowire array were synthesized using a MoS2 layered material, a SiOx nanofiber bundle, a Si nanowire array, and a Si nanowire array as the templates, respectively. Additionally, the fabrication phenomenon and structural properties of the nanostructured semiconducting metal silicides were investigated. These reactions provided the low-cost and controllable synthetic techniques to synthesize large scale and one-dimensional semiconducting metal silicides for thermoelectric applications.

  3. Silicon-germanium and platinum silicide nanostructures for silicon based photonics

    Science.gov (United States)

    Storozhevykh, M. S.; Dubkov, V. P.; Arapkina, L. V.; Chizh, K. V.; Mironov, S. A.; Chapnin, V. A.; Yuryev, V. A.

    2017-05-01

    This paper reports a study of two types of silicon based nanostructures prospective for applications in photonics. The first ones are Ge/Si(001) structures forming at room temperature and reconstructing after annealing at 600°C. Germanium, being deposited from a molecular beam at room temperature on the Si(001) surface, forms a thin granular film composed of Ge particles with sizes of a few nanometers. A characteristic feature of these films is that they demonstrate signs of the 2 x 1 structure in their RHEED patterns. After short-term annealing at 600°C under the closed system conditions, the granular films reconstruct to heterostructures consisting of a Ge wetting layer and oval clusters of Ge. A mixed type c(4x2) + p(2x2) reconstruction typical to the low-temperature MBE (Tgr class of materials is one of the friendliest to silicon technology. But as silicide film thickness reaches a few nanometers, low resistivity becomes of primary importance. Pt3Si has the lowest sheet resistance among the Pt silicides. However, the development of a process of thin Pt3Si films formation is a challenging task. This paper describes formation of a thin Pt3Si/Pt2Si structures at room temperature on poly-Si films. Special attention is paid upon formation of poly-Si and amorphous Si films on Si3N4 substrates at low temperatures.

  4. Development of silicide coating over molybdenum based refractory alloy and its characterization

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, S.P., E-mail: spc@barc.gov.i [Materials Processing Division, Bhabha Atomic Research Center, Trombay, Mumbai 400 085 (India); Banerjee, S.; Sharma, I.G.; Suri, A.K. [Materials Processing Division, Bhabha Atomic Research Center, Trombay, Mumbai 400 085 (India)

    2010-08-15

    Molybdenum based refractory alloys are potential candidate materials for structural applications in high temperature compact nuclear reactors and fusion reactors. However, these alloys being highly susceptible to oxidation in air or oxygen at elevated temperature, undergoes severe losses from highly volatile molybdenum trioxide species. Present investigation, therefore, examines the feasibility of development of silicide type of coating over molybdenum base TZM alloy shape (Mo > 99 wt.%) using pack cementation coating technique. TZM alloy was synthesized in this laboratory from oxide intermediates of MoO{sub 2}, TiO{sub 2} and ZrO{sub 2} in presence of requisite amount of carbon, by alumino-thermic reduction smelting technique. The arc melted and homogenized samples of TZM alloy substrate was then embedded in the chosen and intimately mixed pack composition consisting of inert matrix (Al{sub 2}O{sub 3}), coating powder (Si) and activator (NH{sub 4}Cl) taken in the judicious proportion. The sealed charge packs contained in an alumina crucible were heated at temperatures of 1000 {sup o}C for 8-16 h heating cycle to develop the coating. The coating phase was confirmed to be of made of MoSi{sub 2} by XRD analysis. The morphology of the coating was studied by SEM characterization. It had revealed that the coating was diffusion bonded where Si from coating diffused inward and Mo from TZM substrate diffused outward to form the coating. The coating was found to be resistant to oxidation when tested in air up to 1200 {sup o}C. A maximum 100 {mu}m of coating thickness was achieved on each side of the substrate.

  5. Kinetics of crystallization of a Fe-based multicomponent amorphous ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. The Fe-based multicomponent amorphous alloys (also referred to as metallic glasses) are known to exhibit soft magnetic properties and, it makes them important for many technological applications. However, metallic glasses are in a thermodynamically metastable state and in case of high temperature operating ...

  6. High temperature structural silicides

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, J.J.

    1997-03-01

    Structural silicides have important high temperature applications in oxidizing and aggressive environments. Most prominent are MoSi{sub 2}-based materials, which are borderline ceramic-intermetallic compounds. MoSi{sub 2} single crystals exhibit macroscopic compressive ductility at temperatures below room temperature in some orientations. Polycrystalline MoSi{sub 2} possesses elevated temperature creep behavior which is highly sensitive to grain size. MoSi{sub 2}-Si{sub 3}N{sub 4} composites show an important combination of oxidation resistance, creep resistance, and low temperature fracture toughness. Current potential applications of MoSi{sub 2}-based materials include furnace heating elements, molten metal lances, industrial gas burners, aerospace turbine engine components, diesel engine glow plugs, and materials for glass processing.

  7. Isocyanide-based multicomponent reactions towards cyclic constrained peptidomimetics

    Directory of Open Access Journals (Sweden)

    Gijs Koopmanschap

    2014-03-01

    Full Text Available In the recent past, the design and synthesis of peptide mimics (peptidomimetics has received much attention. This because they have shown in many cases enhanced pharmacological properties over their natural peptide analogues. In particular, the incorporation of cyclic constructs into peptides is of high interest as they reduce the flexibility of the peptide enhancing often affinity for a certain receptor. Moreover, these cyclic mimics force the molecule into a well-defined secondary structure. Constraint structural and conformational features are often found in biological active peptides. For the synthesis of cyclic constrained peptidomimetics usually a sequence of multiple reactions has been applied, which makes it difficult to easily introduce structural diversity necessary for fine tuning the biological activity. A promising approach to tackle this problem is the use of multicomponent reactions (MCRs, because they can introduce both structural diversity and molecular complexity in only one step. Among the MCRs, the isocyanide-based multicomponent reactions (IMCRs are most relevant for the synthesis of peptidomimetics because they provide peptide-like products. However, these IMCRs usually give linear products and in order to obtain cyclic constrained peptidomimetics, the acyclic products have to be cyclized via additional cyclization strategies. This is possible via incorporation of bifunctional substrates into the initial IMCR. Examples of such bifunctional groups are N-protected amino acids, convertible isocyanides or MCR-components that bear an additional alkene, alkyne or azide moiety and can be cyclized via either a deprotection–cyclization strategy, a ring-closing metathesis, a 1,3-dipolar cycloaddition or even via a sequence of multiple multicomponent reactions. The sequential IMCR-cyclization reactions can afford small cyclic peptide mimics (ranging from four- to seven-membered rings, medium-sized cyclic constructs or peptidic

  8. Isocyanide-based multicomponent reactions towards cyclic constrained peptidomimetics.

    Science.gov (United States)

    Koopmanschap, Gijs; Ruijter, Eelco; Orru, Romano Va

    2014-01-01

    In the recent past, the design and synthesis of peptide mimics (peptidomimetics) has received much attention. This because they have shown in many cases enhanced pharmacological properties over their natural peptide analogues. In particular, the incorporation of cyclic constructs into peptides is of high interest as they reduce the flexibility of the peptide enhancing often affinity for a certain receptor. Moreover, these cyclic mimics force the molecule into a well-defined secondary structure. Constraint structural and conformational features are often found in biological active peptides. For the synthesis of cyclic constrained peptidomimetics usually a sequence of multiple reactions has been applied, which makes it difficult to easily introduce structural diversity necessary for fine tuning the biological activity. A promising approach to tackle this problem is the use of multicomponent reactions (MCRs), because they can introduce both structural diversity and molecular complexity in only one step. Among the MCRs, the isocyanide-based multicomponent reactions (IMCRs) are most relevant for the synthesis of peptidomimetics because they provide peptide-like products. However, these IMCRs usually give linear products and in order to obtain cyclic constrained peptidomimetics, the acyclic products have to be cyclized via additional cyclization strategies. This is possible via incorporation of bifunctional substrates into the initial IMCR. Examples of such bifunctional groups are N-protected amino acids, convertible isocyanides or MCR-components that bear an additional alkene, alkyne or azide moiety and can be cyclized via either a deprotection-cyclization strategy, a ring-closing metathesis, a 1,3-dipolar cycloaddition or even via a sequence of multiple multicomponent reactions. The sequential IMCR-cyclization reactions can afford small cyclic peptide mimics (ranging from four- to seven-membered rings), medium-sized cyclic constructs or peptidic macrocycles (>12

  9. Simultaneous aluminizing and chromizing of steels to form (Fe,Cr){sub 3}Al coatings and Ge-doped silicide coatings of Cr-Zr base alloys

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, M.; He, Y.R.; Rapp, R.A. [Ohio State Univ., Columbus, OH (United States). Dept. of Materials Science and Engineering

    1997-12-01

    A halide-activated cementation pack involving elemental Al and Cr powders has been used to achieve surface compositions of approximately Fe{sub 3}Al plus several percent Cr for low alloy steels (T11, T2 and T22) and medium carbon steel (1045 steel). A two-step treatment at 925 C and 1150 C yields the codeposition and diffusion of aluminum and chromium to form dense and uniform ferrite coatings of about 400 {micro}m thickness, while preventing the formation of a blocking chromium carbide at the substrate surfaces. Upon cyclic oxidation in air at 700 C, the coated steel exhibits a negligible 0.085 mg/cm{sup 2} weight gain for 1900 one-hour cycles. Virtually no attack was observed on coated steels tested at ABB in simulated boiler atmospheres at 500 C for 500 hours. But coatings with a surface composition of only 8 wt% Al and 6 wt% Cr suffered some sulfidation attack in simulated boiler atmospheres at temperatures higher than 500 C for 1000 hours. Two developmental Cr-Zr based Laves phase alloys (CN129-2 and CN117(Z)) were silicide/germanide coated. The cross-sections of the Ge-doped silicide coatings closely mimicked the microstructure of the substrate alloys. Cyclic oxidation in air at 1100 C showed that the Ge-doped silicide coating greatly improved the oxidation resistance of the Cr-Zr based alloys.

  10. Silicides: Materials for thermoelectric energy conversion

    Science.gov (United States)

    Fedorov, Mikhail I.; Isachenko, Grigory N.

    2015-07-01

    There are few silicides that could be used for thermoelectric energy conversion, following higher silicides of transition metals: CrSi2, MnSi1.75, β-FeSi2, Ru2Si3, ReSi1.75, and solid solutions based on compounds of Mg2X (X = Si, Ge, and Sn). Some of them have very high figures of merit (ZT). It can be shown that, in some silicides, a high ZT is the result of energy spectrum optimization besides the decrease in thermal conductivity. This is very difficult to achieve in some materials, because the density of states is typically dependent only on the band structure of a material, for which there is no means to produce such a change. However, in solid solutions, if they have a special band structure of components, it is possible to alter the band structure to increase ZT.

  11. Effectiveness of a worksite mindfulness-based multi-component intervention on lifestyle behaviors

    National Research Council Canada - National Science Library

    van Berkel, Jantien; Boot, Cécile R L; Proper, Karin I; Bongers, Paulien M; van der Beek, Allard J

    2014-01-01

    .... The aim of this study was to evaluate the effectiveness of a worksite mindfulness-based multi-component intervention on vigorous physical activity in leisure time, sedentary behavior at work, fruit...

  12. Synthesis and design of silicide intermetallic materials

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, J.J.; Castro, R.G.; Butt, D.P. [Los Alamos National Lab., NM (United States)] [and others

    1997-04-01

    The overall objective of this program is to develop structural silicide-based materials with optimum combinations of elevated temperature strength/creep resistance, low temperature fracture toughness, and high temperature oxidation and corrosion resistance for applications of importance to the U.S. processing industry. A further objective is to develop silicide-based prototype industrial components. The ultimate aim of the program is to work with industry to transfer the structural silicide materials technology to the private sector in order to promote international competitiveness in the area of advanced high temperature materials and important applications in major energy-intensive U.S. processing industries. The program presently has a number of developing industrial connections, including a CRADA with Schuller International Inc. targeted at the area of MoSi{sub 2}-based high temperature materials and components for fiberglass melting and processing applications. The authors are also developing an interaction with the Institute of Gas Technology (IGT) to develop silicides for high temperature radiant gas burner applications, for the glass and other industries. Current experimental emphasis is on the development and characterization of MoSi{sub 2}-Si{sub 3}N{sub 4} and MoSi{sub 2}-SiC composites, the plasma spraying of MoSi{sub 2}-based materials, and the joining of MoSi{sub 2} materials to metals.

  13. Recent advances in isocyanide-based multicomponent chemistry

    NARCIS (Netherlands)

    Dömling, Alexander

    2002-01-01

    Multicomponent reactions (MCRs) provide a powerful tool towards the one-pot synthesis of diverse and complex compounds on the one hand and small and 'drug-like' heterocycles on the other hand. No other single synthesis technology enables chemists to search such large chemical spaces as provided by

  14. Joint Estimation of Time-Frequency Signature and DOA Based on STFD for Multicomponent Chirp Signals.

    Science.gov (United States)

    Zhao, Ziyue; Liu, Congfeng

    2014-01-01

    In the study of the joint estimation of time-frequency signature and direction of arrival (DOA) for multicomponent chirp signals, an estimation method based on spatial time-frequency distributions (STFDs) is proposed in this paper. Firstly, array signal model for multicomponent chirp signals is presented and then array processing is applied in time-frequency analysis to mitigate cross-terms. According to the results of the array processing, Hough transform is performed and the estimation of time-frequency signature is obtained. Subsequently, subspace method for DOA estimation based on STFD matrix is achieved. Simulation results demonstrate the validity of the proposed method.

  15. Using Data to Individualize a Multicomponent, Technology-Based Self-Monitoring Intervention

    Science.gov (United States)

    Bruhn, Allison Leigh; Vogelgesang, Kari; Fernando, Josephine; Lugo, Wilbeth

    2016-01-01

    Technology in schools is abundant as is the call for evidence-based interventions for students who need additional support to be successful. One promising use of technology is for self-monitoring interventions aimed at improving classroom behavior. In this study, two middle school students with disabilities used a multicomponent, self-monitoring…

  16. Using a Multicomponent Function-Based Intervention to Support Students with Attention Deficit Hyperactivity Disorder

    Science.gov (United States)

    Cho, Su-Je; Blair, Kwang-Sun Cho

    2017-01-01

    The current study evaluated the effects of a multicomponent function-based intervention on students with other health impairment (OHI) for attention deficit hyperactivity disorder (ADHD) in a private special education school. The focus of the intervention was to prevent problem behaviors and to increase academic engagement by modifying classroom…

  17. Desosamine in multicomponent reactions

    NARCIS (Netherlands)

    Achatz, Sepp; Dömling, Alexander

    2006-01-01

    Desosamine occurring ubiquitously in natural products is introduced into isocyanide based multicomponent reaction chemistry. Corresponding products are of potential interest for the design of novel antibiotics. © 2006.

  18. PCF-Based Cavity Enhanced Spectroscopic Sensors for Simultaneous Multicomponent Trace Gas Analysis

    Directory of Open Access Journals (Sweden)

    Kamil Stelmaszczyk

    2011-01-01

    Full Text Available A multiwavelength, multicomponent CRDS gas sensor operating on the basis of a compact photonic crystal fibre supercontinuum light source has been constructed. It features a simple design encompassing one radiation source, one cavity and one detection unit (a spectrograph with a fitted ICCD camera that are common for all wavelengths. Multicomponent detection capability of the device is demonstrated by simultaneous measurements of the absorption spectra of molecular oxygen (spin-forbidden b-X branch and water vapor (polyads 4v, 4v + d in ambient atmospheric air. Issues related to multimodal cavity excitation, as well as to obtaining the best signal-to-noise ratio are discussed together with methods for their practical resolution based on operating the cavity in a “quasi continuum” mode and setting long camera gate widths, respectively. A comprehensive review of multiwavelength CRDS techniques is also given.

  19. Multicomponent quantitative spectroscopic analysis without reference substances based on ICA modelling.

    Science.gov (United States)

    Monakhova, Yulia B; Mushtakova, Svetlana P

    2017-05-01

    A fast and reliable spectroscopic method for multicomponent quantitative analysis of targeted compounds with overlapping signals in complex mixtures has been established. The innovative analytical approach is based on the preliminary chemometric extraction of qualitative and quantitative information from UV-vis and IR spectral profiles of a calibration system using independent component analysis (ICA). Using this quantitative model and ICA resolution results of spectral profiling of "unknown" model mixtures, the absolute analyte concentrations in multicomponent mixtures and authentic samples were then calculated without reference solutions. Good recoveries generally between 95% and 105% were obtained. The method can be applied to any spectroscopic data that obey the Beer-Lambert-Bouguer law. The proposed method was tested on analysis of vitamins and caffeine in energy drinks and aromatic hydrocarbons in motor fuel with 10% error. The results demonstrated that the proposed method is a promising tool for rapid simultaneous multicomponent analysis in the case of spectral overlap and the absence/inaccessibility of reference materials.

  20. M5Si3(M=Ti, Nb, Mo) Based Transition-Metal Silicides for High Temperature Applications

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zhihong [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    Transition metal silicides are being considered for future engine turbine components at temperatures up to 1600 C. Although significant improvement in high temperature strength, room temperature fracture toughness has been realized in the past decade, further improvement in oxidation resistance is needed. Oxidation mechanism of Ti5Si3-based alloys was investigated. Oxidation behavior of Ti5Si3-based alloy strongly depends on the atmosphere. Presence of Nitrogen alters the oxidation behavior of Ti5Si3 by nucleation and growth of nitride subscale. Ti5Si3.2and Ti5Si3C0.5 alloys exhibited an excellent oxidation resistance in nitrogen bearing atmosphere due to limited dissolution of nitrogen and increased Si/Ti activity ratio. MoSi2 coating developed by pack cementation to protect Mo-based Mo-Si-B composites was found to be effective up to 1500 C. Shifting coating composition to T1+T2+Mo3Si region showed the possibility to extend the coating lifetime above 1500 C by more than ten times via formation of slow growing Mo3Si or T2 interlayer without sacrificing the oxidation resistance of the coating. The phase equilibria in the Nb-rich portion of Nb-B system has been evaluated experimentally using metallographic analysis and differential thermal analyzer (DTA). It was shown that Nbss (solid solution) and NbB are the only two primary phases in the 0-40 at.% B composition range, and the eutectic reaction L {leftrightarrow} NbSS + NbB was determined to occur at 2104 ± 5 C by DTA.

  1. Silicon and silicide nanowires applications, fabrication, and properties

    CERN Document Server

    Tu, King-Ning

    2013-01-01

    This book comprises theoretical and experimental analysis of various properties of silicon nanocrystals, research methods and preparation techniques, and some promising applications. It comprises nine chapters. The first three are based on processing, the next three on properties, and the last three on applications of nanowires of silicon and silicides.

  2. Effectiveness of a worksite mindfulness-based multi-component intervention on lifestyle behaviors.

    Science.gov (United States)

    van Berkel, Jantien; Boot, Cécile R L; Proper, Karin I; Bongers, Paulien M; van der Beek, Allard J

    2014-01-27

    Overweight and obesity are associated with an increased risk of morbidity. Mindfulness training could be an effective strategy to optimize lifestyle behaviors related to body weight gain. The aim of this study was to evaluate the effectiveness of a worksite mindfulness-based multi-component intervention on vigorous physical activity in leisure time, sedentary behavior at work, fruit intake and determinants of these behaviors. The control group received information on existing lifestyle behavior- related facilities that were already available at the worksite. In a randomized controlled trial design (n = 257), 129 workers received a mindfulness training, followed by e-coaching, lunch walking routes and fruit. Outcome measures were assessed at baseline and after 6 and 12 months using questionnaires. Physical activity was also measured using accelerometers. Effects were analyzed using linear mixed effect models according to the intention-to-treat principle. Linear regression models (complete case analyses) were used as sensitivity analyses. There were no significant differences in lifestyle behaviors and determinants of these behaviors between the intervention and control group after 6 or 12 months. The sensitivity analyses showed effect modification for gender in sedentary behavior at work at 6-month follow-up, although the main analyses did not. This study did not show an effect of a worksite mindfulness-based multi-component intervention on lifestyle behaviors and behavioral determinants after 6 and 12 months. The effectiveness of a worksite mindfulness-based multi-component intervention as a health promotion intervention for all workers could not be established.

  3. Texture in thin film silicides and germanides: A review

    Energy Technology Data Exchange (ETDEWEB)

    De Schutter, B., E-mail: bob.deschutter@ugent.be; De Keyser, K.; Detavernier, C. [Department of Solid State Sciences, Ghent University, Ghent (Belgium); Lavoie, C. [IBM Research Division, T.J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598 (United States)

    2016-09-15

    Silicides and germanides are compounds consisting of a metal and silicon or germanium. In the microelectronics industry, silicides are the material of choice for contacting silicon based devices (over the years, CoSi{sub 2}, C54-TiSi{sub 2}, and NiSi have been adopted), while germanides are considered as a top candidate for contacting future germanium based electronics. Since also strain engineering through the use of Si{sub 1−x}Ge{sub x} in the source/drain/gate regions of MOSFET devices is an important technique for improving device characteristics in modern Si-based microelectronics industry, a profound understanding of the formation of silicide/germanide contacts to silicon and germanium is of utmost importance. The crystallographic texture of these films, which is defined as the statistical distribution of the orientation of the grains in the film, has been the subject of scientific studies since the 1970s. Different types of texture like epitaxy, axiotaxy, fiber, or combinations thereof have been observed in such films. In recent years, it has become increasingly clear that film texture can have a profound influence on the formation and stability of silicide/germanide contacts, as it controls the type and orientation of grain boundaries (affecting diffusion and agglomeration) and the interface energy (affecting nucleation during the solid-state reaction). Furthermore, the texture also has an impact on the electrical characteristics of the contact, as the orientation and size of individual grains influences functional properties such as contact resistance and sheet resistance and will induce local variations in strain and Schottky barrier height. This review aims to give a comprehensive overview of the scientific work that has been published in the field of texture studies on thin film silicide/germanide contacts.

  4. Design of a Digital-Based, Multicomponent Nutrition Guidance System for Prevention of Early Childhood Obesity

    Directory of Open Access Journals (Sweden)

    Keriann H. Uesugi

    2016-01-01

    Full Text Available Interventions targeting parenting focused modifiable factors to prevent obesity and promote healthy growth in the first 1000 days of life are needed. Scale-up of interventions to global populations is necessary to reverse trends in weight status among infants and toddlers, and large scale dissemination will require understanding of effective strategies. Utilizing nutrition education theories, this paper describes the design of a digital-based nutrition guidance system targeted to first-time mothers to prevent obesity during the first two years. The multicomponent system consists of scientifically substantiated content, tools, and telephone-based professional support delivered in an anticipatory and sequential manner via the internet, email, and text messages, focusing on educational modules addressing the modifiable factors associated with childhood obesity. Digital delivery formats leverage consumer media trends and provide the opportunity for scale-up, unavailable to previous interventions reliant on resource heavy clinic and home-based counseling. Designed initially for use in the United States, this system’s core features are applicable to all contexts and constitute an approach fostering healthy growth, not just obesity prevention. The multicomponent features, combined with a global concern for optimal growth and positive trends in mobile internet use, represent this system’s future potential to affect change in nutrition practice in developing countries.

  5. A Robust MEMS Based Multi-Component Sensor for 3D Borehole Seismic Arrays

    Energy Technology Data Exchange (ETDEWEB)

    Paulsson Geophysical Services

    2008-03-31

    The objective of this project was to develop, prototype and test a robust multi-component sensor that combines both Fiber Optic and MEMS technology for use in a borehole seismic array. The use such FOMEMS based sensors allows a dramatic increase in the number of sensors that can be deployed simultaneously in a borehole seismic array. Therefore, denser sampling of the seismic wave field can be afforded, which in turn allows us to efficiently and adequately sample P-wave as well as S-wave for high-resolution imaging purposes. Design, packaging and integration of the multi-component sensors and deployment system will target maximum operating temperature of 350-400 F and a maximum pressure of 15000-25000 psi, thus allowing operation under conditions encountered in deep gas reservoirs. This project aimed at using existing pieces of deployment technology as well as MEMS and fiber-optic technology. A sensor design and analysis study has been carried out and a laboratory prototype of an interrogator for a robust borehole seismic array system has been assembled and validated.

  6. Stratified construction of neural network based interatomic models for multicomponent materials

    Science.gov (United States)

    Hajinazar, Samad; Shao, Junping; Kolmogorov, Aleksey N.

    2017-01-01

    Recent application of neural networks (NNs) to modeling interatomic interactions has shown the learning machines' encouragingly accurate performance for select elemental and multicomponent systems. In this study we explore the possibility of building a library of NN-based models by introducing a hierarchical NN training. In such a stratified procedure NNs for multicomponent systems are obtained by sequential training from the bottom up: first unaries, then binaries, and so on. Advantages of constructing NN sets with shared parameters include acceleration of the training process and intact description of the constituent systems. We use an automated generation of diverse structure sets for NN training on density functional theory-level reference energies. In the test case of Cu, Pd, Ag, Cu-Pd, Cu-Ag, Pd-Ag, and Cu-Pd-Ag systems, NNs trained in the traditional and stratified fashions are found to have essentially identical accuracy for defect energies, phonon dispersions, formation energies, etc. The models' robustness is further illustrated via unconstrained evolutionary structure searches in which the NN is used for the local optimization of crystal unit cells.

  7. Wavelet-based multicomponent denoising on GPU to improve the classification of hyperspectral images

    Science.gov (United States)

    Quesada-Barriuso, Pablo; Heras, Dora B.; Argüello, Francisco; Mouriño, J. C.

    2017-10-01

    Supervised classification allows handling a wide range of remote sensing hyperspectral applications. Enhancing the spatial organization of the pixels over the image has proven to be beneficial for the interpretation of the image content, thus increasing the classification accuracy. Denoising in the spatial domain of the image has been shown as a technique that enhances the structures in the image. This paper proposes a multi-component denoising approach in order to increase the classification accuracy when a classification method is applied. It is computed on multicore CPUs and NVIDIA GPUs. The method combines feature extraction based on a 1Ddiscrete wavelet transform (DWT) applied in the spectral dimension followed by an Extended Morphological Profile (EMP) and a classifier (SVM or ELM). The multi-component noise reduction is applied to the EMP just before the classification. The denoising recursively applies a separable 2D DWT after which the number of wavelet coefficients is reduced by using a threshold. Finally, inverse 2D-DWT filters are applied to reconstruct the noise free original component. The computational cost of the classifiers as well as the cost of the whole classification chain is high but it is reduced achieving real-time behavior for some applications through their computation on NVIDIA multi-GPU platforms.

  8. Agency for Healthcare Research and Quality Evidence-based Practice Center methods for systematically reviewing complex multicomponent health care interventions.

    Science.gov (United States)

    Guise, Jeanne-Marie; Chang, Christine; Viswanathan, Meera; Glick, Susan; Treadwell, Jonathan; Umscheid, Craig A; Whitlock, Evelyn; Fu, Rongwei; Berliner, Elise; Paynter, Robin; Anderson, Johanna; Motu'apuaka, Pua; Trikalinos, Tom

    2014-11-01

    The purpose of this Agency for Healthcare Research and Quality Evidence-based Practice Center methods white paper was to outline approaches to conducting systematic reviews of complex multicomponent health care interventions. We performed a literature scan and conducted semistructured interviews with international experts who conduct research or systematic reviews of complex multicomponent interventions (CMCIs) or organizational leaders who implement CMCIs in health care. Challenges identified include lack of consistent terminology for such interventions (eg, complex, multicomponent, multidimensional, multifactorial); a wide range of approaches used to frame the review, from grouping interventions by common features to using more theoretical approaches; decisions regarding whether and how to quantitatively analyze the interventions, from holistic to individual component analytic approaches; and incomplete and inconsistent reporting of elements critical to understanding the success and impact of multicomponent interventions, such as methods used for implementation the context in which interventions are implemented. We provide a framework for the spectrum of conceptual and analytic approaches to synthesizing studies of multicomponent interventions and an initial list of critical reporting elements for such studies. This information is intended to help systematic reviewers understand the options and tradeoffs available for such reviews. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. Comparison of nickel silicide and aluminium ohmic contact metallizations for low-temperature quantum transport measurements

    Directory of Open Access Journals (Sweden)

    Polley Craig

    2011-01-01

    Full Text Available Abstract We examine nickel silicide as a viable ohmic contact metallization for low-temperature, low-magnetic-field transport measurements of atomic-scale devices in silicon. In particular, we compare a nickel silicide metallization with aluminium, a common ohmic contact for silicon devices. Nickel silicide can be formed at the low temperatures (<400°C required for maintaining atomic precision placement in donor-based devices, and it avoids the complications found with aluminium contacts which become superconducting at cryogenic measurement temperatures. Importantly, we show that the use of nickel silicide as an ohmic contact at low temperatures does not affect the thermal equilibration of carriers nor contribute to hysteresis in a magnetic field.

  10. The discovery of new isocyanide-based multi-component reactions

    NARCIS (Netherlands)

    Dömling, Alexander

    2000-01-01

    Multi-component reactions are finding increasing use in the discovery process of new drugs and agrochemicals. Some years ago they were considered as highly exotic types of organic reactions. Recently, many groups have realized that the field of multi-component reactions is full of new opportunities.

  11. Short-Term Impact of Safer Choices: A Multicomponent, School-Based HIV, Other STD, and Pregnancy Prevention Program.

    Science.gov (United States)

    Coyle, Karin; Basen-Engquist, Karen; Kirby, Douglas; Parcel, Guy; Banspach, Stephen; Harrist, Ronald; Baumler, Elizabeth; Weil, Marsha

    1999-01-01

    Evaluated the effectiveness of the first year of "Safer Choices," a two-year, multicomponent HIV, STD, and pregnancy-prevention program for high school students based on social theory. Student self-report surveys indicated that "Safer Choices" succeeded in reducing selected risk behaviors and in enhancing selected protective…

  12. A finite element method based microwave heat transfer modeling of frozen multi-component foods

    Science.gov (United States)

    Pitchai, Krishnamoorthy

    Microwave heating is fast and convenient, but is highly non-uniform. Non-uniform heating in microwave cooking affects not only food quality but also food safety. Most food industries develop microwavable food products based on "cook-and-look" approach. This approach is time-consuming, labor intensive and expensive and may not result in optimal food product design that assures food safety and quality. Design of microwavable food can be realized through a simulation model which describes the physical mechanisms of microwave heating in mathematical expressions. The objective of this study was to develop a microwave heat transfer model to predict spatial and temporal profiles of various heterogeneous foods such as multi-component meal (chicken nuggets and mashed potato), multi-component and multi-layered meal (lasagna), and multi-layered food with active packages (pizza) during microwave heating. A microwave heat transfer model was developed by solving electromagnetic and heat transfer equations using finite element method in commercially available COMSOL Multiphysics v4.4 software. The microwave heat transfer model included detailed geometry of the cavity, phase change, and rotation of the food on the turntable. The predicted spatial surface temperature patterns and temporal profiles were validated against the experimental temperature profiles obtained using a thermal imaging camera and fiber-optic sensors. The predicted spatial surface temperature profile of different multi-component foods was in good agreement with the corresponding experimental profiles in terms of hot and cold spot patterns. The root mean square error values of temporal profiles ranged from 5.8 °C to 26.2 °C in chicken nuggets as compared 4.3 °C to 4.7 °C in mashed potatoes. In frozen lasagna, root mean square error values at six locations ranged from 6.6 °C to 20.0 °C for 6 min of heating. A microwave heat transfer model was developed to include susceptor assisted microwave heating of a

  13. Interaction mechanism between niobium-silicide-based alloy melt and Y2O3 refractory crucible in vacuum induction melting process

    Directory of Open Access Journals (Sweden)

    Gao Ming

    2011-05-01

    Full Text Available The Y2O3 crucibles were introduced in the study as an alternative to the traditional ceramic ones in vacuum induction melting of multi-component Nb-16Si-22Ti-2Al-2Hf-17Cr (at.% alloys, to reveal the possible interactions between the alloy melt and the refractory crucible. Multiple melting time lengths and two cooling schemes were designed and used for the experiments. The chemical composition and microstructure of the tested alloy and the melt-crucible interaction were investigated and evaluated. In the experiments, Y2O3 crucible displays good physical-chemical compatibility. The results indicate that the increment of O element in the as-cast ingot is 0.03at.%-0.04at.% (72-97 ppm and the increment of Y element is very insignificant. The key features of the alloy melt interacting with Y2O3 ceramics are analyzed and concluded in the paper. As a result of the dissolution reaction xY2O3 (in molten alloy + (1-xHfO2 (impurity →Hf1-xY2xO2-x, a continuous double-layer solid film consisted of HfO2 solid solution (~2 μm and pure HfO2 (~5 μm is formed on the surface of the test ingot after cooled down in the crucible. The experimental results show that the Y2O3 crucible is applicable to the vacuum induction melting of Nb-Si based alloys.

  14. Scintillating Screens Based on the Single Crystalline Films of Multicomponent Garnets: New Achievements and Possibilities

    Science.gov (United States)

    Zorenko, Yuriy; Gorbenko, Vitalii; Zorenko, Tetiana; Paprocki, Kazimierz; Nikl, Martin; Mares, Jiri A.; Bilski, Pawel; Twardak, Anna; Sidletskiy, Oleg; Gerasymov, Iaroslav; Grinyov, Boris; Fedorov, Alexandr

    2016-04-01

    The paper is dedicated to development of the novel scintillating screens based on single crystalline films (SCF) of Ce doped Lu3 - xTbxAl5 - yGayO12 multicomponent garnets at x = 2 - 3 and y = 0 - 2.5 onto Y3Al5O12 (YAG) and Gd3Al2.5Ga2.5O12 (GAGG) substrates using the liquid phase epitaxy (LPE) method. We report the optimized content and high scintillation figure of merit of SCF of these garnets grown by the LPE method with using PbO based flux. Namely, the Tb3Al2.5Ga2.5O12:Ce SCFs possess the highest values of light yield (LY) compared to all earlier investigated SCF samples, with their LY exceeding by 2.35 and 1.15 times the LY values for YAG:Ce and LuAG:Ce SCF scintillators, respectively. The SCFs of the mentioned compounds show very lower thermoluminescence in the above room temperature range and relatively fast scintillation decay.

  15. Composition engineering of single crystalline films based on the multicomponent garnet compounds

    Science.gov (United States)

    Zorenko, Yuriy; Gorbenko, Vitalii; Zorenko, Tetiana; Paprocki, Kazimierz; Bilski, Paweł; Twardak, Anna; Voznyak, Taras; Sidletskiy, Oleg; Gerasimov, Yaroslav; Gryniov, Boris; Fedorov, Alexandr

    2016-11-01

    The paper demonstrates our last achievement in development of the novel scintillating screens based on single crystalline films (SCF) of Ce doped multicomponent garnets using the Liquid Phase Epitaxy (LPE) method. We report in this work the optimized content and excellent scintillation properties of SCF of Lu3-xGdxAl5-yGayO12, Lu3-xTbxAl5-yGayO12 and TbxGdxAl5-yGayO12 garnet compounds grown by the LPE method from PbOsbnd B2O3 based melt-solution onto Gd3Al2.5Ga2.5O12 and YAG substrates. We also show that the Tb1.5Gd1.5Al2.5Ga2.5O12:Ce SCF possess the highest light yield (LY) in comparison with all ever grown garnet SCF scintillators. Namely, the LY of these SCF exceeds by 3.8 and 1.85 times the LY values of the best samples of YAG:Ce and LuAG:Ce SCF scintillators, respectively. The SCF samples of the mentioned compounds show low thermoluminescence in the above room temperature range and relatively fast scintillation decay time t1/e in the 180-200 ns range.

  16. Hot-tearing of multicomponent Al-Cu alloys based on casting load measurements in a constrained permanent mold

    Energy Technology Data Exchange (ETDEWEB)

    Sabau, Adrian S [ORNL; Mirmiran, Seyed [Fiat Chrysler Automobiles North America; Glaspie, Christopher [Fiat Chrysler Automobiles North America; Li, Shimin [Worcester Polytechnic Institute (WPI), MA; Apelian, Diran [Worcester Polytechnic Institute (WPI), MA; Shyam, Amit [ORNL; Haynes, James A [ORNL; Rodriguez, Andres [Nemak, Garza Garcia, N.L., Mexico

    2017-01-01

    Hot-tearing is a major casting defect that is often difficult to characterize, especially for multicomponent Al alloys used for cylinder head castings. The susceptibility of multicomponent Al-Cu alloys to hot-tearing during permanent mold casting was investigated using a constrained permanent mold in which the load and displacement was measured. The experimental results for hot tearing susceptibility are compared with those obtained from a hot-tearing criterion based temperature range evaluated at fraction solids of 0.87 and 0.94. The Cu composition was varied from approximately 5 to 8 pct. (weight). Casting experiments were conducted without grain refining. The measured load during casting can be used to indicate the severity of hot tearing. However, when small hot-tears are present, the load variation cannot be used to detect and assess hot-tearing susceptibility.

  17. Anisotropic thermal expansion of Ni, Pd and Pt germanides and silicides

    Science.gov (United States)

    Geenen, F. A.; Knaepen, W.; Moens, F.; Brondeel, L.; Leenaers, A.; Van den Berghe, S.; Detavernier, C.

    2016-07-01

    Silicon or germanium-based transistors are nowadays used in direct contact with silicide or germanide crystalline alloys for semiconductor device applications. Since these compounds are formed at elevated temperatures, accurate knowledge of the thermal expansion of both substrate and the contact is important to address temperature depending effects such as thermal stress. Here we report the linear coefficients of thermal expansion of Ni-, Pd- and Pt-based mono-germanides, mono-silicides and di-metal-silicides as determined by powder-based x-ray diffraction between 300 and 1225 K. The investigated mono-metallic compounds, all sharing the MnP crystal structure, as well as Pd2Si and Pt2Si exhibit anisotropic expansion. By consequence, this anisotropic behaviour should be taken into account for evaluating the crystal unit’s cell at elevated temperatures.

  18. Multicomponent membranes

    Science.gov (United States)

    Kulprathipanja, Santi; Kulkarni, Sudhir S.; Funk, Edward W.

    1988-01-01

    A multicomponent membrane which may be used for separating various components which are present in a fluid feed mixture comprises a mixture of a plasticizer such as a glycol and an organic polymer cast upon a porous organic polymer support. The membrane may be prepared by casting an emulsion or a solution of the plasticizer and polymer on the porous support, evaporating the solvent and recovering the membrane after curing.

  19. School Based Multicomponent Intervention for Obese Children in Udupi District, South India - A Randomized Controlled Trial.

    Science.gov (United States)

    Nayak, Baby S; Bhat, Vinod H

    2016-12-01

    Childhood obesity and overweight is a global epidemics and has been increasing in the developing countries. Childhood obesity is linked with increased mortality and morbidity independent of adult obesity. Declining physical activity, access to junk food and parenting style are the major determinants of overweight in children. Thus, there is a need for increasing the physical activity of children, educating the parents as well as the children on lifestyle modification. This can be achieved through implementation of multicomponent intervention. To evaluate the effectiveness of multicomponent intervention on improving the lifestyle practices, reducing the body fat and improving the self esteem of obese children from selected schools of Udupi District, South India. A sample of 120 obese children were enrolled for multicomponent intervention. The components of multicomponent intervention were: education provided to the obese children on lifestyle modification, education of the parents and increasing the physical education activity of these children in the form of aerobics under the supervision of physical education teacher. There was an attrition of 25% in the intervention group. Thus the final sample in the intervention group was 90. Total sample of 131 overweight/ obese children enrolled as controls. There was an attrition of 20.61% in the control group. Thus, the final sample in the control group was 104. Intervention group received the multicomponent intervention for six month. Mixed Method Repeated measures Ananlysis of Variance (ANOVA) was applied for analysis of data. Results indicated that the intervention was effective in reducing the Body Mass Index (BMI), triceps, biceps, subscapular skin fold thickness of obese children. The intervention was also effective in improving the lifestyle practices and self-esteem of obese children. Overweight/obese children need to control diet and perform vigorous exercise at least for 20 minutes a day to reduce the excess fat

  20. Thermoelectric Properties of Semiconducting Silicide Nanowires

    Science.gov (United States)

    Jin, Song; Sczech, Jeannine; Higgins, Jeremy; Zhou, Feng; Shi, Li

    2008-03-01

    Semiconducting silicides are promising thermoelectric materials. In addition to their respectable thermoelectric figure-of-merit (ZT up to 0.8), silicides have the advantages of low cost, excellent thermal stability and mechanical strength, and outstanding oxidation resistance, making them suitable for high temperature applications. We have developed general synthetic approaches to single crystal nanowires of silicides to investigate the enhancement of thermoelectric properties due to the reduced nanoscale dimension and to explore their applications in thermoelectrics. We will discuss the synthesis and structural characterization of nanowires of chromium disilicide (CrSi2) prepared via a chemical vapor transport (CVT) method and chemical vapor deposition (CVD) of organometallic precursors to synthesize the Novontony Chimney ladder phase MnSi1.75. The Seebeck coefficient, electrical conductivity, and thermal conductivity of individual CrSi2 nanowires were characterized using a suspended microdevice and correlated with the structural information obtained by microscopy on the same nanowires. This combined Seebeck coefficient and electrical conductivity measurements also provide an effective approach to probing the Fermi level, carrier concentration and mobility in nanowires. We will also discuss our progress in using individual nanostructures combined well-defined structural characterization to conclusively investigate the complex thermoelectric behaviors of silicide materials.

  1. Pharmaceutical cocrystals, salts and multicomponent systems; intermolecular interactions and property based design.

    Science.gov (United States)

    Berry, David J; Steed, Jonathan W

    2017-08-01

    As small molecule drugs become harder to develop and less cost effective for patient use, efficient strategies for their property improvement become increasingly important to global health initiatives. Improvements in the physical properties of Active Pharmaceutical Ingredients (APIs), without changes in the covalent chemistry, have long been possible through the application of binary component solids. This was first achieved through the use of pharmaceutical salts, within the last 10-15years with cocrystals and more recently coamorphous systems have also been consciously applied to this problem. In order to rationally discover the best multicomponent phase for drug development, intermolecular interactions need to be considered at all stages of the process. This review highlights the current thinking in this area and the state of the art in: pharmaceutical multicomponent phase design, the intermolecular interactions in these phases, the implications of these interactions on the material properties and the pharmacokinetics in a patient. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Instantaneous low temperature gelation by a multicomponent organogelator liquid system based on ammonium salts.

    Science.gov (United States)

    García Velázquez, Daniel; Díaz Díaz, David; Gutiérrez Ravelo, Angel; Marrero Tellado, José Juan

    2008-06-25

    A new synergistic multicomponent organogelator liquid system (MOGLS) was discovered during the standard protocol of tartaric acid-mediated racemic resolution of (+/-)- trans-1,2-diaminocyclohexane. The MOGLS is formed by a 0.126 M methanolic solution of (1 R,2 R)-(+)-1,2-diaminocyclohexane L-tartrate and 1 equiv of concentrated hydrochloric acid. Nonreversible gelation of oxygenated and nitrogenated solvents occurs efficiently at low temperature. Several features make this system unique: (1) it is a multicomponent solution where each of the five components is required for the organogelation property; (2) the multicomponent organogelator liquid system (MOGLS) is formed by simple, small, and commercially available chiral building blocks dissolved in a well-defined solvent system (MeOH/HCl/H2O); (3) the chiral building blocks are easily amenable for further modifications in structure-property relationship studies; (4) the gelation phenomenon takes place efficiently at low temperature upon warming up the isotropic solution, conversely to the typical gel preparation protocol (gel formation upon cooling down the isotropic solution); (5) the formed organic gels are not thermoreversible in spite of the noncovalent interactions that hold the 3D-fibrillar network together.

  3. XRD and XPS characterisation of transition metal silicide thin films

    Science.gov (United States)

    Tam, P. L.; Cao, Y.; Nyborg, L.

    2012-02-01

    Binary transition metal silicides based on the systems Ti-Si, Fe-Si, Ni-Si and Cr-Si were fabricated on Si wafers by means of ion-beam co-sputter deposition and subsequent annealing. The crystalline structures of the phases formed were identified from the characteristic patterns acquired by means of X-ray diffraction (XRD) measurements. The phase formation sequences were described by means of the Pretorius' effective heat of formation (EHF) model. For the Ti-Si, Fe-Si and Ni-Si systems, single phase thin films of TiSi2, β-FeSi2 and NiSi2 were generated as the model predicts, while a mixture of CrSi + CrSi2 phases was obtained for the Cr-Si system. The surface chemical condition of individual specimens was analysed by using X-ray photoelectron spectroscopy (XPS). The chemical shifts of transition metal 2p3/2 peaks from their metallic to silicide states were depicted by means of the Auger parameters and the Wagner plots. The positive chemical shift of 2.0 eV for Ni 2p3/2 peak of NiSi2 is mainly governed by the initial-state effects. For the other silicide specimens, the initial-state and final-state effects may oppose one another with similar impact. Consequently, smaller binding energy shifts of both negative and positive character are noted; a positive binding energy shift of 0.3 eV for the Fe 2p3/2 level was shown for β-FeSi2 and negative binding energy shifts of 0.1 and 0.3 eV were determined for CrSi + CrSi2 and TiSi2, respectively.

  4. The Shaping Healthy Choices Program: design and implementation methodologies for a multicomponent, school-based nutrition education intervention.

    Science.gov (United States)

    Scherr, Rachel E; Linnell, Jessica D; Smith, Martin H; Briggs, Marilyn; Bergman, Jacqueline; Brian, Kelley M; Dharmar, Madan; Feenstra, Gail; Hillhouse, Carol; Keen, Carl L; Nguyen, Lori M; Nicholson, Yvonne; Ontai, Lenna; Schaefer, Sara E; Spezzano, Theresa; Steinberg, Francene M; Sutter, Carolyn; Wright, Janel E; Young, Heather M; Zidenberg-Cherr, Sheri

    2014-01-01

    To provide a framework for implementation of multicomponent, school-based nutrition interventions. This article describes the research methods for the Shaping Healthy Choices Program, a model to improve nutrition and health-related knowledge and behaviors among school-aged children. Longitudinal, pretest/posttest, randomized, controlled intervention. Four elementary schools in California. Fourth-grade students at intervention (n = 252) and control (n = 238) schools and their parents and teachers. Power analyses demonstrate that a minimum of 159 students per group will be needed to achieve sufficient power. The sample size was determined using the variables of nutrition knowledge, vegetable preference score, and body mass index percentile. A multicomponent school-based nutrition education intervention over 1 academic year, followed by activities to support sustainability of the program. Dietary and nutrition knowledge and behavior, critical thinking skills, healthy food preferences and consumption, and physical activity will be measured using a nutrition knowledge questionnaire, a food frequency questionnaire, a vegetable preferences assessment tool, the Test of Basic Science Process Skills, digital photography of plate waste, PolarActive accelerometers, anthropometrics, a parent questionnaire, and the School and Community Actions for Nutrition survey. Evaluation will include quantitative and qualitative measures. Quantitative data will use paired t, chi-square, and Mann-Whitney U tests and regression modeling using P = .05 to determine statistical significance. Copyright © 2014 Society for Nutrition Education and Behavior. Published by Elsevier Inc. All rights reserved.

  5. Study Of Multicomponent Fluoro-phosphate Based Glasses: Ho3+ As A Luminescence Center

    OpenAIRE

    Babu; Seshadri, S; M.; Balakrishna; Prasad, A; V. Reddy; Ratnakaram; {Joshi} Y.~C.

    2016-01-01

    The multicomponent 49.5P(2)O(5)-10AlF(3)-10BaF(2)-10SrF(2)-10PbO-10M (M=Li2O, Na2O, K2O, ZnO and Bi2O3) glasses doped with 0.5 mol% holmium were prepared by melt quenching technique. Their thermal behavior was examined from differential scanning calorimetry (DSC). It is found that bismuth fluorophosphate glass matrix has good thermal stability. Their structures were characterized by the X-ray diffraction with SEM analysis, fourier transform infrared (FTIR), Raman spectroscopy and magic angle ...

  6. Fusion silicide coatings for tantalum alloys.

    Science.gov (United States)

    Warnock, R. V.; Stetson, A. R.

    1972-01-01

    Calculation of the performance of fusion silicide coatings under simulated atmospheric reentry conditions to a maximum temperature of 1810 K (2800 F). Both recently developed and commercially available coatings are included. Data are presented on oxidation rate with and without intentional defecting, the influence of the coatings on the ductile-brittle bend transition temperature, and the mechanical properties. Coatings appear capable of affording protection for at least 100 simulated cycles to 2600 F and 63 cycles to 2800 F.

  7. High Performance Multi-GPU SpMV for Multi-component PDE-Based Applications

    KAUST Repository

    Abdelfattah, Ahmad

    2015-07-25

    Leveraging optimization techniques (e.g., register blocking and double buffering) introduced in the context of KBLAS, a Level 2 BLAS high performance library on GPUs, the authors implement dense matrix-vector multiplications within a sparse-block structure. While these optimizations are important for high performance dense kernel executions, they are even more critical when dealing with sparse linear algebra operations. The most time-consuming phase of many multicomponent applications, such as models of reacting flows or petroleum reservoirs, is the solution at each implicit time step of large, sparse spatially structured or unstructured linear systems. The standard method is a preconditioned Krylov solver. The Sparse Matrix-Vector multiplication (SpMV) is, in turn, one of the most time-consuming operations in such solvers. Because there is no data reuse of the elements of the matrix within a single SpMV, kernel performance is limited by the speed at which data can be transferred from memory to registers, making the bus bandwidth the major bottleneck. On the other hand, in case of a multi-species model, the resulting Jacobian has a dense block structure. For contemporary petroleum reservoir simulations, the block size typically ranges from three to a few dozen among different models, and still larger blocks are relevant within adaptively model-refined regions of the domain, though generally the size of the blocks, related to the number of conserved species, is constant over large regions within a given model. This structure can be exploited beyond the convenience of a block compressed row data format, because it offers opportunities to hide the data motion with useful computations. The new SpMV kernel outperforms existing state-of-the-art implementations on single and multi-GPUs using matrices with dense block structure representative of porous media applications with both structured and unstructured multi-component grids.

  8. Healthy whole-grain choices for children and parents: a multi-component school-based pilot intervention.

    Science.gov (United States)

    Burgess-Champoux, Teri L; Chan, Hing Wan; Rosen, Renee; Marquart, Len; Reicks, Marla

    2008-08-01

    The aim of the present study was to pilot-test a school-based intervention designed to increase consumption of whole grains by 4th and 5th grade children. This multi-component school-based pilot intervention utilised a quasi-experimental study design (intervention and comparison schools) that consisted of a five-lesson classroom curriculum based on Social Cognitive Theory, school cafeteria menu modifications to increase the availability of whole-grain foods and family-oriented activities. Meal observations of children estimated intake of whole grains at lunch. Children and parents completed questionnaires to assess changes in knowledge, availability, self-efficacy, usual food choice and role modelling. Parent/child pairs from two schools in the Minneapolis metropolitan area; 67 in the intervention and 83 in the comparison school. Whole-grain consumption at the lunch meal increased by 1 serving (P < 0.0001) and refined-grain consumption decreased by 1 serving for children in the intervention school compared with the comparison school post-intervention (P < 0.001). Whole-grain foods were more available in the lunches served to children in the intervention school compared with the comparison school post-intervention (P < 0.0001). The ability to identify whole-grain foods by children in both schools increased, with a trend towards a greater increase in the intervention school (P = 0.06). Parenting scores for scales for role modelling (P < 0.001) and enabling behaviours (P < 0.05) were significantly greater for parents in the intervention school compared with the comparison school post-intervention. The multi-component school-based programme implemented in the current study successfully increased the intake of whole-grain foods by children.

  9. The inhibition of the adhesion of clinically isolated bacterial strains on multi-component cross-linked poly(ethylene glycol)-based polymer coatings

    NARCIS (Netherlands)

    Fernandez, Isabel C. Saldarriaga; van der Mei, Henny C.; Lochhead, Michael J.; Grainger, David W.; Busscher, Henk J.

    2007-01-01

    This study examined bacterial adhesion to a new multi-component cross-linked poly(ethylene glycol)-based polymer coating that can be applied by spin-coating or spraying onto diverse biomaterials. Adhesion of five clinically isolated bacterial strains involved in biomaterial-centered infections were

  10. Temperature and Stress Simulation of 4H-SiC during Laser-Induced Silicidation for Ohmic Contact Generation

    Directory of Open Access Journals (Sweden)

    Benedikt Adelmann

    2017-12-01

    Full Text Available We report here on the simulation of temperature and stress evolution of 4H-SiC during laser-induced silicidation to locally generate ohmic contacts between the semiconductor and nickel metallization. The simulation is based on optical free carrier absorption, thermal conduction, and thermal radiation. Our results show that, during laser irradiation, similar temperatures and correspondingly similar contact resistances, as compared to conventional oven-driven annealing processes, are achievable, yet with the advantageous potential to limit the temperature treatment spatially to the desired regions for electrical contacts and without the necessity of heating complete wafers. However, due to temperature gradients during local laser silicidation, thermal induced stress appears, which may damage the SiC wafer. Based on the simulated results for temperature and stress increase, we identify an optimized regime for laser-induced local silicidation and compare it to experimental data and observations.

  11. Radiation damage buildup and dislocation evolution in Ni and equiatomic multicomponent Ni-based alloys

    Science.gov (United States)

    Levo, E.; Granberg, F.; Fridlund, C.; Nordlund, K.; Djurabekova, F.

    2017-07-01

    Single-phase multicomponent alloys of equal atomic concentrations (;equiatomic;) have proven to exhibit promising mechanical and corrosion resistance properties, that are sought after in materials intended for use in hazardous environments like next-generation nuclear reactors. In this article, we investigate the damage production and dislocation mobility by simulating irradiation of elemental Ni and the alloys NiCo, NiCoCr, NiCoFe and NiFe, to assess the effect of elemental composition. We compare the defect production and the evolution of dislocation networks in the simulation cells of two different sizes, for all five studied materials. We find that the trends in defect evolution are in good agreement between the different cell sizes. The damage is generally reduced with increased alloy complexity, and the dislocation evolution is specific to each material, depending on its complexity. We show that increasing complexity of the alloys does not always lead to decreased susceptibility to damage accumulation under irradiation. We show that, for instance, the NiCo alloy behaves very similarly to Ni, while presence of Fe or Cr in the alloy even as a third component reduces the saturated level of damage substantially. Moreover, we linked the defect evolution with the dislocation transformations in the alloys. Sudden drops in defect number and large defect fluctuations from the continuous irradiation can be explained from the dislocation activity.

  12. Oral Nanomedicine Based on Multicomponent Microemulsions for Drug-Resistant Breast Cancer Treatment.

    Science.gov (United States)

    Qu, Ding; Wang, Lixiang; Liu, Meng; Shen, Shiyang; Li, Teng; Liu, Yuping; Huang, Mengmeng; Liu, Congyan; Chen, Yan; Mo, Ran

    2017-04-10

    The aim of this study is to demonstrate the enhanced therapeutic efficacy of anticancer drugs on drug-resistant breast cancer using multicomponent microemulsions (ECG-MEs) as an oral delivery system. The etoposide-loaded ECG-MEs were composed of coix seed oil and ginsenoside Rh2 (G-Rh2), both of which possess not only the synergistic antitumor effect with etoposide, but also have excipient-like properties. Orally administrated ECG-MEs were demonstrated to be able to accumulate at the tumor site following crossing the intestines as intact vehicles into the blood circulation. The spatiotemporal controlled release characteristics of ECG-MEs brought about the efficient P-gp inhibition by the initially released G-Rh2 and the increased intracellular accumulation of the sequentially released etoposide. The combination antitumor activity of etoposide, G-Rh2 and coix seed oil using ECG-MEs was verified on the xenograft drug-resistant breast tumor mouse models. In addition, the safety evaluation studies indicated that treatment with ECG-MEs did not cause any significant toxicity in vivo. These findings suggest that ECG-MEs as an oral formulation may offer a promising strategy to treat the drug-resistant breast cancer.

  13. Development of a multicomponent vaccine for Streptococcus pyogenes based on the antigenic targets of IVIG.

    Science.gov (United States)

    Reglinski, Mark; Lynskey, Nicola N; Choi, Yoon Jung; Edwards, Robert J; Sriskandan, Shiranee

    2016-04-01

    Despite over a century of research and the careful scrutiny of many promising targets, there is currently no vaccine available for the prevention of Streptococcus pyogenes infection. Through analysis of the protective, anti-streptococcal components of pooled human immunoglobulin, we previously identified ten highly conserved and invariant S. pyogenes antigens that contribute to anti-streptococcal immunity in the adult population. We sought to emulate population immunity to S. pyogenes through a process of active vaccination, using the antigens targeted by pooled human immunoglobulin. Seven targets were produced recombinantly and mixed to form a multicomponent vaccine (Spy7). Vaccinated mice were challenged with S. pyogenes isolates representing four globally relevant serotypes (M1, M3, M12 and M89) using an established model of invasive disease. Vaccination with Spy7 stimulated the production of anti-streptococcal antibodies, and limited systemic dissemination of M1 and M3 S. pyogenes from an intramuscular infection focus. Vaccination additionally attenuated disease severity due to M1 S. pyogenes as evidenced by reduction in weight loss, and modulated cytokine release. Spy7 vaccination successfully stimulated the generation of protective anti-streptococcal immunity in vivo. Identification of reactive antigens using pooled human immunoglobulin may represent a novel route to vaccine discovery for extracellular bacteria. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  14. Fabrication and Gas-Sensing Properties of Ni-Silicide/Si Nanowires

    OpenAIRE

    Hsu, Hsun-Feng; Chen, Chun-An; Liu, Shang-Wu; Tang, Chun-Kai

    2017-01-01

    Ni-silicide/Si nanowires were fabricated by atomic force microscope nano-oxidation on silicon-on-insulator substrates, selective wet etching, and reactive deposition epitaxy. Ni-silicide nanocrystal-modified Si nanowire and Ni-silicide/Si heterostructure multi-stacked nanowire were formed by low- and high-coverage depositions of Ni, respectively. The Ni-silicide/Si Schottky junction and Ni-silicide region were attributed high- and low-resistance parts of nanowire, respectively, causing the re...

  15. Development of molecular dynamics potential for uranium silicide fuels

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Jianguo; Zhang, Yongfeng; Hales, Jason D.

    2016-09-01

    Use of uranium–silicide (U-Si) in place of uranium dioxide (UO2) is one of the promising concepts being proposed to increase the accident tolerance of nuclear fuels. This is due to a higher thermal conductivity than UO2 that results in lower centerline temperatures. U-Si also has a higher fissile density, which may enable some new cladding concepts that would otherwise require increased enrichment limits to compensate for their neutronic penalty. However, many critical material properties for U-Si have not been determined experimentally. For example, silicide compounds (U3Si2 and U3Si) are known to become amorphous under irradiation. There was clear independent experimental evidence to support a crystalline to amorphous transformation in those compounds. However, it is still not well understood how the amorphous transformation will affect on fuel behavior. It is anticipated that modeling and simulation may deliver guidance on the importance of various properties and help prioritize experimental work. In order to develop knowledge-based models for use at the engineering scale with a minimum of empirical parameters and increase the predictive capabilities of the developed model, inputs from atomistic simulations are essential. First-principles based density functional theory (DFT) calculations will provide the most reliable information. However, it is probably not possible to obtain kinetic information such as amorphization under irradiation directly from DFT simulations due to size and time limitations. Thus, a more feasible way may be to employ molecular dynamics (MD) simulation. Unfortunately, so far no MD potential is available for U-Si to discover the underlying mechanisms. Here, we will present our recent progress in developing a U-Si potential from ab initio data. This work is supported by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program funded by the U.S. Department of Energy, Office of Nuclear Energy.

  16. Thermoelectric properties of group VI metal silicide semiconductors

    Science.gov (United States)

    Nonomura, T.; Wen, C.; Kato, A.; Isobe, K.; Kubota, Y.; Nakamura, T.; Yamashita, M.; Hayakawa, Y.; Tatsuoka, H.

    The electrical and thermoelectric properties of group VI metal silicides, such as the Mo- and W-silicides as well as CrSi2, were investigated. The electronic band structures of the hexagonal- MoSi2, - WSi2 and CrSi2, were calculated using the first-principles total-energy calculation program in pseudopotential schemes with plane-wave basis functions, and their Seebeck coefficients were also calculated. In addition, the Mo- and W-silicides were synthesized using mechanical alloying followed by a spark plasma sintering technique, and their structural, electric and thermoelectric properties were examined.

  17. Multi-component coordination-driven self-assembly: construction of alkyl-based structures and molecular modelling.

    Science.gov (United States)

    Pollock, J Bryant; Cook, Timothy R; Schneider, Gregory L; Stang, Peter J

    2013-10-01

    The design of supramolecular coordination complexes (SCCs) is typically predicated on the use of rigid molecular building blocks through which the structural outcome is determined based on the number and orientation of labile coordination sites on metal acceptors, and the angularity of the ligand donors that are to bridge these nodes. Three-component systems extend the complexity of self-assembly by utilizing two different Lewis base donors in concert with a metal that favors a heteroligated coordination environment. The thermodynamic preference for heteroligation provides a new design principle to the formation of SCCs, wherein multicomponent architectures need not employ only rigid donors. Herein, we exploit the self-selection processes of bis(phosphine) Pt(II) metal centers which favor mixed Pt(pyridyl)(carboxylate) coordination spheres over their homoligated counterparts, specifically using alkyl-based dicarboxylate ligands instead of traditionally rigid phenyl, alkenyl, or ethynyl variants. Using this mode of assembly, flexible-based 2D and 3D SCCs containing long alkyl chains were synthesized and characterized. Density functional theory (DFT) and natural population analysis (NPA) calculations were performed on model systems to probe the thermodynamic preference for heteroligated coordination spheres in the experimental systems. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Development of technology for obtaining multi-component hard and superhard alloys based on Ti, Si, W and others using ionizing radiation

    OpenAIRE

    A. Kupchishin; E. Shmygalev; T. Shmygaleva; Zhaksyntay Kairbekov

    2012-01-01

    Complex researches on creation of scientific bases of receiving new and perspective firm and superfirm materials with use of bunches of particles are carried out. Bases of radiating technology of receiving multicomponent firm and superfirm alloys on the basis of Ti, by Si, W, etc., high-energy bunches of ions, electrons, thermoinfluence and the microwave oven are developed. Works on search and a choice of modes radiating and the microwave oven of processing of powders, components of polymers ...

  19. Study of multicomponent fluoro-phosphate based glasses: Ho3+ as a luminescence center

    Science.gov (United States)

    Babu, S.; Seshadri, M.; Balakrishna, A.; Reddy Prasad, V.; Ratnakaram, Y. C.

    2015-12-01

    The multicomponent 49.5P2O5-10AlF3-10BaF2-10SrF2-10PbO-10M (M=Li2O, Na2O, K2O, ZnO and Bi2O3) glasses doped with 0.5 mol% holmium were prepared by melt quenching technique. Their thermal behavior was examined from differential scanning calorimetry (DSC). It is found that bismuth fluoro-phosphate glass matrix has good thermal stability. Their structures were characterized by the X-ray diffraction with SEM analysis, fourier transform infrared (FTIR), Raman spectroscopy and magic angle spinning (MAS) nuclear magnetic resonance (NMR) techniques. It was found that the phosphate network of these glasses was composed mainly of Q2 and Q3 phosphate tetrahedral units. The Judd-Ofelt parameters (J-O) (Ω2, Ω4 and Ω6) were evaluated from the intensities of the energy levels through optical absorption spectra. The most intense transitions are observed in the visible region of the spectrum. It is observed that the transition 5I8→5G6 is the hypersensitive transition for Ho3+ ion. With these J-O parameters, various radiative properties like the probabilities of radiative transitions, radiative lifetimes and branching ratios have been calculated for different fluoro-phosphate glasses. The luminescence kinetics from excited holmium levels have been studied upon selective excitation through photoluminescence measurements. Holmium produces two visible laser emissions i.e. one is green (5F4(5S2)→5I8) and another one is red (5F5→5I8). The lifetimes of these levels have been experimentally determined through decay profile studies. The above results suggest that the prepared bismuth fluoro-phosphate glass system could be a suitable candidate for using it as a green laser source (5F4(5S2)→5I8) in the visible region of the spectrum.

  20. Study of multicomponent fluoro-phosphate based glasses: Ho{sup 3+} as a luminescence center

    Energy Technology Data Exchange (ETDEWEB)

    Babu, S. [Department of Physics, Sri Venkateswara University, Tirupati, 517502 Andhra Pradesh (India); Seshadri, M. [Institute of Physics, University of Campinas, UNICAMP, P.O. Box 6165, Campinas 13083-970 (Brazil); Balakrishna, A.; Reddy Prasad, V. [Department of Physics, Sri Venkateswara University, Tirupati, 517502 Andhra Pradesh (India); Ratnakaram, Y.C., E-mail: ratnakaramsvu@gmail.com [Department of Physics, Sri Venkateswara University, Tirupati, 517502 Andhra Pradesh (India)

    2015-12-15

    The multicomponent 49.5P{sub 2}O{sub 5}–10AlF{sub 3}–10BaF{sub 2}–10SrF{sub 2}–10PbO–10M (M=Li{sub 2}O, Na{sub 2}O, K{sub 2}O, ZnO and Bi{sub 2}O{sub 3}) glasses doped with 0.5 mol% holmium were prepared by melt quenching technique. Their thermal behavior was examined from differential scanning calorimetry (DSC). It is found that bismuth fluoro-phosphate glass matrix has good thermal stability. Their structures were characterized by the X-ray diffraction with SEM analysis, fourier transform infrared (FTIR), Raman spectroscopy and magic angle spinning (MAS) nuclear magnetic resonance (NMR) techniques. It was found that the phosphate network of these glasses was composed mainly of Q{sup 2} and Q{sup 3} phosphate tetrahedral units. The Judd–Ofelt parameters (J–O) (Ω{sub 2}, Ω{sub 4} and Ω{sub 6}) were evaluated from the intensities of the energy levels through optical absorption spectra. The most intense transitions are observed in the visible region of the spectrum. It is observed that the transition {sup 5}I{sub 8}→{sup 5}G{sub 6} is the hypersensitive transition for Ho{sup 3+} ion. With these J–O parameters, various radiative properties like the probabilities of radiative transitions, radiative lifetimes and branching ratios have been calculated for different fluoro-phosphate glasses. The luminescence kinetics from excited holmium levels have been studied upon selective excitation through photoluminescence measurements. Holmium produces two visible laser emissions i.e. one is green ({sup 5}F{sub 4}({sup 5}S{sub 2})→{sup 5}I{sub 8} ) and another one is red ({sup 5}F{sub 5}→{sup 5}I{sub 8}). The lifetimes of these levels have been experimentally determined through decay profile studies. The above results suggest that the prepared bismuth fluoro-phosphate glass system could be a suitable candidate for using it as a green laser source ({sup 5}F{sub 4}({sup 5}S{sub 2})→{sup 5}I{sub 8} ) in the visible region of the spectrum. - Highlights:

  1. Performance optimization of Sparse Matrix-Vector Multiplication for multi-component PDE-based applications using GPUs

    KAUST Repository

    Abdelfattah, Ahmad

    2016-05-23

    Simulations of many multi-component PDE-based applications, such as petroleum reservoirs or reacting flows, are dominated by the solution, on each time step and within each Newton step, of large sparse linear systems. The standard solver is a preconditioned Krylov method. Along with application of the preconditioner, memory-bound Sparse Matrix-Vector Multiplication (SpMV) is the most time-consuming operation in such solvers. Multi-species models produce Jacobians with a dense block structure, where the block size can be as large as a few dozen. Failing to exploit this dense block structure vastly underutilizes hardware capable of delivering high performance on dense BLAS operations. This paper presents a GPU-accelerated SpMV kernel for block-sparse matrices. Dense matrix-vector multiplications within the sparse-block structure leverage optimization techniques from the KBLAS library, a high performance library for dense BLAS kernels. The design ideas of KBLAS can be applied to block-sparse matrices. Furthermore, a technique is proposed to balance the workload among thread blocks when there are large variations in the lengths of nonzero rows. Multi-GPU performance is highlighted. The proposed SpMV kernel outperforms existing state-of-the-art implementations using matrices with real structures from different applications. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  2. Aluminium alloyed iron-silicide/silicon solar cells: A simple approach for low cost environmental-friendly photovoltaic technology.

    Science.gov (United States)

    Kumar Dalapati, Goutam; Masudy-Panah, Saeid; Kumar, Avishek; Cheh Tan, Cheng; Ru Tan, Hui; Chi, Dongzhi

    2015-12-03

    This work demonstrates the fabrication of silicide/silicon based solar cell towards the development of low cost and environmental friendly photovoltaic technology. A heterostructure solar cells using metallic alpha phase (α-phase) aluminum alloyed iron silicide (FeSi(Al)) on n-type silicon is fabricated with an efficiency of 0.8%. The fabricated device has an open circuit voltage and fill-factor of 240 mV and 60%, respectively. Performance of the device was improved by about 7 fold to 5.1% through the interface engineering. The α-phase FeSi(Al)/silicon solar cell devices have promising photovoltaic characteristic with an open circuit voltage, short-circuit current and a fill factor (FF) of 425 mV, 18.5 mA/cm(2), and 64%, respectively. The significant improvement of α-phase FeSi(Al)/n-Si solar cells is due to the formation p(+-)n homojunction through the formation of re-grown crystalline silicon layer (~5-10 nm) at the silicide/silicon interface. Thickness of the regrown silicon layer is crucial for the silicide/silicon based photovoltaic devices. Performance of the α-FeSi(Al)/n-Si solar cells significantly depends on the thickness of α-FeSi(Al) layer and process temperature during the device fabrication. This study will open up new opportunities for the Si based photovoltaic technology using a simple, sustainable, and los cost method.

  3. Oxidation behavior of multiphase molybdenum-molybdenum silicide-molybdenum silicide boride intermetallics

    Science.gov (United States)

    Dheeradhada, Voramon Supatarawanich

    Multiphase Mo-Mo3Si-Mo5SiB2(T2) alloys of various compositions and microstructures were investigated for oxidation resistance at 800 and 1300°C. The alloys varied in Si/B ratio from 1:1 to 1:2 and their microstructures were processed to have the Mo phase distributed as a continuous phase or as discrete particles. At 800°C, the alloys exhibited poor oxidation resistance regardless of Si/B ratio or their microstructures. Oxide scale consisted of MoO 3 and boron-containing glass. Alloys with lower Si/B ratio yielded silicate glass with lower viscosity that resulted in lower weight loss compared to the high Si/B ratio alloys. Intermediate layers of Mo and Mo-Si-O were observed adjacent to Mo5SiB2 and Mo3Si phases, respectively. At 1300°C, the multiphase alloys developed a protective glass scale with an intermediate layer of (Mo+glass) between the base alloy and outer glass scale. Boron-lean silicate glass was essential for the protection from further oxidation. For oxidation resistance at 1300°C, alloys require a high Si/B ratio. In terms of microstructures, the multiphase alloys consisting of small Mo particles uniformly dispersed in fine spacing of silicide phases provide better oxidation resistance than the alloys with continuous Mo dendrites. Glass preferentially formed at Mo3Si rather than at T2 phase. Vapor-solid diffusion experiments were carried out with single phase alloys containing either Mo3Si or T2 as the major phase, and the multiphase Mo-10Si-10B(at%) alloy. The alloys were exposed to vacuum to induce silicon loss resulting in the formation of a Mo layer. In addition, microprobe analysis was carried out for the determination of composition profiles across the (Mo+glass) layer and the external glass scale formed on the Mo-13.2Si-13.2B (at%) alloy oxidized at 1300°C. The microprobe data were analyzed for interdiffusion fluxes and interdiffusion coefficients with the aid of a computer program called "MultiDiFlux (c)". The effective interdiffusion

  4. Effectiveness Of A School-Based Multicomponent Intervention On Nutritional Status Among Primary School Children In Bangkok, Thailand.

    Science.gov (United States)

    Chawla, Nattapon; Panza, Alessio; Sirikulchayanonta, Chutima; Kumar, Ramesh; Taneepanichskul, Surasak

    2017-01-01

    Childhood obesity has become a major public health issue today. The prevalence of obesity and overweight is increasing in both adults and children. Childhood obesity in Thailand has more than doubled since the 1960s and a recent study reported that overweight and obesity in Thais is the 5th highest in Asia. The present study objective was to evaluate the effectiveness of a life-skills, multicomponent, school-based intervention on child nutritional status. A quasi-experimental design was conducted in two-groups (control and intervention schools) on 453 students attending grade levels 4-5 in Bangkok. Two schools were selected for control, and two schools for intervention groups. The interventions included education, diet, physical activity (PA), food-environment, school builtenvironment, and life-skills components. Subjects were measured at baseline and at 6 months post-treatment. The intervention group had significant differences in overall healthy practices (+1.5 mean difference, p=0.048), dietary habits, physical activity, lower total cholesterol (TC) levels (-2.43 mean, p=0.019) and higher high density lipoprotein cholesterol (HDL-C) levels (+4.06 p=0.028) as compared to the control. A higher reduction of overweight individuals among the intervention group over the intervention period was observed. Physical activity and consumption of vegetables increased while consumption of high-caloric snacks and fast foods decreased in children after the intervention. This study indicated that a multidisciplinary approach in school-based interventions is most likely to be effective in preventing children from becoming overweight in the long term. More research should be conducted on school-based interventions with longer intervention periods and higher sustainability.

  5. Machine learning assisted first-principles calculation of multicomponent solid solutions: estimation of interface energy in Ni-based superalloys

    Science.gov (United States)

    Chandran, Mahesh; Lee, S. C.; Shim, Jae-Hyeok

    2018-02-01

    A disordered configuration of atoms in a multicomponent solid solution presents a computational challenge for first-principles calculations using density functional theory (DFT). The challenge is in identifying the few probable (low energy) configurations from a large configurational space before DFT calculation can be performed. The search for these probable configurations is possible if the configurational energy E({\\boldsymbol{σ }}) can be calculated accurately and rapidly (with a negligibly small computational cost). In this paper, we demonstrate such a possibility by constructing a machine learning (ML) model for E({\\boldsymbol{σ }}) trained with DFT-calculated energies. The feature vector for the ML model is formed by concatenating histograms of pair and triplet (only equilateral triangle) correlation functions, {g}(2)(r) and {g}(3)(r,r,r), respectively. These functions are a quantitative ‘fingerprint’ of the spatial arrangement of atoms, familiar in the field of amorphous materials and liquids. The ML model is used to generate an accurate distribution P(E({\\boldsymbol{σ }})) by rapidly spanning a large number of configurations. The P(E) contains full configurational information of the solid solution and can be selectively sampled to choose a few configurations for targeted DFT calculations. This new framework is employed to estimate (100) interface energy ({σ }{{IE}}) between γ and γ \\prime at 700 °C in Alloy 617, a Ni-based superalloy, with composition reduced to five components. The estimated {σ }{{IE}} ≈ 25.95 mJ m‑2 is in good agreement with the value inferred by the precipitation model fit to experimental data. The proposed new ML-based ab initio framework can be applied to calculate the parameters and properties of alloys with any number of components, thus widening the reach of first-principles calculation to realistic compositions of industrially relevant materials and alloys.

  6. Pharmacological effects of a C-phycocyanin-based multicomponent nutraceutical in an in-vitro canine chondrocyte model of osteoarthritis.

    Science.gov (United States)

    Martinez, Stephanie E; Chen, Yufei; Ho, Emmanuel A; Martinez, Steven A; Davies, Neal M

    2015-07-01

    Multicomponent nutraceuticals are becoming increasingly popular treatments or adjunctive therapies for osteoarthritis in veterinary medicine despite lack of evidence of efficacy for many products. The objective of this study was to evaluate the anti-inflammatory and antioxidant activities of a commercially available C-phycocyanin-based nutraceutical and select constituent ingredients in an in-vitro model of canine osteoarthritis. Normal canine articular chondrocytes were used in an in-vitro model of osteoarthritis. Inflammatory conditions were induced using interleukin-1β. The nutraceutical preparation as a whole, its individual constituents, as well as carprofen were evaluated at concentrations of 0 to 250 μg/mL for reduction of the following inflammatory mediators and indicators of catabolism of the extracellular matrix: prostaglandin E2 (PGE2), tumor necrosis factor-α (TFN-α), interleukin-6 (IL-6), metalloproteinase-3 (MMP-3), nitric oxide, and sulfated glycosaminoglycans (sGAGs). Validated, commercially available assay kits were used for quantitation of inflammatory mediators. The antioxidant capacities, as well as cyclooxygenase-1 (COX-1), cyclooxygenase-2 (COX-2), and lipoxygenase (LOX) inhibitory activities of the whole nutraceutical preparation and select constituents, were also assessed using validated commercially available assay kits. The antioxidant capacity of the nutraceutical and constituents was concentration-dependent. The nutraceutical and constituents appear to display anti-inflammatory activity primarily through the inhibition of COX-2. The nutraceutical displayed similar strength to carprofen in reducing TNF-α, IL-6, MMP-3, nitric oxide, and sGAGs at select concentration ranges. The C-phycocyanin (CPC)-based nutraceutical and constituents may be able to mediate 3 primary pathogenic mechanisms of osteoarthritis: inflammation, chondral degeneration, and oxidative stress in vitro. The nutraceutical may be clinically useful in veterinary

  7. Fabrication of Ni-silicide/Si heterostructured nanowire arrays by glancing angle deposition and solid state reaction

    Science.gov (United States)

    2013-01-01

    This work develops a method for growing Ni-silicide/Si heterostructured nanowire arrays by glancing angle Ni deposition and solid state reaction on ordered Si nanowire arrays. Samples of ordered Si nanowire arrays were fabricated by nanosphere lithography and metal-induced catalytic etching. Glancing angle Ni deposition deposited Ni only on the top of Si nanowires. When the annealing temperature was 500°C, a Ni3Si2 phase was formed at the apex of the nanowires. The phase of silicide at the Ni-silicide/Si interface depended on the diameter of the Si nanowires, such that epitaxial NiSi2 with a {111} facet was formed at the Ni-silicide/Si interface in Si nanowires with large diameter, and NiSi was formed in Si nanowires with small diameter. A mechanism that is based on flux divergence and a nucleation-limited reaction is proposed to explain this phenomenon of size-dependent phase formation. PMID:23663726

  8. Evaluation of a School-Based Multicomponent Nutrition Education Program to Improve Young Children's Fruit and Vegetable Consumption

    Science.gov (United States)

    Prelip, Michael; Kinsler, Janni; Thai, Chan Le; Erausquin, Jennifer Toller; Slusser, Wendelin

    2012-01-01

    Objective: To assess the impact of a multicomponent nutrition education program on student knowledge, attitudes, and behaviors related to consumption of fruits and vegetables (FVs). Design: Quasi-experimental pretest/posttest research design; 3 study conditions (Intervention+, Intervention, Comparison). Setting: Six schools from the Los Angeles…

  9. Rare earth silicide nanowires on silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wanke, Martina

    2008-11-10

    The growth, structure and electronic properties of rare earth silicide nanowires are investigated on planar and vicinal Si(001) und Si(111) surfaces with scanning tunneling microscopy (STM), low energy electron diffraction (LEED) and angle-resolved photoelectron spectroscopy (ARPES). On all surfaces investigated within this work hexagonal disilicides are grown epitaxially with a lattice mismatch of -2.55% up to +0.83% along the hexagonal a-axis. Along the hexagonal c-axis the lattice mismatch is essentially larger with 6.5%. On the Si(001)2 x 1 surface two types of nanowires are grown epitaxially. The socalled broad wires show a one-dimensional metallic valence band structure with states crossing the Fermi level. Along the nanowires two strongly dispersing states at the anti J point and a strongly dispersing state at the anti {gamma} point can be observed. Along the thin nanowires dispersing states could not be observed. Merely in the direction perpendicular to the wires an intensity variation could be observed, which corresponds to the observed spacial structure of the thin nanowires. The electronic properties of the broad erbium silicide nanowires are very similar to the broad dysprosium silicide nanowires. The electronic properties of the DySi{sub 2}-monolayer and the Dy{sub 3}Si{sub 5}-multilayer on the Si(111) surface are investigated in comparison to the known ErSi{sub 2}/Si(111) and Er{sub 3}Si{sub 5}/Si(111) system. The positions and the energetic locations of the observed band in the surface Brillouin zone will be confirmed for dysprosium. The shape of the electron pockets in the (vector)k {sub parallel} space is elliptical at the anti M points, while the hole pocket at the anti {gamma} point is showing a hexagonal symmetry. On the Si(557) surface the structural and electronic properties depend strongly on the different preparation conditions likewise, in particular on the rare earth coverage. At submonolayer coverage the thin nanowires grow in wide areas

  10. Evaluation of Transmission Line Model Structures for Silicide-to-Silicon Specific Contact Resistance Extraction

    NARCIS (Netherlands)

    Stavitski, N.; van Dal, Mark J.H.; Lauwers, Anne; Vrancken, Christa; Kovalgin, Alexeij Y.; Wolters, Robertus A.M.

    2008-01-01

    In order to measure silicide-to-silicon specific contact resistance �?c, transmission line model (TLM) structures were proposed as attractive candidates for embedding in CMOS processes. We optimized TLM structures for nickel silicide and platinum silicide and evaluated them for various doping levels

  11. Thermal transport across metal silicide-silicon interfaces: An experimental comparison between epitaxial and nonepitaxial interfaces

    Science.gov (United States)

    Ye, Ning; Feser, Joseph P.; Sadasivam, Sridhar; Fisher, Timothy S.; Wang, Tianshi; Ni, Chaoying; Janotti, Anderson

    2017-02-01

    Silicides are used extensively in nano- and microdevices due to their low electrical resistivity, low contact resistance to silicon, and their process compatibility. In this work, the thermal interface conductance of TiSi2, CoSi2, NiSi, and PtSi are studied using time-domain thermoreflectance. Exploiting the fact that most silicides formed on Si(111) substrates grow epitaxially, while most silicides on Si(100) do not, we study the effect of epitaxy, and show that for a wide variety of interfaces there is no dependence of interface conductance on the detailed structure of the interface. In particular, there is no difference in the thermal interface conductance between epitaxial and nonepitaxial silicide/silicon interfaces, nor between epitaxial interfaces with different interface orientations. While these silicide-based interfaces yield the highest reported interface conductances of any known interface with silicon, none of the interfaces studied are found to operate close to the phonon radiation limit, indicating that phonon transmission coefficients are nonunity in all cases and yet remain insensitive to interfacial structure. In the case of CoSi2, a comparison is made with detailed computational models using (1) full-dispersion diffuse mismatch modeling (DMM) including the effect of near-interfacial strain, and (2) an atomistic Green' function (AGF) approach that integrates near-interface changes in the interatomic force constants obtained through density functional perturbation theory. Above 100 K, the AGF approach significantly underpredicts interface conductance suggesting that energy transport does not occur purely by coherent transmission of phonons, even for epitaxial interfaces. The full-dispersion DMM closely predicts the experimentally observed interface conductances for CoSi2, NiSi, and TiSi2 interfaces, while it remains an open question whether inelastic scattering, cross-interfacial electron-phonon coupling, or other mechanisms could also account for

  12. Effectiveness of a worksite mindfulness-based multi-component intervention on lifestyle behaviors

    NARCIS (Netherlands)

    van Berkel, J.; Boot, C.R.L.; Proper, K.I.; Bongers, P.M.; van der Beek, A.J.

    2014-01-01

    Introduction: Overweight and obesity are associated with an increased risk of morbidity. Mindfulness training could be an effective strategy to optimize lifestyle behaviors related to body weight gain. The aim of this study was to evaluate the effectiveness of a worksite mindfulness-based

  13. A model for determining condition-based maintenance policies for deteriorating multi-component systems

    NARCIS (Netherlands)

    Hontelez, J.A.M.; Wijnmalen, D.J.D.

    1993-01-01

    We discuss a method to determine strategies for preventive maintenance of systems consisting of gradually deteriorating components. A model has been developed to compute not only the range of conditions inducing a repair action, but also inspection moments based on the last known condition value so

  14. Development of technology for obtaining multi-component hard and superhard alloys based on Ti, Si, W and others using ionizing radiation

    Directory of Open Access Journals (Sweden)

    A. Kupchishin

    2012-12-01

    Full Text Available Complex researches on creation of scientific bases of receiving new and perspective firm and superfirm materials with use of bunches of particles are carried out. Bases of radiating technology of receiving multicomponent firm and superfirm alloys on the basis of Ti, by Si, W, etc., high-energy bunches of ions, electrons, thermoinfluence and the microwave oven are developed. Works on search and a choice of modes radiating and the microwave oven of processing of powders, components of polymers and agglomeration modes (temperature, pressure are carried out. The technique of manufacturing of samples is developed.

  15. Anomalous frequency dependent diamagnetism in metal silicide

    Science.gov (United States)

    Dahal, Ashutosh; Gunasekera, Jagat; Harriger, Leland; Singh, David J.; Singh, Deepak K.; Leland Harriger Collaboration

    Discovery of superconductivity in PbO-type FeSe has generated a lot of interest. Among the samples we synthesize with similar structure, NiSi has showed anomalous but very interesting results. Nickel silicides are important electronic materials that have been used as contacts for field effect transistors, as interconnects and in nanoelectronic devices. The magnetic properties of NiSi are not well known, however. In this presentation, we report a highly unusual magnetic phenomenon in NiSi. The ac susceptibility measurements on NiSi reveal strong frequency dependence of static and dynamic susceptibilities that are primarily diamagnetic at room temperature. The static susceptibility is found to exhibit a strong frequency dependence of the diamagnetic response below 100K, while dynamic susceptibility showed peak type feature at 10KHz frequency around 50K. Detailed neutron scattering measurements on high quality powder sample of NiSi on SPINS cold spectrometer further revealed an inelastic peak around 1.5meV, even though no magnetic order is detected. The inelastic peak dissipates above 100K, which is where the static susceptibility starts to diverge with frequency. Research is supported by U.S. Department of Energy, Office of Basic Energy Sciences under Grant No. DE-SC0014461.

  16. Submicron Features in Higher Manganese Silicide

    Directory of Open Access Journals (Sweden)

    Yatir Sadia

    2013-01-01

    Full Text Available The world energy crisis had increased the demand for alternative energy sources and as such is one of the topics at the forefront of research. One way for reducing energy consumption is by thermoelectricity. Thermoelectric effects enable direct conversion of thermal into electrical energy. Higher manganese silicide (HMS, MnSi1.75 is one of the promising materials for applications in the field of thermoelectricity. The abundance and low cost of the elements, combined with good thermoelectric properties and high mechanical and chemical stability at high temperatures, make it very attractive for thermoelectric applications. Recent studies have shown that Si-rich HMS has improved thermoelectric properties. The most interesting of which is the unusual reduction in thermal conductivity. In the current research, transmission (TEM and scanning (SEM electron microscopy as well as X-ray diffraction methods were applied for investigation of the govern mechanisms resulting in very low thermal conductivity values of an Si-rich HMS composition, following arc melting and hot-pressing procedures. In this paper, it is shown that there is a presence of sub-micron dislocations walls, stacking faults, and silicon and HMS precipitates inside each other apparent in the matrix, following a high temperature (0.9 Tm hot pressing for an hour. These are not just responsible for the low thermal conductivity values observed but also indicate the ability to create complicate nano-structures that will last during the production process and possibly during the application.

  17. Predicting the Composition of Red Wine Blends Using an Array of Multicomponent Peptide-Based Sensors

    Directory of Open Access Journals (Sweden)

    Eman Ghanem

    2015-05-01

    Full Text Available Differential sensing using synthetic receptors as mimics of the mammalian senses of taste and smell is a powerful approach for the analysis of complex mixtures. Herein, we report on the effectiveness of a cross-reactive, supramolecular, peptide-based sensing array in differentiating and predicting the composition of red wine blends. Fifteen blends of Cabernet Sauvignon, Merlot and Cabernet Franc, in addition to the mono varietals, were used in this investigation. Linear Discriminant Analysis (LDA showed a clear differentiation of blends based on tannin concentration and composition where certain mono varietals like Cabernet Sauvignon seemed to contribute less to the overall characteristics of the blend. Partial Least Squares (PLS Regression and cross validation were used to build a predictive model for the responses of the receptors to eleven binary blends and the three mono varietals. The optimized model was later used to predict the percentage of each mono varietal in an independent test set composted of four tri-blends with a 15% average error. A partial least square regression model using the mouth-feel and taste descriptive sensory attributes of the wine blends revealed a strong correlation of the receptors to perceived astringency, which is indicative of selective binding to polyphenols in wine.

  18. Si-Ge Nano-Structured with Tungsten Silicide Inclusions

    Science.gov (United States)

    Mackey, Jon; Sehirlioglu, Alp; Dynys, Fred

    2014-01-01

    Traditional silicon germanium high temperature thermoelectrics have potential for improvements in figure of merit via nano-structuring with a silicide phase. A second phase of nano-sized silicides can theoretically reduce the lattice component of thermal conductivity without significantly reducing the electrical conductivity. However, experimentally achieving such improvements in line with the theory is complicated by factors such as control of silicide size during sintering, dopant segregation, matrix homogeneity, and sintering kinetics. Samples are prepared using powder metallurgy techniques; including mechanochemical alloying via ball milling and spark plasma sintering for densification. In addition to microstructural development, thermal stability of thermoelectric transport properties are reported, as well as couple and device level characterization.

  19. Formation of cobalt silicide by ion beam mixing

    Science.gov (United States)

    Min, Ye; Burte, Edmund P.; Ryssel, Heiner

    1991-07-01

    The formation of cobalt silicides by arsenic ion implantation through a cobalt film which causes a mixing of the metal with the silicon substrate was investigated. Furthermore, cobalt suicides were formed by rapid thermal annealing (RTA). Sheet resistance and silicide phases of implanted Co/Si samples depend on the As dose. Ion beam mixing at doses higher than 5 × 10 15 cm -2 and RTA at temperatures T ⩾ 900° C result in almost equal values of Rs. RBS and XRD spectra of these samples illustrate the formation of a homogeneous CoSi 2 layer. Significant lateral growth of cobalt silicide beyond the edge of patterned SiO 2 was observed in samples which were only subjected to an RTA process ( T ⩾ 900 ° C), while this lateral suicide growth could be reduced efficiently by As implantation prior to RTA.

  20. COMET: a multicomponent home-based disease-management programmeversusroutine care in severe COPD.

    Science.gov (United States)

    Kessler, Romain; Casan-Clara, Pere; Koehler, Dieter; Tognella, Silvia; Viejo, Jose Luis; Dal Negro, Roberto W; Díaz-Lobato, Salvador; Reissig, Karina; Rodríguez González-Moro, José Miguel; Devouassoux, Gilles; Chavaillon, Jean-Michel; Botrus, Pierre; Arnal, Jean-Michel; Ancochea, Julio; Bergeron-Lafaurie, Anne; De Abajo, Carlos; Randerath, Winfried J; Bastian, Andreas; Cornelissen, Christian G; Nilius, Georg; Texereau, Joëlle B; Bourbeau, Jean

    2018-01-01

    The COPD Patient Management European Trial (COMET) investigated the efficacy and safety of a home-based COPD disease management intervention for severe COPD patients.The study was an international open-design clinical trial in COPD patients (forced expiratory volume in 1 s management intervention or to the usual management practices at the study centre. The disease management intervention included a self-management programme, home telemonitoring, care coordination and medical management. The primary end-point was the number of unplanned all-cause hospitalisation days in the intention-to-treat (ITT) population. Secondary end-points included acute care hospitalisation days, BODE (body mass index, airflow obstruction, dyspnoea and exercise) index and exacerbations. Safety end-points included adverse events and deaths.For the 157 (disease management) and 162 (usual management) patients eligible for ITT analyses, all-cause hospitalisation days per year (mean±sd) were 17.4±35.4 and 22.6±41.8, respectively (mean difference -5.3, 95% CI -13.7 to -3.1; p=0.16). The disease management group had fewer per-protocol acute care hospitalisation days per year (p=0.047), a lower BODE index (p=0.01) and a lower mortality rate (1.9% versus 14.2%; pmanagement intervention did not significantly reduce unplanned all-cause hospitalisation days, but reduced acute care hospitalisation days and mortality in severe COPD patients. Copyright ©ERS 2018.

  1. Metal-Free, Multicomponent Synthesis of Pyrrole-Based π-Conjugated Polymers from Imines, Acid Chlorides, and Alkynes.

    Science.gov (United States)

    Kayser, Laure V; Vollmer, Moritz; Welnhofer, Merve; Krikcziokat, Hanna; Meerholz, Klaus; Arndtsen, Bruce A

    2016-08-24

    Multicomponent coupling reactions (MCRs) are becoming increasingly used in the synthesis of macromolecules, as they can allow the rapid generation of libraries of materials as a method to tune properties. MCRs could prove particularly useful in the synthesis of π-conjugated polymers in which structural changes are necessary for fine-tuning of electronic properties. We describe here the first metal-free multicomponent approach to conjugated polymers. This reaction exploits the coupling of imines, acid chlorides, and (catechyl)PPh to generate phospha-münchnone-containing polymers, which can be converted to poly(pyrroles) via cycloaddition. The platform allows for the efficient synthesis of families of high molecular weight polymers in one step from readily available monomers.

  2. Improving the well-being of children and youths: a randomized multicomponent, school-based, physical activity intervention.

    Science.gov (United States)

    Smedegaard, Søren; Christiansen, Lars Breum; Lund-Cramer, Pernille; Bredahl, Thomas; Skovgaard, Thomas

    2016-10-28

    The benefits of physical activity for the mental health and well-being of children and young people are well-established. Increased physical activity during school hours is associated with better physical, psychological and social health and well-being. Unfortunately many children and young people exercise insufficiently to benefit from positive factors like well-being. The main aim of this study is to develop, implement and evaluate a multi-component, school-based, physical activity intervention to improve psychosocial well-being among school-aged children and youths from the 4 th to the 6 th grade (10-13 years). A four-phased intervention - design, pilot, RCT, evaluation - is carried out for the development, implementation and evaluation of the intervention which are guided by The Medical Research Council framework for the development of complex interventions. 24 schools have been randomized and the total study population consists of 3124 children (baseline), who are followed over a period of 9 months. Outcome measure data at the pupil level are collected using an online questionnaire at baseline and at follow-up, 9 months later with instruments for measuring primary (general physical self-worth) and secondary outcomes (self-perceived sport competences, body attractiveness, scholastic competences, social competences and global self-worth; enjoyment of PA; self-efficacy; and general well-being) that are both valid and manageable in setting-based research. The RE-AIM framework is applied as an overall instrument to guide the evaluation. The intervention focuses on the mental benefits of physical activity at school, which has been a rather neglected theme in health promotion research during recent decades. This is unfortunate as mental health has been proclaimed as one of the most important health concerns of the 21 st century. Applying a cluster RCT study design, evaluating the real-world effectiveness of the intervention, this study is one of the largest

  3. Improving the well-being of children and youths: a randomized multicomponent, school-based, physical activity intervention

    Directory of Open Access Journals (Sweden)

    Søren Smedegaard

    2016-10-01

    Full Text Available Abstract Background The benefits of physical activity for the mental health and well-being of children and young people are well-established. Increased physical activity during school hours is associated with better physical, psychological and social health and well‐being. Unfortunately many children and young people exercise insufficiently to benefit from positive factors like well-being. The main aim of this study is to develop, implement and evaluate a multi-component, school-based, physical activity intervention to improve psychosocial well-being among school-aged children and youths from the 4th to the 6th grade (10–13 years. Methods A four-phased intervention – design, pilot, RCT, evaluation - is carried out for the development, implementation and evaluation of the intervention which are guided by The Medical Research Council framework for the development of complex interventions. 24 schools have been randomized and the total study population consists of 3124 children (baseline, who are followed over a period of 9 months. Outcome measure data at the pupil level are collected using an online questionnaire at baseline and at follow-up, 9 months later with instruments for measuring primary (general physical self-worth and secondary outcomes (self-perceived sport competences, body attractiveness, scholastic competences, social competences and global self-worth; enjoyment of PA; self-efficacy; and general well-being that are both valid and manageable in setting-based research. The RE-AIM framework is applied as an overall instrument to guide the evaluation. Discussion The intervention focuses on the mental benefits of physical activity at school, which has been a rather neglected theme in health promotion research during recent decades. This is unfortunate as mental health has been proclaimed as one of the most important health concerns of the 21st century. Applying a cluster RCT study design, evaluating the real-world effectiveness of

  4. Spatially resolved multicomponent gels

    Science.gov (United States)

    Draper, Emily R.; Eden, Edward G. B.; McDonald, Tom O.; Adams, Dave J.

    2015-10-01

    Multicomponent supramolecular systems could be used to prepare exciting new functional materials, but it is often challenging to control the assembly across multiple length scales. Here we report a simple approach to forming patterned, spatially resolved multicomponent supramolecular hydrogels. A multicomponent gel is first formed from two low-molecular-weight gelators and consists of two types of fibre, each formed by only one gelator. One type of fibre in this ‘self-sorted network’ is then removed selectively by a light-triggered gel-to-sol transition. We show that the remaining network has the same mechanical properties as it would have done if it initially formed alone. The selective irradiation of sections of the gel through a mask leads to the formation of patterned multicomponent networks, in which either one or two networks can be present at a particular position with a high degree of spatial control.

  5. Spatially resolved multicomponent gels.

    Science.gov (United States)

    Draper, Emily R; Eden, Edward G B; McDonald, Tom O; Adams, Dave J

    2015-10-01

    Multicomponent supramolecular systems could be used to prepare exciting new functional materials, but it is often challenging to control the assembly across multiple length scales. Here we report a simple approach to forming patterned, spatially resolved multicomponent supramolecular hydrogels. A multicomponent gel is first formed from two low-molecular-weight gelators and consists of two types of fibre, each formed by only one gelator. One type of fibre in this 'self-sorted network' is then removed selectively by a light-triggered gel-to-sol transition. We show that the remaining network has the same mechanical properties as it would have done if it initially formed alone. The selective irradiation of sections of the gel through a mask leads to the formation of patterned multicomponent networks, in which either one or two networks can be present at a particular position with a high degree of spatial control.

  6. Ultra Thin Poly-Si Nanosheet Junctionless Field-Effect Transistor with Nickel Silicide Contact.

    Science.gov (United States)

    Lin, Yu-Ru; Tsai, Wan-Ting; Wu, Yung-Chun; Lin, Yu-Hsien

    2017-11-07

    This study demonstrated an ultra thin poly-Si junctionless nanosheet field-effect transistor (JL NS-FET) with nickel silicide contact. For the nickel silicide film, two-step annealing and a Ti capping layer were adopted to form an ultra thin uniform nickel silicide film with low sheet resistance (Rs). The JL NS-FET with nickel silicide contact exhibited favorable electrical properties, including a high driving current (>10⁷A), subthreshold slope (186 mV/dec.), and low parasitic resistance. In addition, this study compared the electrical characteristics of JL NS-FETs with and without nickel silicide contact.

  7. Ultra Thin Poly-Si Nanosheet Junctionless Field-Effect Transistor with Nickel Silicide Contact

    Directory of Open Access Journals (Sweden)

    Yu-Ru Lin

    2017-11-01

    Full Text Available This study demonstrated an ultra thin poly-Si junctionless nanosheet field-effect transistor (JL NS-FET with nickel silicide contact. For the nickel silicide film, two-step annealing and a Ti capping layer were adopted to form an ultra thin uniform nickel silicide film with low sheet resistance (Rs. The JL NS-FET with nickel silicide contact exhibited favorable electrical properties, including a high driving current (>107A, subthreshold slope (186 mV/dec., and low parasitic resistance. In addition, this study compared the electrical characteristics of JL NS-FETs with and without nickel silicide contact.

  8. Photoinduced Multicomponent Reactions.

    Science.gov (United States)

    Garbarino, Silvia; Ravelli, Davide; Protti, Stefano; Basso, Andrea

    2016-12-12

    The combination of multicomponent approaches with light-driven processes opens up new scenarios in the area of synthetic organic chemistry, where the need for sustainable, atom- and energy-efficient reactions is increasingly urgent. Photoinduced multicomponent reactions are still in their infancy, but significant developments in this area are expected in the near future. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Fatima,; Hossain, Sehtab; Mohottige, Rasika; Oncel, Nuri, E-mail: gulseren@fen.bilkent.edu.tr, E-mail: nuri.oncel@und.edu [Department of Physics and Astrophysics, University of North Dakota, Grand Forks, North Dakota 58202 (United States); Can Oguz, Ismail; Gulseren, Oguz, E-mail: gulseren@fen.bilkent.edu.tr, E-mail: nuri.oncel@und.edu [Department of Physics, Bilkent University, Ankara (Turkey); Çakır, Deniz [Department of Physics, University of Antwerp, Antwerp 2610 (Belgium)

    2016-09-07

    Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77 K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires.

  10. Silicide Schottky Contacts to Silicon: Screened Pinning at Defect Levels

    Energy Technology Data Exchange (ETDEWEB)

    Drummond, T.J.

    1999-03-11

    Silicide Schottky contacts can be as large as 0.955 eV (E{sub v} + 0.165 eV) on n-type silicon and as large as 1.05 eV (E{sub c} {minus} 0.07 eV) on p-type silicon. Current models of Schottky barrier formation do not provide a satisfactory explanation of occurrence of this wide variation. A model for understanding Schottky contacts via screened pinning at defect levels is presented. In the present paper it is shown that most transition metal silicides are pinned approximately 0.48 eV above the valence band by interstitial Si clusters. Rare earth disilicides pin close to the divacancy acceptor level 0.41 eV below the conduction band edge while high work function silicides of Ir and Pt pin close to the divacancy donor level 0.21 eV above the valence band edge. Selection of a particular defect pinning level depends strongly on the relative positions of the silicide work function and the defect energy level on an absolute energy scale.

  11. Spin, Charge, and Bonding in Transition Metal Mono Silicides

    NARCIS (Netherlands)

    Marel, D. van der; Damascelli, A.; Schulte, K.; Menovsky, A. A.

    1997-01-01

    Published in: Physica B 244 (1998) 138-147 citations recorded in [Science Citation Index] Abstract: We review some of the relevant physical properties of the transition metal mono-silicides with the FeSi structure (CrSi, MnSi, FeSi, CoSi, NiSi, etc) and explore the relation between their structural

  12. Combustion synthesis of molybdenum silicides and borosilicides for ultrahigh-temperature structural applications

    Science.gov (United States)

    Alam, Mohammad Shafiul

    Molybdenum silicides and borosilicides are promising structural materials for gas-turbine power plants. A major challenge, however, is to simultaneously achieve high oxidation resistance and acceptable mechanical properties at high temperatures. For example, molybdenum disilicide (MoSi2) has excellent oxidation resistance and poor mechanical properties, while Mo-rich silicides such as Mo5Si3 (called T 1) have much better mechanical properties but poor oxidation resistance. One approach is based on the fabrication of MoSi2-T 1 composites that combine high oxidation resistance of MoSi2 and good mechanical properties of T1. Another approach involves the addition of boron to Mo-rich silicides for improving their oxidation resistance through the formation of a borosilicate surface layer. In particular, Mo 5SiB2 (called T2) phase is considered as an attractive material. In the thesis, MoSi2-T1 composites and materials based on T2 phase are obtained by mechanically activated SHS. Use of SHS compaction (quasi-isostatic pressing) significantly improves oxidation resistance of the obtained MoSi2-T1 composites. Combustion of Mo-Si-B mixtures for the formation of T2 phase becomes possible if the composition is designed for the addition of more exothermic reactions leading to the formation of molybdenum boride. These mixtures exhibit spin combustion, the characteristics of which are in good agreement with the spin combustion theory. Oxidation resistance of the obtained Mo-Si-B materials is independent on the concentration of Mo phase in the products so that the materials with a higher Mo content are preferable because of better mechanical properties. Also, T2 phase has been obtained by the chemical oven combustion synthesis technique.

  13. X-ray photoemission spectromicroscopy of titanium silicide formation in patterned microstructures

    Energy Technology Data Exchange (ETDEWEB)

    Singh, S.; Solak, H.; Cerrina, F. [Univ. of Wisconsin-Madison, Stoughton, WI (United States)] [and others

    1997-04-01

    Titanium silicide has the lowest resistivity of all the refractory metal silicides and has good thermal stability as well as excellent compatibility with Al metallization. It is used as an intermediate buffer layer between W vias and the Si substrate to provide good electrical contact in ULSI technology, whose submicron patterned features form the basis of the integrated circuits of today and tomorrow, in the self aligned silicide (salicide) formation process. TiSi{sub 2} exists in two phases: a metastable C49 base-centered orthorhombic phase with specific resistivity of 60-90 {mu}{Omega}-cm that is formed at a lower temperature (formation anneal) and the stable 12-15 {mu}{Omega}-cm resistivity face-centered orthorhombic C54 phase into which C49 is transformed with a higher temperature (conversion anneal) step. C54 is clearly the target for low resistivity VLSI interconnects. However, it has been observed that when dimensions shrink below 1/mic (or when the Ti thickness drops below several hundred angstroms), the transformation of C49 into C54 is inhibited and agglomeration often occurs in fine lines at high temperatures. This results in a rise in resistivity due to incomplete transformation to C54 and because of discontinuities in the interconnect line resulting from agglomeration. Spectromicroscopy is an appropriate tool to study the evolution of the TiSi2 formation process because of its high resolution chemical imaging ability which can detect bonding changes even in the absence of changes in the relative amounts of species and because of the capability of studying thick {open_quotes}as is{close_quotes} industrial samples.

  14. ROW METHOD OF SUGAR BEET (BETA VULGARIS L. FERTILIZATION WITH MULTICOMPONENT FERTILIZER BASED ON UREA-AMMONIUM NITRATE SOLUTION AS A WAY TO INCREASE NITROGEN EFFICIENCY

    Directory of Open Access Journals (Sweden)

    Przemysław BARŁÓG

    2010-12-01

    Full Text Available Sugar beet is the main crop commonly cultivated for sugar production in temperate regions of the World. Actual yields in main Central Europe producing countries are much lower, due to many limiting factors. Among them, nutrients supply is of great value, especially referring to efficiency of nitrogen, which is generally low. In the conducted study two methods of nitrogen application were compared (i broadcast of calcium saltpeter and (ii row application of the multicomponent fertilizer based on urea-ammonium-nitrate (UAN solution. The basic amount of the applied N was 75 kg ha-1. The highest yields of both taproots and refined sugar were harvested on the plot receiving 75 kg N-1 as UAN liquid multicomponent fertilizer and 50% of the recommended P and K rates. The positive effects of row application of liquid N fertilizer on taproot and sugar yields were also corroborated by high values of indices of agronomic efficiency for both N as well as P and K. However this method of sugar beets fertilization has some possibilities, as indicated by still high contents of melassogenic substances.

  15. Effectiveness of telephone-based follow-up support delivered in combination with a multi-component smoking cessation intervention in family practice: a cluster-randomized trial.

    Science.gov (United States)

    Papadakis, Sophia; McDonald, Paul W; Pipe, Andrew L; Letherdale, Scott T; Reid, Robert D; Brown, K Stephen

    2013-06-01

    To determine whether telephone-based smoking cessation follow-up counseling (FC), when delivered as part of a multi-component intervention program is associated with increased rates of follow-up support and smoking abstinence. A cluster randomized controlled-trial was conducted within family medicine practices in Ontario, Canada. Consecutive adult patients who smoked were enrolled at two time points, the baseline period (2009) and the post-intervention period (2009-2011). Smoking abstinence was determined by telephone interview 4 months following enrollment. Both groups implemented a multi-component intervention program. Practices randomized to the FC group could also refer patients to a follow-up support program which involved 5 telephone contacts over a 2-month period. Eight practices, 130 providers, and 928 eligible patients participated in the study. No statistically significant difference in 7-day point-prevalence abstinence was observed between intervention groups. There was a significant increase in referral to follow-up in both intervention groups. Significantly higher rates of smoking abstinence [25.7% vs. 11.3%; adjusted OR 3.1 (95% CI: 1.1, 8.6), p<0.05] were documented among the twenty-nine percent of FC participants who were referred to the follow-up support program compared to the MC group. Access to external follow-up support did not increase rates at which follow-up support was delivered. Copyright © 2013 Elsevier Inc. All rights reserved.

  16. High Temperature Silicides and Refractory Alloys Symposium Held in Boston, Massachusetts on November 29 -December 2, 1993. Volume 322

    Science.gov (United States)

    1993-12-02

    MECHANICAL BEHAVIOR OF Nb-Ti BASE BETA + SILICIDE ALLOYS . ................................... 491 P.R. Subramanian, M.G. Mendiratta, and D.M. Dimiduk...above -1300°C, the amorphous silica can transform to a- cristobalite . The oxygen diffusivity will change as the structure of the silica changes, and...first 10 to 40 hours. After 100 hours of oxidation, the XRD analysis shows that the oxide layer is cristobalite , the stable crystalline phase of silica

  17. Nanoscale contact engineering for Silicon/Silicide nanowire devices

    Science.gov (United States)

    Lin, Yung-Chen

    Metal silicides have been used in silicon technology as contacts to achieve high device performance and desired device functions. The growth and applications of silicide materials have recently attracted increasing interest for nanoscale device applications. Nanoscale silicide materials have been demonstrated with various synthetic approaches. Solid state reaction wherein high quality silicides form through diffusion of metal atoms into silicon nano-templates and the subsequent phase transformation caught significant attention for the fabrication of nanoscale Si devices. Very interestingly, studies on the diffusion and phase transformation processes at nanoscale have indicated possible deviations from the bulk and the thin film system. Here we studied growth kinetics, electronic properties and device applications of nanoscale silicides formed through solid state reaction. We have grown single crystal PtSi nanowires and PtSi/Si/PtSi nanowire heterostructures through solid state reaction. TEM studies show that the heterostructures have atomically sharp interfaces free of defects. Electrical measurement of PtSi nanowires shows a low resistivity of ˜28.6 μΩ·cm and a high breakdown current density beyond 108 A/cm2. Furthermore, using single-crystal PtSi/Si/PtSi nanowire heterostructures with atomically clean interfaces, we have fabricated p-channel enhancement mode transistors with the best reported performance for intrinsic silicon nanowires to date. In our results, silicide can provide a clean and no Fermi level pinning interface and then silicide can form Ohmic-contact behavior by replacing the source/drain metal with PtSi. It has been proven by our experiment by contacting PtSi with intrinsic Si nanowires (no extrinsic doping) to achieve high performance p-channel device. By utilizing the same approach, single crystal MnSi nanowires and MnSi/Si/MnSi nanowire heterojunction with atomically sharp interfaces can also been grown. Electrical transport studies on Mn

  18. Impact of Nickel silicide Rear Metallization on Series Resistance of Crystalline Silicon Solar Cells

    KAUST Repository

    Bahabry, Rabab R

    2018-01-11

    The Silicon-based solar cell is one of the most important enablers toward high efficiency and low-cost clean energy resource. Metallization of silicon-based solar cells typically utilizes screen printed silver-Aluminium (Ag-Al) which affects the optimal electrical performance. To date, metal silicide-based ohmic contacts are occasionally used as an alternative candidate only to the front contact grid lines in crystalline silicon (c-Si) based solar cells. In this paper, we investigate the electrical characteristics of nickel mono-silicide (NiSi)/Cu-Al ohmic contact on the rear side of c-Si solar cells. We observe a significant enhancement in the fill factor of around 6.5% for NiSi/Cu-Al rear contacts leading to increasing the efficiency by 1.2% compared to Ag-Al. This is attributed to the improvement of the parasitic resistance in which the series resistance decreased by 0.737 Ω.cm². Further, we complement experimental observation with a simulation of different contact resistance values, which manifests NiSi/Cu-Al rear contact as a promising low-cost metallization for c-Si solar cells with enhanced efficiency.

  19. Aluminium alloyed iron-silicide/silicon solar cells: A simple approach for low cost environmental-friendly photovoltaic technology

    Science.gov (United States)

    Kumar Dalapati, Goutam; Masudy-Panah, Saeid; Kumar, Avishek; Cheh Tan, Cheng; Ru Tan, Hui; Chi, Dongzhi

    2015-01-01

    This work demonstrates the fabrication of silicide/silicon based solar cell towards the development of low cost and environmental friendly photovoltaic technology. A heterostructure solar cells using metallic alpha phase (α-phase) aluminum alloyed iron silicide (FeSi(Al)) on n-type silicon is fabricated with an efficiency of 0.8%. The fabricated device has an open circuit voltage and fill-factor of 240 mV and 60%, respectively. Performance of the device was improved by about 7 fold to 5.1% through the interface engineering. The α-phase FeSi(Al)/silicon solar cell devices have promising photovoltaic characteristic with an open circuit voltage, short-circuit current and a fill factor (FF) of 425 mV, 18.5 mA/cm2, and 64%, respectively. The significant improvement of α-phase FeSi(Al)/n-Si solar cells is due to the formation p+−n homojunction through the formation of re-grown crystalline silicon layer (~5–10 nm) at the silicide/silicon interface. Thickness of the regrown silicon layer is crucial for the silicide/silicon based photovoltaic devices. Performance of the α-FeSi(Al)/n-Si solar cells significantly depends on the thickness of α-FeSi(Al) layer and process temperature during the device fabrication. This study will open up new opportunities for the Si based photovoltaic technology using a simple, sustainable, and los cost method. PMID:26632759

  20. Growth, structure and lattice dynamics of rare earth silicide nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Seiler, Anja

    2015-07-13

    In the present thesis the epitaxial growth, crystal structure, stoichiometry, thermal stability and lattice dynamics of self-organized EuSi{sub 2} and DySi{sub 2} films, nanoislands and nanowires are investigated. The rare earth silicide (RESi) nanostructures have attracted considerable interest due to their high conductivity, very low Schottky barrier heights, remarkable chemical stability, self-organization in high area density and defects-free nano-objects with tunable size and shape, and the direct integration into the Si technology. The extensive research is driven by the continuous downscaling of the CMOS electronics that require new approaches in the devices architecture and circuits interconnects. Although RESi nanostructures attracted a lot of interest already several years ago and a lot of research has been done in this field, the lattice dynamics of these materials are still unknown. Recent developments at third generation synchrotron radiation sources have brought their performance to a stage where phonon spectroscopy of nanostructures and thin layers became feasible using nuclear inelastic X-ray scattering. This novel experimental technique is based on the process of phonon-assisted nuclear resonant absorption/emission of X-rays from the nuclei of Moessbauer-active isotopes. The method provides direct access to the phonon density of states (DOS) of the investigated element. Together with the ab initio calculations it was possible to get a comprehensive understanding of the lattice dynamics. EuSi{sub 2} films and nanoislands and DySi{sub 2} films, nanoislands and nanowires have been grown on the vicinal Si(001) surface by molecular beam epitaxy. While DySi{sub 2} was grown following known growth procedures, the growth conditions for EuSi{sub 2} had to be established first. EuSi{sub 2} was grown at two different growth conditions to study the influence of crystal structure and morphology upon different growth temperatures. The structure has been

  1. Green approach for synthesis of bioactive Hantzsch 1,4-dihydropyridine derivatives based on thiophene moiety via multicomponent reaction

    Science.gov (United States)

    Sharma, M. G.; Rajani, D. P.; Patel, H. M.

    2017-06-01

    A novel green and efficient one-pot multicomponent reaction of dihydropyridine derivatives was reported as having good to excellent yield. In the presence of the catalyst ceric ammonium nitrate (CAN), different 1,3-diones and same starting materials as 5-bromothiophene-2-carboxaldehyde and ammonium acetate were used at room temperature under solvent-free condition for the Hantzsch pyridine synthesis within a short period of time. All compounds were evaluated for their in vitro antibacterial and antifungal activity and, interestingly, we found that 5(b-f) show excellent activity compared with Ampicillin, whereas only the 5e compound shows excellent antifungal activity against Candida albicans compared with griseofulvin. The cytotoxicity of all compounds has been assessed against breast tumour cell lines (BT-549), but no activity was found. The X-ray structure of one such compound, 5a, viewed as a colourless block crystal, corresponded accurately to a primitive monoclinic cell.

  2. Semiclassical multicomponent wave function

    NARCIS (Netherlands)

    Mostovoy, M.V.

    1994-01-01

    A consistent method for obtaining the semiclassical multicomponent wave function for any value of adiabatic parameter is discussed and illustrated by examining the motion of a neutral particle in a nonuniform magnetic field. The method generalizes the Bohr-Sommerfeld quantization rule to

  3. Divergent Synthesis of Novel Five-Membered Heterocyclic Compounds by Base-Mediated Rearrangement of Acrylamides Derived from a Novel Isocyanide-Based Multicomponent Reaction

    Directory of Open Access Journals (Sweden)

    Renata Riva

    2011-10-01

    Full Text Available We have recently reported a novel multicomponent reaction between arylacetic acids and isocyanides, affording α-acyloxyacrylamides through an unusual mechanism. The products of this novel multicomponent reaction can rearrange to five membered heterocyclic compounds when exposed to an alkaline environment. Depending on the reaction conditions and on the substitution pattern on the substrates, various pyrrolidine derivatives can be selectively obtained. We now wish to report that libraries endowed with skeletal diversity, thus responding to the requirements of Diversity Oriented Synthesis (DOS, can be efficiently prepared in this manner, and phenotypic biological assays have shown interesting properties of some representative compounds.

  4. Multicomponent Implant Releasing Dexamethasone

    Science.gov (United States)

    Nikkola, L.; Vapalahti, K.; Ashammakhi, N.

    2008-02-01

    Several inflammatory conditions are usually treated with corticosteroids. There are various problems like side effects with traditional applications of steroids, e.g. topical, or systemic routes. Local drug delivery systems have been studied and developed to gain more efficient administration with fewer side effects. Earlier, we reported on developing Dexamethasone (DX) releasing biodegradable fibers. However, their drug release properties were not satisfactory in terms of onset of drug release. Thus, we assessed the development of multicomponent (MC) implant to enhance earlier drug release from such biodegradable fibers. Poly (lactide-co-glycolide) (PLGA) and 2 wt-% and 8 wt-% DX were compounded and extruded with twin-screw extruder to form of fibers. Some of the fibers were sterilized to obtain a change in drug release properties. Four different fiber classes were studied: 2 wt-%, 8 wt-%, sterilized 2 wt-%, and sterilized 8 wt-%. 3×4 different DX-releasing fibers were then heat-pressed to form one multicomponent rod. Half of the rods where sterilized. Drug release was measured from initial fibers and multicomponent rods using a UV/VIS spectrometer. Shear strength and changes in viscosity were also measured. Drug release studies showed that drug release commenced earlier from multicomponent rods than from component fibers. Drug release from multicomponent rods lasted from day 30 to day 70. The release period of sterilized rods extended from day 23 to day 57. When compared to the original component fibers, the drug release from MC rods commenced earlier. The initial shear strength of MC rods was 135 MPa and decreased to 105 MPa during four weeks of immersion in phosphate buffer solution. Accordingly, heat pressing has a positive effect on drug release. After four weeks in hydrolysis, no disintegration was observed.

  5. Electrical and optical properties of sub-10 nm nickel silicide films for silicon solar cells

    Science.gov (United States)

    Brahmi, Hatem; Ravipati, Srikanth; Yarali, Milad; Shervin, Shahab; Wang, Weijie; Ryou, Jae-Hyun; Mavrokefalos, Anastassios

    2017-01-01

    Highly conductive and transparent films of ultra-thin p-type nickel silicide films have been prepared by RF magnetron sputtering of nickel on silicon substrates followed by rapid thermal annealing in an inert environment in the temperature range 400-600 °C. The films are uniform throughout the wafer with thicknesses in the range of 3-6 nm. The electrical and optical properties are presented for nickel silicide films with varying thickness. The Drude-Lorentz model and Fresnel equations were used to calculate the dielectric properties, sheet resistance, absorption and transmission of the films. These ultrathin nickel silicide films have excellent optoelectronic properties for p-type contacts with optical transparencies up to 80% and sheet resistance as low as ~0.15 µΩ cm. Furthermore, it was shown that the use of a simple anti-reflection (AR) coating can recover most of the reflected light approaching the values of a standard Si solar cell with the same AR coating. Overall, the combination of ultra-low thickness, high transmittance, low sheet resistance and ability to recover the reflected light by utilizing standard AR coating makes them ideal for utilization in silicon based photovoltaic technologies as a p-type transparent conductor.

  6. Gas cluster ion beam assisted NiPt germano-silicide formation on SiGe

    Energy Technology Data Exchange (ETDEWEB)

    Ozcan, Ahmet S., E-mail: asozcan@us.ibm.com [IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120 (United States); Lavoie, Christian; Jordan-Sweet, Jean [IBM T. J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, New York 10598 (United States); Alptekin, Emre; Zhu, Frank [IBM Semiconductor Research and Development Center, 2070 Route 52, Hopewell Junction, New York 12533 (United States); Leith, Allen; Pfeifer, Brian D.; LaRose, J. D.; Russell, N. M. [TEL Epion Inc., 900 Middlesex Turnpike, Bldg. 6, Billerica, Massachusetts 01821 (United States)

    2016-04-21

    We report the formation of very uniform and smooth Ni(Pt)Si on epitaxially grown SiGe using Si gas cluster ion beam treatment after metal-rich silicide formation. The gas cluster ion implantation process was optimized to infuse Si into the metal-rich silicide layer and lowered the NiSi nucleation temperature significantly according to in situ X-ray diffraction measurements. This novel method which leads to more uniform films can also be used to control silicide depth in ultra-shallow junctions, especially for high Ge containing devices, where silicidation is problematic as it leads to much rougher interfaces.

  7. A Generalized Adsorption Rate Model Based on the Limiting-Component Constraint in Ion-Exchange Chromatographic Separation for Multicomponent Systems

    DEFF Research Database (Denmark)

    In species exchange processes (e.g., ion-exchange chromatography column), conventional adsorption rate models describe mass transfer (or exchange) between phases, assuming the existence of a counterpart species. In contrast, the adsorption models may not be useful in an inert environment (or...... inactive zone) where adsorption/desorption cannot take place because of lack of counterpart species. In packed-bed chromatography described as a distributed dynamic system, a wide range of concentrations including zero-concentrations can be distributed over the column length and the concentration profiles...... such that conventional LDF (linear driving force) type models are extended to inactive zones without loosing their generality. Based on a limiting component constraint, an exchange probability kernel is developed for multi-component systems. The LDF-type model with the kernel is continuous with time and axial direction...

  8. Electronic properties of semiconducting silicides: fundamentals and recent predictions

    Energy Technology Data Exchange (ETDEWEB)

    Ivanenko, L.I.; Shaposhnikov, V.L.; Filonov, A.B.; Krivosheeva, A.V.; Borisenko, V.E.; Migas, D.B.; Miglio, L.; Behr, G.; Schumann, J

    2004-08-02

    This review emphasizes progress in theoretical simulation and experiments that have been performed in the past years for semiconducting silicides. New fundamental electronic and optical properties of Ca{sub 2}Si and BaSi{sub 2}, recently found RuSi{sub 2} phase, ternaries in Fe-Os-Si and Ru-Os-Si systems, {beta}-FeSi{sub 2}, Mg{sub 2}Si and CrSi{sub 2} with stretched and compressed lattices as well as transport properties of {beta}-FeSi{sub 2}, ReSi{sub 1.75}, Ru{sub 2}Si{sub 3} are presented. Prospects for practical applications of semiconducting silicides are discussed.

  9. Reactive growth of niobium silicides in bulk diffusion couples

    Energy Technology Data Exchange (ETDEWEB)

    Milanese, Chiara; Buscaglia, Vincenzo; Maglia, Filippo; Anselmi-Tamburini, Umberto

    2003-09-15

    The diffusion-controlled growth of niobium silicides (NbSi{sub 2} and Nb{sub 5}Si{sub 3}) was studied in Nb/Si and Nb/NbSi{sub 2} bulk diffusion couples annealed at 1200-1350 degree sign C for 2-24 h. Both compounds were found to grow as parallel layers, according to the parabolic rate law. The concept of the integrated diffusion coefficient is used to describe the growth kinetics of the two silicides. The corresponding activation energy is 263 kJ/mol for Nb{sub 5}Si{sub 3} and 304 kJ/mol for NbSi{sub 2}. The activation energy (in eV) scales as 0.98T{sub m}(K)/1000 for Nb{sub 5}Si{sub 3} and as 1.4T{sub m}(K)/1000 for NbSi{sub 2} in agreement with the general behavior observed for many transition metal silicides. The position of the Kirkendall plane inside the Nb{sub 5}Si{sub 3} layer developed in Nb/NbSi{sub 2} couples indicates that, in the present temperature range, the diffusion of Si in Nb{sub 5}Si{sub 3} is considerably faster than that of Nb.

  10. Magnetohydrodynamics for a multicomponent ionic mixture

    NARCIS (Netherlands)

    Salvati, G.A.Q.; Suttorp, L.G.

    2001-01-01

    The magnetohydrodynamical equations for a multi-component magnetized ionic mixture are used to derive the spectrum of collective modes for small wavenumbers. The results are compared with those from formal kinetic theory, which is based on the microscopic balance equations and a projection-operator

  11. Multicomponent MR Image Denoising

    Science.gov (United States)

    Manjón, José V.; Thacker, Neil A.; Lull, Juan J.; Garcia-Martí, Gracian; Martí-Bonmatí, Luís; Robles, Montserrat

    2009-01-01

    Magnetic Resonance images are normally corrupted by random noise from the measurement process complicating the automatic feature extraction and analysis of clinical data. It is because of this reason that denoising methods have been traditionally applied to improve MR image quality. Many of these methods use the information of a single image without taking into consideration the intrinsic multicomponent nature of MR images. In this paper we propose a new filter to reduce random noise in multicomponent MR images by spatially averaging similar pixels using information from all available image components to perform the denoising process. The proposed algorithm also uses a local Principal Component Analysis decomposition as a postprocessing step to remove more noise by using information not only in the spatial domain but also in the intercomponent domain dealing in a higher noise reduction without significantly affecting the original image resolution. The proposed method has been compared with similar state-of-art methods over synthetic and real clinical multicomponent MR images showing an improved performance in all cases analyzed. PMID:19888431

  12. Phase coarsening in multicomponent systems.

    Science.gov (United States)

    Wang, K G; Wang, Gabriel Q

    2017-02-01

    A theory for phase coarsening in multicomponent systems is developed in which both the multicomponent thermodynamic effect and kinetic effect from a nonzero volume fraction are considered. In contrast to previous theory, a diffusion screening zone for a coarsening particle due to nonzero volume fraction is introduced. The evolution equation for phase coarsening in multicomponent systems is derived in a rigorous way in the framework of the maximum rate of dissipation with the constraints of mass and energy conservation. Existing previous relations are recovered and generalized. Some findings such as the relationship between the maximum particle size and volume fraction and particle size distribution in multicomponent systems are discovered.

  13. Mechanoactivation of chromium silicide formation in the SiC-Cr-Si system

    Directory of Open Access Journals (Sweden)

    Vlasova M.

    2002-01-01

    Full Text Available The processes of simultaneous grinding of the components of a SiC-Cr-Si mixture and further temperature treatment in the temperature range 1073-1793 K were studied by X-ray phase analysis, IR spectroscopy, electron microscopy, and X-ray microanalysis. It was established that, during grinding of the mixture, chromium silicides form. A temperature treatment completes the process. Silicide formation proceeds within the framework of the diffusion of silicon into chromium. In the presence of SiO2 in the mixture, silicide formation occurs also as a result of the reduction of silica by silicon and silicon carbide. The sintering of synthesized composite SiC-chromium silicides powders at a high temperature under a high pressure (T = 2073 K, P = 5 GPa is accompanied by the destruction of cc-SiC particles, the cc/3 transition in silicon carbide and deformation distortions of the lattices of chromium silicides.

  14. CRYSTALLIZATION IN MULTICOMPONENT GLASSES

    Energy Technology Data Exchange (ETDEWEB)

    KRUGER AA; HRMA PR

    2009-10-08

    In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

  15. Parental involvement and association with adolescents' fruit and vegetable intake at follow-up: Process evaluation results from the multi-component school-based Boost intervention.

    Science.gov (United States)

    Jørgensen, Sanne Ellegård; Jørgensen, Thea Suldrup; Aarestrup, Anne Kristine; Due, Pernille; Krølner, Rikke

    2016-10-26

    Based on the assumption of parental influence on adolescent behavior, multicomponent school-based dietary interventions often include a parental component. The effect of this intervention component is seldom reported and the evidence is inconsistent. We conducted a systematic process evaluation of the parental component and examined whether the leveal of parental involvement in a large multi-component intervention: the Boost study was associated with adolescents' fruit and vegetable (FV) intake at follow-up. The Boost study was targeting FV intake among 1,175 Danish 7th graders (≈13- year-olds) in the school year 2010/11. The study included a school component: free FV in class and curricular activities; a local community component: fact sheets for sports- and youth clubs; and a parental component: presentation of Boost at a parent-school meeting, 6 newsletters to parents, 3 guided student-parent curricular activities, and a student-parent Boost event. Students whose parent replied to the follow-up survey (n = 347). Questionnaire data from students, parents and teachers at 20 intervention schools. Process evaluation measures: dose delivered, dose received, appreciation and level of parental involvement. Parental involvement was trichotomized into: low/no (0-2 points), medium (3 points) and high (4-6 points). The association between level of parental involvement and self-reported FV intake (24-h recall), was analyzed using multilevel regression analyses. The Boost study was presented at a parent-school meeting at all intervention schools. The dose delivered was low to moderate for the three other parental elements. Most parents appreciated the intervention and talked with their child about Boost (83.5 %). High, medium and low parental involvement was found among 30.5 %, 29.6 % and 39.4 % of the students respectively. Parental involvement was highest among women. More men agreed that the parental newsletters provided new information. Students with a medium

  16. Understanding and Improving High-Temperature Structural Properties of Metal-Silicide Intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Bruce S. Kang

    2005-10-10

    The objective of this project was to understand and improve high-temperature structural properties of metal-silicide intermetallic alloys. Through research collaboration between the research team at West Virginia University (WVU) and Dr. J.H. Schneibel at Oak Ridge National Laboratory (ORNL), molybdenum silicide alloys were developed at ORNL and evaluated at WVU through atomistic modeling analyses, thermo-mechanical tests, and metallurgical studies. In this study, molybdenum-based alloys were ductilized by dispersing MgAl2O4 or MgO spinel particles. The addition of spinel particles is hypothesized to getter impurities such as oxygen and nitrogen from the alloy matrix with the result of ductility improvement. The introduction of fine dispersions has also been postulated to improve ductility by acting as a dislocation source or reducing dislocation pile-ups at grain boundaries. The spinel particles, on the other hand, can also act as local notches or crack initiation sites, which is detrimental to the alloy mechanical properties. Optimization of material processing condition is important to develop the desirable molybdenum alloys with sufficient room-temperature ductility. Atomistic analyses were conducted to further understand the mechanism of ductility improvement of the molybdenum alloys and the results showed that trace amount of residual oxygen may be responsible for the brittle behavior of the as-cast Mo alloys. For the alloys studied, uniaxial tensile tests were conducted at different loading rates, and at room and elevated temperatures. Thermal cycling effect on the mechanical properties was also studied. Tensile tests for specimens subjected to either ten or twenty thermal cycles were conducted. For each test, a follow-up detailed fractography and microstructural analysis were carried out. The test results were correlated to the size, density, distribution of the spinel particles and processing time. Thermal expansion tests were carried out using thermo

  17. Multicomponent density functional theory embedding formulation.

    Science.gov (United States)

    Culpitt, Tanner; Brorsen, Kurt R; Pak, Michael V; Hammes-Schiffer, Sharon

    2016-07-28

    Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF(-) molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

  18. Hydrogen generation systems and methods utilizing sodium silicide and sodium silica gel materials

    Energy Technology Data Exchange (ETDEWEB)

    Wallace, Andrew P.; Melack, John M.; Lefenfeld, Michael

    2017-12-19

    Systems, devices, and methods combine thermally stable reactant materials and aqueous solutions to generate hydrogen and a non-toxic liquid by-product. The reactant materials can sodium silicide or sodium silica gel. The hydrogen generation devices are used in fuels cells and other industrial applications. One system combines cooling, pumping, water storage, and other devices to sense and control reactions between reactant materials and aqueous solutions to generate hydrogen. Springs and other pressurization mechanisms pressurize and deliver an aqueous solution to the reaction. A check valve and other pressure regulation mechanisms regulate the pressure of the aqueous solution delivered to the reactant fuel material in the reactor based upon characteristics of the pressurization mechanisms and can regulate the pressure of the delivered aqueous solution as a steady decay associated with the pressurization force. The pressure regulation mechanism can also prevent hydrogen gas from deflecting the pressure regulation mechanism.

  19. Hydrogen generation systems and methods utilizing sodium silicide and sodium silica gel materials

    Science.gov (United States)

    Wallace, Andrew P.; Melack, John M.; Lefenfeld, Michael

    2015-08-11

    Systems, devices, and methods combine thermally stable reactant materials and aqueous solutions to generate hydrogen and a non-toxic liquid by-product. The reactant materials can sodium silicide or sodium silica gel. The hydrogen generation devices are used in fuels cells and other industrial applications. One system combines cooling, pumping, water storage, and other devices to sense and control reactions between reactant materials and aqueous solutions to generate hydrogen. Springs and other pressurization mechanisms pressurize and deliver an aqueous solution to the reaction. A check valve and other pressure regulation mechanisms regulate the pressure of the aqueous solution delivered to the reactant fuel material in the reactor based upon characteristics of the pressurization mechanisms and can regulate the pressure of the delivered aqueous solution as a steady decay associated with the pressurization force. The pressure regulation mechanism can also prevent hydrogen gas from deflecting the pressure regulation mechanism.

  20. Study on the variation rules of the joint effects for multicomponent mixtures containing cyanogenic toxicants and aldehydes based on the transition state theory.

    Science.gov (United States)

    Li, Weiying; Tian, Dayong; Lin, Zhifen; Wang, Dali; Yu, Hongxia

    2014-02-28

    Although the study of the variation rules of the joint effects for multicomponent mixtures has gained increasing attention, it still remains unclear how the variation occurs and what the relationships between the joint effects of multicomponent mixtures and their corresponding binary mixtures are. To explain how the variation occurs, this study first proposes a hypothesis on the variation rules of the joint effects using the well-known transition state theory. The hypothesis concluded that the joint effect of multicomponent mixtures is among the joint effects of the corresponding binary mixtures. This hypothesis was named the fishing hypothesis because there is a similarity between the action process of the joint effects and the fishing process. Next, the hypothesis was validated by use of the experimental data by evaluating the joint effects of binary, ternary and quaternary mixtures containing cyanogenic toxicants and aldehydes on Photobacterium phosphoreum. The application of the fishing hypothesis can explain the rule as to how the joint effects of a multicomponent-mixture vary with its number of components and their ratios. This study provides a good method to predict the joint effects of multicomponent mixtures using the joint effects of their corresponding binary mixtures. An improvement in the fishing hypothesis will be needed in our future studies due to the approximate assumptions used in the deduction of the hypothesis. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Transforming Social Regularities in a Multicomponent Community-Based Intervention: A Case Study of Professionals' Adaptability to Better Support Parents to Meet Their Children's Needs.

    Science.gov (United States)

    Quiroz Saavedra, Rodrigo; Brunson, Liesette; Bigras, Nathalie

    2017-06-01

    This paper presents an in-depth case study of the dynamic processes of mutual adjustment that occurred between two professional teams participating in a multicomponent community-based intervention (CBI). Drawing on the concept of social regularities, we focus on patterns of social interaction within and across the two microsystems involved in delivering the intervention. Two research strategies, narrative analysis and structural network analysis, were used to reveal the social regularities linking the two microsystems. Results document strategies and actions undertaken by the professionals responsible for the intervention to modify intersetting social regularities to deal with a problem situation that arose during the course of one intervention cycle. The results illustrate how key social regularities were modified in order to resolve the problem situation and allow the intervention to continue to function smoothly. We propose that these changes represent a transition to a new state of the ecological intervention system. This transformation appeared to be the result of certain key intervening mechanisms: changing key role relationships, boundary spanning, and synergy. The transformation also appeared to be linked to positive setting-level and individual-level outcomes: confidence of key team members, joint planning, decision-making and intervention activities, and the achievement of desired intervention objectives. © Society for Community Research and Action 2017.

  2. Growth and stability of dysprosium silicide nanostructures on Si(001)

    Science.gov (United States)

    Zeman, Matthew; Nemanich, Robert

    2007-03-01

    The growth and coarsening dynamics of epitaxial dysprosium silicide nanostructures on Si(001) are observed using tunable ultra-violet free electron laser excitation for photo-electron emission microscopy (PEEM). A dense array of compact silicide nanostructures is observed to coarsen during annealing at 950-1050C. Some of the nanostructures grow into large flat-topped rectangular islands at the expense of smaller islands which disappear via Ostwald ripening. The coarsening rate of the island distribution increases with increasing temperature, and the formation of a flat top on the growing islands is related to strain relaxation. Additionally, the shape and growth rates of the islands may be influenced by the island crystal structure and/or local island distributions. A subsequent deposition of dysprosium onto the surface results in the nucleation of new island and nanowire structures. Immediately after the deposition is terminated the nanowires begin to decay from the ends while the larger island structures grow. The decay of the wires can be attributed to Ostwald ripening and is explained in terms of the Gibbs-Thompson relation, where the high adatom concentration at the nanowire ends leads to the diffusion of adatoms away from the wires towards the larger surrounding structures. In situ movies will be presented which detail the growth and coarsening processes.

  3. Physical properties of ternary silicide superconductors Li2XSi3 (X = Rh, Os): An ab initio study

    Science.gov (United States)

    Alam, M. A.; Zilani, M. A. K.; Parvin, F.; Hadi, M. A.

    2017-08-01

    An ab initio method, based on the plane wave pseudopotential and the generalized gradient approximation (GGA), is performed to investigate the physical properties such as structural, elastic, electronic and bonding properties of newly synthesized Li2RhSi3 and predicted Li2OsSi3 ternary silicide superconductors for the first time. Both of these compounds are mechanically stable and are brittle in nature. They also have good machinability. Electronic band structures reveal that these compounds have metallic characteristics. They possess complex bonding nature (metallic, covalent and ionic). According to theoretical Vickers hardness, Li2RhSi3 is softer than Li2OsSi3.

  4. Discovery of Brownleeite: a New Manganese Silicide Mineral in an Interplanetary Dust Particle

    Science.gov (United States)

    Keller, Lindsay P.; Nakamura-Messenger, Keiko; Clemett, Simon J.; Messenger, Scott; Jones, John H.; Palma, Russell L.; Pepin, Robert O.; Klock, Wolfgang; Zolensky, Michael E.; Tatsuoka, Hirokazu

    2011-01-01

    The Earth accretes approximately 40,000 tons of cosmic dust annually, originating mainly from the disintegration of comets and collisions among asteroids. This cosmic dust, also known as interplanetary dust particles (IDPs), is a subject of intense interest since it is made of the original building blocks of our Solar System. Although the specific parent bodies of IDPs are unknown, the anhydrous chondritic-porous IDPs (CP-IDPs) subset has been potentially linked to a cometary source. The CP-IDPs are extremely primitive materials based on their unequilibrated mineralogy, C-rich chemistry, and anomalous isotopic signatures. In particular, some CP-IDPs escaped the thermal, aqueous and impact shock processing that has modified or destroyed the original mineralogy of meteorites. Thus, the CP-IDPs represent some of the most primitive solar system materials available for laboratory study. Most CP-IDPs are comprised of minerals that are common on Earth. However, in the course of an examination of one of the CP-IDPs, we encountered three sub-micrometer sized grains of manganese silicide (MnSi), a phase that has heretofore not been found in nature. In the seminar, we would like to focus on IDP studies and this manganese silicide phase that has been approved as the first new mineral identified from a comet by the International Mineralogical Association (IMA) in 2008. The mineral is named in honour of Donald E. Brownlee, an American astronomer and a founder of the field of cosmic dust research who is the principal investigator of the NASA Stardust Mission that collected dust samples from Comet 81P/Wild-2 and returned them to Earth. Much of our current view and understanding of the early solar system would not exist without the pioneering work of professor Don Brownlee in the study of IDPs.

  5. Influence of IR-laser irradiation on {alpha}-SiC-chromium silicides ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Vlasova, M. [Centro de Investigaciones en Ingenieria y Ciencias Aplicadas, Autonomous University of State of Morelos, Av. Universidad 1001-Col. Chamilpa, 62210 Cuernavaca, Morelos (Mexico)]. E-mail: kakazey@hotmail.com; Marquez Aguilar, P.A. [Centro de Investigaciones en Ingenieria y Ciencias Aplicadas, Autonomous University of State of Morelos, Av. Universidad 1001-Col. Chamilpa, 62210 Cuernavaca, Morelos (Mexico); Resendiz-Gonzalez, M.C. [Centro de Investigaciones en Ingenieria y Ciencias Aplicadas, Autonomous University of State of Morelos, Av. Universidad 1001-Col. Chamilpa, 62210 Cuernavaca, Morelos (Mexico); Kakazey, M. [Centro de Investigaciones en Ingenieria y Ciencias Aplicadas, Autonomous University of State of Morelos, Av. Universidad 1001-Col. Chamilpa, 62210 Cuernavaca, Morelos (Mexico); Bykov, A. [Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Str. Krzhizhanovskogo 3, Kiev 252680 (Ukraine); Gonzalez Morales, I. [Centro de Investigaciones en Ingenieria y Ciencias Aplicadas, Autonomous University of State of Morelos, Av. Universidad 1001-Col. Chamilpa, 62210 Cuernavaca, Morelos (Mexico)

    2005-09-15

    This project investigated the influence of IR-laser irradiation ({lambda} = 1064 nm, P = 240 mW) on composite ceramics SiC-chromium silicides (CrSi{sub 2}, CrSi, Cr{sub 5}Si{sub 3}) by methods of X-ray diffraction, electron microscopy, atomic force microscopy, and X-ray microanalysis. Samples were irradiated in air. It was established that a surface temperature of 1990 K was required to melt chromium silicides, evaporate silicon from SiC, oxidize chromium silicides, and enrich superficial layer by carbon and chromium oxide.

  6. Multicomponent polymeric materials

    CERN Document Server

    Thomas, Sabu; Saha, Prosenjit

    2016-01-01

    The book offers an in-depth review of the materials design and manufacturing processes employed in the development of multi-component or multiphase polymer material systems. This field has seen rapid growth in both academic and industrial research, as multiphase materials are increasingly replacing traditional single-component materials in commercial applications. Many obstacles can be overcome by processing and using multiphase materials in automobile, construction, aerospace, food processing, and other chemical industry applications. The comprehensive description of the processing, characterization, and application of multiphase materials presented in this book offers a world of new ideas and potential technological advantages for academics, researchers, students, and industrial manufacturers from diverse fields including rubber engineering, polymer chemistry, materials processing and chemical science. From the commercial point of view it will be of great value to those involved in processing, optimizing an...

  7. Web/Internet-based telemonitoring of a randomized controlled trial evaluating the time-integrated effects of a 24-week multicomponent intervention on key health outcomes in patients with fibromyalgia.

    Science.gov (United States)

    Salaffi, Fausto; Ciapetti, Alessandro; Gasparini, Stefania; Atzeni, Fabiola; Sarzi-Puttini, Piercarlo; Baroni, Marinella

    2015-01-01

    The aims of the study were to assess the efficacy of a multicomponent intervention and evaluate the feasibility and user acceptance of an internet-based home telemedical surveillance system for the evaluation of pain and other key health outcomes in patients with fibromyalgia (FM). The study involved 76 FM patients who were randomised to usual care or the multicomponent exercise programme, which consisted of 24 twice-weekly sessions of combined aerobic, muscle strength training exercises and education. All the patients completed the revised version of the Fibromyalgia Impact Questionnaire (FIQR) and the self-administered Fibromyalgia Activity Score (FAS). A predefined website allowed authorised users to enter data via a personal computer (PC) and Internet browser. The differences between the groups were assessed using the Mann-Whitney U-test and Fisher's exact test, and the correlations were analysed using Spearman's rank correlation test. The multicomponent intervention led to a clinically relevant difference in improvement in comparison with the standard approach. It markedly improved the FIQR symptom subscale score, significantly increased the time-integrated area under the curve (AUC) of the FAS scores, and led to a greater benefit in terms of fatigue and the quality of sleep. The mean change in the AUC of the total FIQR score closely correlated with the changes in the AUC of the total FAS score. The multicomponent approach to FM was effective in treating the key symptoms and maintaining the improvements in the short term, and telemonitoring proved to be an easyto-use solution for patient-centred data acquisition.

  8. NMOS contact resistance reduction with selenium implant into NiPt silicide

    Science.gov (United States)

    Rao, K. V.; Khaja, F. A.; Ni, C. N.; Muthukrishnan, S.; Darlark, A.; Lei, J.; Peidous, I.; Brand, A.; Henry, T.; Variam, N.; Erokhin, Y.

    2012-11-01

    A 25% reduction in NMOS contact resistance (Rc) was achieved by Selenium implantation into NiPt silicide film in VIISta Trident high-current single-wafer implanter. The Trident implanter is designed for shallow high-dose implants with high beam currents to maintain high throughput (for low CoO), with improved micro-uniformity and no energy contamination. The integration of Se implant was realized using a test chip dedicated to investigating silicide/junction related electrical properties and testable after silicidation. The silicide module processes were optimized, including the pre-clean (prior to RF PVD NiPt dep) and pre- and post-implant anneals. A 270°C soak anneal was used for RTP1, whereas a msec laser anneal was employed for RTP2 with sufficient process window (800-850°C), while maintaining excellent junction characteristics without Rs degradation.

  9. LCoMotion - Learning, Cognition and Motion; a multicomponent cluster randomized school-based intervention aimed at increasing learning and cognition - rationale, design and methods

    DEFF Research Database (Denmark)

    Bugge, Anna; Tarp, Jakob; Ostergaard, Lars

    2014-01-01

    with the intervention was assessed by short message service (SMS)-tracking and questionnaires were delivered to students, parents and teachers. DISCUSSION: LCoMotion has ability to provide new insights on the effectiveness of a multicomponent intervention on cognitive function and academic skills in 6th and 7th grade...

  10. A Research-Based Undergraduate Organic Laboratory Project: Investigation of a One-Pot, Multicomponent, Environmentally Friendly Prins-Friedel-Crafts-Type Reaction

    Science.gov (United States)

    Dintzner, Matthew R.; Maresh, Justin J.; Kinzie, Charles R.; Arena, Anthony F.; Speltz, Thomas

    2012-01-01

    Students in the undergraduate organic laboratory synthesize tetrahydro-2-(4-nitrophenyl)-4-phenyl-2"H"-pyran via the Montmorillonite K10 clay-catalyzed reaction of p-nitrobenzaldehye with methanol, 3-buten-1-ol, and benzene. The synthesis comprises an environmentally friendly tandem Prins-Friedel-Crafts-type multicomponent reaction (MCR) and sets…

  11. Effects of a multi-component camp-based intervention on inflammatory markers and adipokines in children

    DEFF Research Database (Denmark)

    Huang, T.; Larsen, K. T.; Moller, N. C.

    2015-01-01

    arm (DCIA) or the standard intervention arm (SIA). The intervention for the DCIA consisted of a 6-week camp-based intervention and a 46-week family-based intervention. The SIA was offered one weekly physical activity session for 6 weeks and one educational meeting. C-reactive protein (CRP), monocyte...

  12. Silicon to Nickel Silicide Longitudinal Nanowire Heterostructures: Synthesis, Electrical Characterization and Novel Devices

    OpenAIRE

    Weber, Walter Michael

    2009-01-01

    The scope of this thesis is the synthesis and electrical characterization of Si to Ni silicide nanowire heterostructures with the focus on investigating their electronic transport properties and conceiving a novel type of transistor. Intrinsic Si nanowires (SiNW) were grown employing the vapor-liquid-solid mechanism. A central part of this thesis is the development of the longitudinal intrusion of Ni silicide into the SiNWs resulting in interfaces with a sharpness of at most a couple of n...

  13. Status of the atomized uranium silicide fuel development at KAERI

    Energy Technology Data Exchange (ETDEWEB)

    Kim, C.K.; Kim, K.H.; Park, H.D.; Kuk, I.H. [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1997-08-01

    While developing KMRR fuel fabrication technology an atomizing technique has been applied in order to eliminate the difficulties relating to the tough property of U{sub 3}Si and to take advantage of the rapid solidification effect of atomization. The comparison between the conventionally comminuted powder dispersion fuel and the atomized powder dispersion fuel has been made. As the result, the processes, uranium silicide powdering and heat treatment for U{sub 3}Si transformation, become simplified. The workability, the thermal conductivity and the thermal compatibility of fuel meat have been investigated and found to be improved due to the spherical shape of atomized powder. In this presentation the overall developments of atomized U{sub 3}Si dispersion fuel and the planned activities for applying the atomizing technique to the real fuel fabrication are described.

  14. Multicomponent synthesis of diverse pyrano-fused benzophenazines using bifunctional thiourea-based organocatalyst in aqueous medium.

    Science.gov (United States)

    Bharti, Ruchi; Parvin, Tasneem

    2016-11-01

    A series of pyrano-fused benzophenazines were synthesized using a bifunctional thiourea-based organocatalyst from the one-pot four-component reaction of 2-hydroxy-1,4-naphthoquinone, benzene-1,2-diamines, malononitrile or its derivatives and isatins or aromatic aldehydes in aqueous medium. Metal-free reaction condition, water as solvent, high bond forming efficiency (five new bonds formed in one step), good yields and easy purification process are the notable features of this methodology.

  15. Effectiveness of a school-based multi-component smoking prevention intervention: the LdP cluster randomized controlled trial.

    Science.gov (United States)

    Gorini, Giuseppe; Carreras, Giulia; Bosi, Sandra; Tamelli, Marco; Monti, Claudia; Storani, Simone; Martini, Andrea; Allara, Elias; Angelini, Paola; Faggiano, Fabrizio

    2014-04-01

    We assessed the effectiveness of the Luoghi di Prevenzione-Prevention Grounds school-based smoking prevention programme. We undertook a cluster randomized controlled trial of 989 students aged 14-15 years in 13 secondary schools located in Reggio Emilia, Italy. The intervention consisted of the "Smoking Prevention Tour" (SPT) out-of-school workshop, one in-depth lesson on one Smoking Prevention Tour topic, a life-skills peer-led intervention, and enforcement surveillance of school antismoking policy. Self-reported past 30-day smoking of ≥ 20 or 1-19 days of cigarette smoking (daily or frequent smoking, respectively) was recorded in 2 surveys administered immediately before and 18 months after the beginning of the programme. Analysis was by intention to treat. The effect of the intervention was evaluated using random effects logistic regression and propensity score-matching analyses. Past 30-day smoking and daily cigarette use at eighteen months follow-up were 31% and 46% lower, respectively, for intervention students compared to control students. Taking into account non-smokers at baseline only, daily smoking at eighteen months follow-up was 59% lower in intervention students than in controls. Past 30-day smoking in school areas was 62% lower in intervention students compared to controls. The Luoghi di Prevenzione-Prevention Grounds programme was effective in reducing daily smokers and in reducing smoking in school areas. Copyright © 2014 Elsevier Inc. All rights reserved.

  16. Micro-/nanostructured multicomponent molecular materials: design, assembly, and functionality.

    Science.gov (United States)

    Yan, Dongpeng

    2015-03-23

    Molecule-based micro-/nanomaterials have attracted considerable attention because their properties can vary greatly from the corresponding macro-sized bulk systems. Recently, the construction of multicomponent molecular solids based on crystal engineering principles has emerged as a promising alternative way to develop micro-/nanomaterials. Unlike single-component materials, the resulting multicomponent systems offer the advantages of tunable composition, and adjustable molecular arrangement, and intermolecular interactions within their solid states. The study of these materials also supplies insight into how the crystal structure, molecular components, and micro-/nanoscale effects can influence the performance of molecular materials. In this review, we describe recent advances and current directions in the assembly and applications of crystalline multicomponent micro-/nanostructures. Firstly, the design strategies for multicomponent systems based on molecular recognition and crystal engineering principles are introduced. Attention is then focused on the methods of fabrication of low-dimensional multicomponent micro-/nanostructures. Their new applications are also outlined. Finally, we briefly discuss perspectives for the further development of these molecular crystalline micro-/nanomaterials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Technology CAD of silicided Schottky barrier MOSFET for elevated source-drain engineering

    Energy Technology Data Exchange (ETDEWEB)

    Saha, A.R. [Department of Electronics and ECE, IIT, Kharagpur 721302 (India)]. E-mail: ars.iitkgp@gmail.com; Chattopadhyay, S. [Department of Electronics and ECE, IIT, Kharagpur 721302 (India); School of Electrical, Electronics and Computer Engineering, University of Newcastle, Newcastle upon Tyne (United Kingdom); Bose, C. [Department of Electronics and Telecommunication Engineering, Jadavpur University, Calcutta 700032 (India); Maiti, C.K. [Department of Electronics and ECE, IIT, Kharagpur 721302 (India)

    2005-12-05

    Technology CAD has been used to study the performance of a silicided Schottky barrier (SB) MOSFET with gate, source and drain contacts realized with nickel-silicide. Elevated source-drain structures have been used towards the S/D engineering of CMOS devices. A full process-to-device simulation has been employed to predict the performance of sub-micron SB n-MOSFETs for the first time. A model for the diffusion and alloy growth kinetics has been incorporated in SILVACO-ATLAS and ATHENA to explore the processing and design parameter space for the Ni-silicided MOSFETs. The temperature and concentration dependent diffusion model for NiSi have been developed and necessary material parameters for nickel-silicide and epitaxial-Si have been incorporated through the C-interpreter function. Two-dimensional (2D) process-to-device simulations have also been used to study the dc and ac (RF) performance of silicided Schottky barrier (SB) n-MOSFETs. The extracted sheet resistivity, as a function of annealing temperature of the silicided S/D contacts, is found to be lower than the conventional contacts currently in use. It is also shown that the Technology CAD has the full capability to predict the possible dc and ac performance enhancement of a MOSFET with elevated S/D structures. While the simulated dc performance shows a clear enhancement, the RF analyses show no performance degradation in the cut-off frequency/propagation delay and also improve the ac performance due to the incorporation of silicide contacts in the S/D region.

  18. Study protocol for a multi-component kindergarten-based intervention to promote healthy diets in toddlers: a cluster randomized trial.

    Science.gov (United States)

    Helland, Sissel H; Bere, Elling; Øverby, Nina Cecilie

    2016-03-17

    There is concern about the lack of diversity in children's diets, particularly low intakes of fruit and vegetables and high intakes of unhealthy processed food. This may be a factor in the rising prevalence of obesity. A reason for the lack of diversity in children's diets may be food neophobia. This study aimed to promote a healthy and varied diet among toddlers in kindergarten. The primary objectives were to reduce food neophobia in toddlers, and promote healthy feeding practices among kindergarten staff and parents. Secondary objectives were to increase food variety in toddlers' diets and reduce future overweight and obesity in these children. This is an ongoing, cluster randomized trial. The intervention finished in 2014, but follow-up data collection is not yet complete. Eighteen randomly selected kindergartens located in two counties in Norway with enrolled children born in 2012 participated in the intervention. The kindergartens were matched into pairs based on background information, and randomly assigned to the intervention or control groups. A 9-week multi-component intervention was implemented, with four main elements: 1) kindergarten staff implemented a pedagogical tool (Sapere method) in daily sessions to promote willingness to try new food; 2) kindergarten staff prepared and served the toddlers a cooked lunch from a menu corresponding to the pedagogical sessions; 3) kindergarten staff were encouraged to follow 10 meal principles on modeling, responsive feeding, repeated exposure, and enjoyable meals; and 4) parents were encouraged to read information and apply relevant feeding practices at home. The control group continued their usual practices. Preference taste tests were conducted to evaluate behavioral food neophobia, and children's height and weight were measured. Parents and staff completed questionnaires before and after the intervention. Data have not yet been analyzed. This study provides new knowledge about whether or not a Sapere

  19. Study protocol for a multi-component kindergarten-based intervention to promote healthy diets in toddlers: a cluster randomized trial

    Directory of Open Access Journals (Sweden)

    Sissel H. Helland

    2016-03-01

    Full Text Available Abstract Background There is concern about the lack of diversity in children’s diets, particularly low intakes of fruit and vegetables and high intakes of unhealthy processed food. This may be a factor in the rising prevalence of obesity. A reason for the lack of diversity in children’s diets may be food neophobia. This study aimed to promote a healthy and varied diet among toddlers in kindergarten. The primary objectives were to reduce food neophobia in toddlers, and promote healthy feeding practices among kindergarten staff and parents. Secondary objectives were to increase food variety in toddlers’ diets and reduce future overweight and obesity in these children. Methods This is an ongoing, cluster randomized trial. The intervention finished in 2014, but follow-up data collection is not yet complete. Eighteen randomly selected kindergartens located in two counties in Norway with enrolled children born in 2012 participated in the intervention. The kindergartens were matched into pairs based on background information, and randomly assigned to the intervention or control groups. A 9-week multi-component intervention was implemented, with four main elements: 1 kindergarten staff implemented a pedagogical tool (Sapere method in daily sessions to promote willingness to try new food; 2 kindergarten staff prepared and served the toddlers a cooked lunch from a menu corresponding to the pedagogical sessions; 3 kindergarten staff were encouraged to follow 10 meal principles on modeling, responsive feeding, repeated exposure, and enjoyable meals; and 4 parents were encouraged to read information and apply relevant feeding practices at home. The control group continued their usual practices. Preference taste tests were conducted to evaluate behavioral food neophobia, and children’s height and weight were measured. Parents and staff completed questionnaires before and after the intervention. Data have not yet been analyzed. Discussion This study

  20. Rate Theory Modeling and Simulations of Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States); Ye, Bei [Argonne National Lab. (ANL), Argonne, IL (United States); Mei, Zhigang [Argonne National Lab. (ANL), Argonne, IL (United States); Hofman, Gerard [Argonne National Lab. (ANL), Argonne, IL (United States); Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-12-10

    Uranium silicide (U3Si2) fuel has higher thermal conductivity and higher uranium density, making it a promising candidate for the accident-tolerant fuel (ATF) used in light water reactors (LWRs). However, previous studies on the fuel performance of U3Si2, including both experimental and computational approaches, have been focusing on the irradiation conditions in research reactors, which usually involve low operation temperatures and high fuel burnups. Thus, it is important to examine the fuel performance of U3Si2 at typical LWR conditions so as to evaluate the feasibility of replacing conventional uranium dioxide fuel with this silicide fuel material. As in-reactor irradiation experiments involve significant time and financial cost, it is appropriate to utilize modeling tools to estimate the behavior of U3Si2 in LWRs based on all those available research reactor experimental references and state-of-the-art density functional theory (DFT) calculation capabilities at the early development stage. Hence, in this report, a comprehensive investigation of the fission gas swelling behavior of U3Si2 at LWR conditions is introduced. The modeling efforts mentioned in this report was based on the rate theory (RT) model of fission gas bubble evolution that has been successfully applied for a variety of fuel materials at devious reactor conditions. Both existing experimental data and DFT-calculated results were used for the optimization of the parameters adopted by the RT model. Meanwhile, the fuel-cladding interaction was captured by the coupling of the RT model with simplified mechanical correlations. Therefore, the swelling behavior of U3Si2 fuel and its consequent interaction with cladding in LWRs was predicted by the rate theory modeling, providing valuable information for the development of U3Si2 fuel as an accident

  1. On the calculation of a squared-off cascade for multicomponent isotope separation

    Energy Technology Data Exchange (ETDEWEB)

    Kholpanov, L.P. [Russian Academy of Science, Moscow (Russian Federation). Inst. of New Chemical Problems; Potapov, D.V.; Sulaberidze, G.A.; Chuzhinov, V.A. [Moscow State Engineering Physics Institute (Technical Univ.), Moscow (Russian Federation)

    1998-09-01

    In this paper, a technique for calculating the stationary transfer of a multicomponent isotopic mixture in squared-off cascades is considered. The proposed method is based on quasi-linearization of the equation system describing the process of multicomponent separation. The transition to relative component concentrations is used to exclude unknown boundary conditions. The suggested method reduces the time of cascade calculation. (orig.)

  2. Epitaxial insertion of gold silicide nanodisks during the growth of silicon nanowires.

    Science.gov (United States)

    Um, Han-Don; Jee, Sang-Won; Park, Kwang-Tae; Jung, Jin-Young; Guo, Zhongyi; Lee, Jung-Ho

    2011-07-01

    Nanodisk-shaped, single-crystal gold silicide heterojunctions were inserted into silicon nanowires during vapor-liquid-solid growth using Au as a catalyst within a specific range of chlorine-to-hydrogen atomic ratio. The mechanism of nanodisk formation has been investigated by changing the source gas ratio of SiCl4 to H2. We report that an over-supply of silicon into the Au-Si liquid alloy leads to highly supersaturated solution and enhances the precipitation of Au in the silicon nanowires due to the formation of unstable phases within the liquid alloy. It is shown that the gold precipitates embedded in the silicon nanowires consisted of a metastable gold silicide. Interestingly, faceting of gold silicide was observed at the Au/Si interfaces, and silicon nanowires were epitaxially grown on the top of the nanodisk by vapor-liquid-solid growth. High resolution transmission electron microscopy confirmed that gold silicide nanodisks are epitaxially connected to the silicon nanowires in the direction of growth direction. These gold silicide nanodisks would be useful as nanosized electrical junctions for future applications in nanowire interconnections.

  3. Effect of silicide/silicon hetero-junction structure on thermal conductivity and Seebeck coefficient.

    Science.gov (United States)

    Choi, Wonchul; Park, Young-Sam; Hyun, Younghoon; Zyung, Taehyoung; Kim, Jaehyeon; Kim, Soojung; Jeon, Hyojin; Shin, Mincheol; Jang, Moongyu

    2013-12-01

    We fabricated a thermoelectric device with a silicide/silicon laminated hetero-structure by using RF sputtering and rapid thermal annealing. The device was observed to have Ohmic characteristics by I-V measurement. The temperature differences and Seebeck coefficients of the proposed silicide/silicon laminated and bulk structure were measured. The laminated thermoelectric device shows suppression of heat flow from the hot to cold side. This is supported by the theory that the atomic mass difference between silicide and silicon creates a scattering center for phonons. The major impact of our work is that phonon transmission is suppressed at the interface between silicide and silicon without degrading electrical conductivity. The estimated thermal conductivity of the 3-layer laminated device is 126.2 +/- 3.7 W/m. K. Thus, by using the 3-layer laminated structure, thermal conductivity is reduced by around 16% compared to bulk silicon. However, the Seebeck coefficient of the thermoelectric device is degraded compared to that of bulk silicon. It is understood that electrical conductivity is improved by using silicide as a scattering center.

  4. Multicomponent reactions in polymer synthesis.

    Science.gov (United States)

    Kakuchi, Ryohei

    2014-01-03

    More participants, yet efficient reactions: Multicomponent reactions (MCRs) have found application in polymer chemistry both in the synthesis of multifunctional monomers and in post-polymerization modification. Examples include the Passerini three-component reaction, the Ugi four-component reaction, and the copper-catalyzed MCR. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Simulated Fission Gas Behavior in Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States); Mo, Kun [Argonne National Lab. (ANL), Argonne, IL (United States); Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States); Harp, Jason [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-09-15

    As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U3Si2) at LWR conditions needs to be well-understood. However, existing experimental post-irradiation examination (PIE) data are limited to the research reactor conditions, which involve lower fuel temperature compared to LWR conditions. This lack of appropriate experimental data significantly affects the development of fuel performance codes that can precisely predict the microstructure evolution and property degradation at LWR conditions, and therefore evaluate the qualification of U3Si2 as an AFT for LWRs. Considering the high cost, long timescale, and restrictive access of the in-pile irradiation experiments, this study aims to utilize ion irradiation to simulate the inpile behavior of the U3Si2 fuel. Both in situ TEM ion irradiation and ex situ high-energy ATLAS ion irradiation experiments were employed to simulate different types of microstructure modifications in U3Si2. Multiple PIE techniques were used or will be used to quantitatively analyze the microstructure evolution induced by ion irradiation so as to provide valuable reference for the development of fuel performance code prior to the availability of the in-pile irradiation data.

  6. FY 1998 annual report on the improvement of toughness of silicide-based intermetallic compounds by controlling their composite structures; 1998 nendo fukugo soshikika ni yoru shirisaidokei kinzokukan kagobutsu no kyojinsei kaizen chosa hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-03-01

    Intermetallic compounds, although attracting much attention as most promising materials serviceable at superhigh temperature, are very fragile at normal temperature, which is one of their major disadvantages. Structures of these compounds prepared by the melting method are controlled to improve their toughness by, e.g., changing phase ratio of the initial crystal for the Mo-Si-Nb system to prevent cracking during the melting and casting stages, addition of a third element (e.g., Zr, Ti or Hf) or a mixed component of Nb and Zr to control the structure of Mo{sub 5}Si{sub 3} considered to be a cause for the cracking, and controlling melting and solidification rates for the FZ melting method. The three-phase microstructures with added Hf or Zr show improved toughness, but need additional procedures for controlling solidification and cooling conditions. For the powder method, the MA conditions are investigated with a two-element system, and the effects of Al or Zr as the third element added to the base composition on the composite microstructures and constituent phases are also investigated. Unlike the melting method, the powder method causes no cracking problems during the stock preparation stage and hence is expected to be applicable to production of larger stocks. However, the products by this method are found to be insufficient both in toughness and high-temperature strength. It is necessary to develop methods for cutting down and controlling oxides in the grain boundaries, in order to prevent deterioration of their strength at high temperature. (NEDO)

  7. Early Reading Intervention by Means of a Multicomponent Reading Game

    Science.gov (United States)

    van de Ven, M.; de Leeuw, L.; van Weerdenburg, M.; Steenbeek-Planting, E. G.

    2017-01-01

    This study examined the effects of an intervention with a multicomponent reading game on the development of reading skills in 60 Dutch primary school children with special educational needs. The game contains evidence-based reading exercises and is based on principles of applied gaming. Using a multiple baseline approach, we tested children's…

  8. Early reading intervention by means of a multicomponent reading game

    NARCIS (Netherlands)

    Ven, M.A.M. van de; Leeuw, L.C. de; Weerdenburg, M.W.C. van; Steenbeek-Planting, E.G.

    2017-01-01

    This study examined the effects of an intervention with a multicomponent reading game on the development of reading skills in 60 Dutch primary school children with special educational needs. The game contains evidence-based reading exercises and is based on principles of applied gaming. Using a

  9. The Huber’s Method-based Gas Concentration Reconstruction in Multicomponent Gas Mixtures from Multispectral Laser Measurements under Noise Overshoot Conditions

    Directory of Open Access Journals (Sweden)

    V. A. Gorodnichev

    2016-01-01

    Full Text Available Laser gas analysers are the most promising for the rapid quantitative analysis of gaseous air pollution. A laser gas analysis problem is that there are instable results in reconstruction of gas mixture components concentration under real noise in the recorded laser signal. This necessitates using the special processing algorithms. When reconstructing the quantitative composition of multi-component gas mixtures from the multispectral laser measurements are efficiently used methods such as Tikhonov regularization, quasi-solution search, and finding of Bayesian estimators. These methods enable using the single measurement results to determine the quantitative composition of gas mixtures under measurement noise. In remote sensing the stationary gas formations or in laboratory analysis of the previously selected (when the gas mixture is stationary air samples the reconstruction procedures under measurement noise of gas concentrations in multicomponent mixtures can be much simpler. The paper considers a problem of multispectral laser analysis of stationary gas mixtures for which it is possible to conduct a series of measurements. With noise overshoots in the recorded laser signal (and, consequently, overshoots of gas concentrations determined by a single measurement must be used stable (robust estimation techniques for substantial reducing an impact of the overshoots on the estimate of required parameters. The paper proposes the Huber method to determine gas concentrations in multicomponent mixtures under signal overshoot. To estimate the value of Huber parameter and the efficiency of Huber's method to find the stable estimates of gas concentrations in multicomponent stationary mixtures from the laser measurements the mathematical modelling was conducted. Science & Education of the Bauman MSTU 108 The mathematical modelling results show that despite the considerable difference among the errors of the mixture gas components themselves a character of

  10. Tuning magnetic response of epitaxial iron-silicide nanoislands by controlled self-assembled growth

    Science.gov (United States)

    Goldfarb, I.; Camus, Y.; Dascalu, M.; Cesura, F.; Chalasani, R.; Kohn, A.

    2017-07-01

    We investigated the dependence of the magnetic response from epitaxial Si-rich iron-silicide nanostructures on their geometry. By varying substrate orientation and deposition parameters, we altered the growth kinetics and the lattice matching conditions at the silicide/silicon interface. These affected the silicide nanoisland crystal structure, size, shape, and proximity due to spatial ordering and, consequently, their magnetic response in terms of shape and opening of the respective hysteresis loops. In particular, we demonstrated correlation between magnetic anisotropy, expressed as the hysteresis coercive field, and the nanoisland spatial length-to-width aspect ratio. This correlation is explained by the contribution of undercoordinated island edge atoms to the overall measured magnetic behavior of the nanoisland arrays. Further, the island self-ordering along periodic surface steps adds dipolar interactions between the otherwise superparamagnetic nanoislands, consequently resulting in a magnetic response resembling that of a superspin glass.

  11. Influence of Powder Metallurgical Processing Routes on Phase Formations in a Multicomponent NbSi-Alloy

    Science.gov (United States)

    Seemüller, C.; Hartwig, T.; Mulser, M.; Adkins, N.; Wickins, M.; Heilmaier, M.

    2014-09-01

    Refractory metal silicide composites on the basis of Nbss-Nb5Si3 have been investigated as potential alternatives for nickel-base superalloys for years because of their low densities and good high-temperature strengths. NbSi-based composites are typically produced by arc-melting or casting. Samples in this study, however, were produced by powder metallurgy because of the potential for near net-shape component fabrication with very homogeneous microstructures. Either gas atomized powder or high-energy mechanically alloyed elemental powders were compacted by powder injection molding or hot isostatic pressing. Heat treatments were applied for phase stability evaluation. Slight compositional changes (oxygen, nitrogen, or iron) introduced by the processing route, i.e., powder production and consolidation, can affect phase formations and phase transitions during the process. Special focus is put on the distinction between different silicides (Nb5Si3 and Nb3Si) and silicide modifications (α-, β-, and γ-Nb5Si3), respectively. These were evaluated by x-ray diffraction and energy-dispersive spectroscopy measurements with the additional inclusion of thermodynamic calculations using the calculated phase diagram method.

  12. Numerical Simulation of Multicomponent Ion Beam from Ion Sources

    CERN Document Server

    Alexandrov, V S; Kazarinov, Yu M; Shevtsov, V P; Shirkov, G D

    1999-01-01

    A program library for numerical simulation of a multicomponent charged particle beam from ion sources is presented. The library is aimed for simulation of high current, low energy multicomponent ion beam from ion source through beamline and realized under the Windows user interface for the IBM PC. It is used for simulation and optimization of beam dynamics and based on successive and consistent application of two methods: the momentum method of distribution function (RMS technique) and particle in cell method. The library has been used to simulate and optimize the transportation of tantalum ion beam from the laser ion source (CERN) and calcium ion beam from the ECR ion source (JINR, Dubna).

  13. Status of core conversion with LEU silicide fuel in JRR-4

    Energy Technology Data Exchange (ETDEWEB)

    Nakajima, Teruo; Ohnishi, Nobuaki; Shirai, Eiji [Japan Atomic Energy Research Institute, Ibaraki-ken (Japan)

    1997-08-01

    Japan Research Reactor No.4 (JRR-4) is a light water moderated and cooled, 93% enriched uranium ETR-type fuel used and swimming pool type reactor with thermal output of 3.5MW. Since the first criticality was achieved on January 28, 1965, JRR-4 has been used for shielding experiments, radioisotope production, neutron activation analyses, training for reactor engineers and so on for about 30 years. Within the framework of the RERTR Program, the works for conversion to LEU fuel are now under way, and neutronic and thermal-hydraulic calculations emphasizing on safety and performance aspects are being carried out. The design and evaluation for the core conversion are based on the Guides for Safety Design and Evaluation of research and testing reactor facilities in Japan. These results show that the JRR-4 will be able to convert to use LEU fuel without any major design change of core and size of fuel element. LEU silicide fuel (19.75%) will be used and maximum neutron flux in irradiation hole would be slightly decreased from present neutron flux value of 7x10{sup 13}(n/cm{sup 2}/s). The conversion works are scheduled to complete in 1998, including with upgrade of the reactor building and utilization facilities.

  14. Crystal Structure of Silicides in a Ti - 0.7 WT.% Si Nanostructured Alloy

    Science.gov (United States)

    Ivanov, M. B.; Manokhin, S. S.; Kolobova, A. Yu.

    2017-09-01

    Using warm, lengthwise grooved-roll processing of the Ti - 0.7 wt.% Si alloy, a nanostructured state is formed in it at 873 K with the grain-subgrain elements measuring about 280 nm. The titanium silicides precipitating during the dynamic strain-induced aging of the alloy are investigated by the methods of high-resolution scanning electron microscopy. It is found that the shape of the silicides is close to spherical, they have an FCClattice and an incoherent interface with the matrix.

  15. Optical anisotropy of quasi-1D rare-earth silicide nanostructures on Si(001)

    Science.gov (United States)

    Chandola, S.; Speiser, E.; Esser, N.; Appelfeller, S.; Franz, M.; Dähne, M.

    2017-03-01

    Rare earth metals are known to interact strongly with Si(001) surfaces to form different types of silicide nanostructures. Using STM to structurally characterize Dy and Tb silicide nanostructures on vicinal Si(001), it will be shown that reflectance anisotropy spectroscopy (RAS) can be used as an optical fingerprint technique to clearly distinguish between the formation of a semiconducting two-dimensional wetting layer and the metallic one-dimensional nanowires. Moreover, the distinctive spectral features can be related to structural units of the nanostructures. RAS spectra of Tb and Dy nanostructures are found to show similar features.

  16. Optically probing the detection mechanism in a molybdenum silicide superconducting nanowire single-photon detector

    CERN Document Server

    Caloz, Misael; Timoney, Nuala; Weiss, Markus; Gariglio, Stefano; Warburton, Richard J; Schönenberger, Christian; Renema, Jelmer; Zbinden, Hugo; Bussieres, Felix

    2016-01-01

    We experimentally investigate the detection mechanism in a meandered molybdenum silicide (MoSi) superconducting nanowire single-photon detector by characterising the detection probability as a function of bias current in the wavelength range of 750 to 2050 nm. Contrary to some previous observations on niobium nitride (NbN) or tungsten silicide (WSi) detectors, we find that the energy-current relation is nonlinear in this range. Furthermore, thanks to the presence of a saturated detection efficiency over the whole range of wavelengths, we precisely quantify the shape of the curves. This allows a detailed study of their features, which are indicative of both Fano fluctuations and position-dependent effects.

  17. Carbon mediated reduction of silicon dioxide and growth of copper silicide particles in uniform width channels

    DEFF Research Database (Denmark)

    Pizzocchero, Filippo; Bøggild, Peter; Booth, Tim

    2013-01-01

    We show that surface arc-discharge deposited carbon plays a critical intermediary role in the breakdown of thermally grown oxide diffusion barriers of 90 nm on a silicon wafer at 1035°C in an Ar/H2 atmosphere, resulting in the formation of epitaxial copper silicide particles in ≈ 10 μm wide...... channels, which are aligned with the intersections of the (100) surface of the wafer and the {110} planes on an oxidized silicon wafer, as well as endotaxial copper silicide nanoparticles within the wafer bulk. We apply energy dispersive x-ray spectroscopy, in combination with scanning and transmission...

  18. Water splitting and electricity with semiconducting silicides in sunlight

    Energy Technology Data Exchange (ETDEWEB)

    Demuth, Martin [Max-Planck-Institut fuer Bioanorganische Chemie, Muelheim an der Ruhr (Germany); H2 Solar GmbH, Loerrach (Germany); Kerpen, Klaus; Kuklya, Andriy; Wuestkamp, Marc-Andre [Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr (Germany)

    2010-07-01

    Generation of hydrogen and oxygen from water is described using mainly the semiconductor titanium disilicide as catalyst and halogen light which closely mimics solar radiation. The reactions are carried out under non-aerobic conditions, i.e., under nitrogen. High efficiencies are reached at 1.1-1.2 bar pressure. In the first phase of these reactions the catalytically active centers are built up. During this phase of reaction the kinetics of the water splitting process is growing in and leads to a linear dependence in the further course of the reactions which consists of >96% water splitting to yield hydrogen and oxygen in a 2:1 ratio. Hydrogen is partially and reversibly stored physically, depending on temperature. Oxygen behaves differently since it is stored entirely under the applied reaction conditions (50-80 C and light) and can be liberated from storage upon heating the slurries in the dark. This allows convenient separation of hydrogen and oxygen. The stability of titanium disilicide has been positively tested over several months. This material is abundant and inexpensive besides that it absorbs most of the solar radiation. Further, XRD and XPS studies show that titanium disilicide is 80% crystalline and the oxide formation is limited to a few molecular layers in depth. By using labeled water it was shown that labeled dioxygen appears in the gas phase of such reactions, this showing definitively that hydrogen evolution occuring here stems from photochemical splitting of water. Further, water splitting is part of a project which involves photoelectrochemistry and in which the silicides are used as light-receiving electrode and transition metal-coated anodes serve to split water. (orig.)

  19. Radiation Re-solution Calculation in Uranium-Silicide Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Matthews, Christopher [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Unal, Cetin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-01-27

    The release of fission gas from nuclear fuels is of primary concern for safe operation of nuclear power plants. Although the production of fission gas atoms can be easily calculated from the fission rate in the fuel and the average yield of fission gas, the actual diffusion, behavior, and ultimate escape of fission gas from nuclear fuel depends on many other variables. As fission gas diffuses through the fuel grain, it tends to collect into intra-granular bubbles, as portrayed in Figure 1.1. These bubbles continue to grow due to absorption of single gas atoms. Simultaneously, passing fission fragments can cause collisions in the bubble that result in gas atoms being knocked back into the grain. This so called “re-solution” event results in a transient equilibrium of single gas atoms within the grain. As single gas atoms progress through the grain, they will eventually collect along grain boundaries, creating inter-granular bubbles. As the inter-granular bubbles grow over time, they will interconnect with other grain-face bubbles until a pathway is created to the outside of the fuel surface, at which point the highly pressurized inter-granular bubbles will expel their contents into the fuel plenum. This last process is the primary cause of fission gas release. From the simple description above, it is clear there are several parameters that ultimately affect fission gas release, including the diffusivity of single gas atoms, the absorption and knockout rate of single gas atoms in intra-granular bubbles, and the growth and interlinkage of intergranular bubbles. Of these, the knockout, or re-solution rate has an particularly important role in determining the transient concentration of single gas atoms in the grain. The re-solution rate will be explored in the following sections with regards to uranium-silicide fuels in order to support future models of fission gas bubble behavior.

  20. Immiscible multicomponent lattice Boltzmann model for fluids with ...

    Indian Academy of Sciences (India)

    An immiscible multicomponent lattice Boltzmann model is developed for fluids with high relaxation time ratios, which is based on the model proposed by Shan and Chen (SC). In the SC model, ... Ruofan Qiu1 Anlin Wang1. College of Mechanical Engineering, Tongji University, 4800# Cao'an Road, Shanghai 201804, China ...

  1. Analysis of Multicomponent Adsorption Close to a Dew Point

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Stenby, Erling Halfdan

    1998-01-01

    We develop the potential theory of multicomponent adsorption close to a dew point. The approach is based on an asymptotic adsorption equation (AAE) which is valid in a vicinity of the dew point. By this equation the thickness of the liquid film is expressed through thermodynamic characteristics...

  2. Multicomponent Training of Teachers of Students with Severe Disabilities

    Science.gov (United States)

    Brown, Phillip; Stephenson, Jennifer; Carter, Mark

    2014-01-01

    Over the last decade, the obligation of general and special educators to utilize evidence-based instructional practices has become more prominent. Research increasingly suggests the failure of didactic teacher training alone to ensure implementation with fidelity of these practices by teachers in their classrooms. Multicomponent training (MCT)…

  3. Thermo-feasibility optimization of multiple feed rate multicomponent ...

    African Journals Online (AJOL)

    Simulation was of a multicomponent distisllation system was carried out and the stage-by-stage system exergy analysis was carried out. Multiple feed rate base cases sensitivity results gave the most adequate and feasible thermo-exergetic rate profiles, efficiency ranges and destruction at the depropanizer and debutanizer.

  4. Essential Unidimensionality Examination for Multicomponent Scales: An Interrelationship Decomposition Approach

    Science.gov (United States)

    Raykov, Tenko; Pohl, Steffi

    2013-01-01

    A procedure for examining essential unidimensionality in multicomponent measuring instruments is discussed. The method is based on an application of latent variable modeling and is concerned with the extent to which a common factor for all components of a given scale accounts for their correlations. The approach provides point and interval…

  5. Potential Theory of Multicomponent Adsorption

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Stenby, Erling Halfdan

    1998-01-01

    We developed a theory of multicomponent adsorption on the basis of the potential concept originally suggested by Polanyi. The mixture is considered as a heterogeneous substance segregated in the external field emitted by the adsorbent. The same standard equation of state, with no additional fitting...... parameters, is used for the segregated and for the bulk phases. With this approach, few parameters are needed to correlate pure component adsorption isotherms. These parameters may be used to predict adsorption equilibria of multicomponent mixtures without additional adjustment. A connection between...... the potential theory and the spreading pressure concept is established, and problems of the theory consistency are studied. Numerical algorithms are suggested for evaluation of the segregated state of the mixture in the potential field of adsorption forces. Comparison with experimental data shows good agreement...

  6. Multicomponent Calibration and Quantitation Methods.

    Science.gov (United States)

    1984-11-01

    the analysis of multicomponent spectrophotometric mixtures. Seelig and Blount (37,38) have applied this method to anodic stripping voltammetry and S... factor , selection of the mathematical algorithims, can affect the results by introducing round-off errors into the computations. Page 20 1 "q...linear transmittance scale is the dominant factor ; in modern instruments it is far more likely that the dominant factor will be the photomultiplier

  7. Multicomponent reactions in nucleoside chemistry

    Science.gov (United States)

    Buchowicz, Włodzimierz

    2014-01-01

    Summary This review covers sixty original publications dealing with the application of multicomponent reactions (MCRs) in the synthesis of novel nucleoside analogs. The reported approaches were employed for modifications of the parent nucleoside core or for de novo construction of a nucleoside scaffold from non-nucleoside substrates. The cited references are grouped according to the usually recognized types of the MCRs. Biochemical properties of the novel nucleoside analogs are also presented (if provided by the authors). PMID:25161730

  8. LCoMotion - Learning, Cognition and Motion; a multicomponent cluster randomized school-based intervention aimed at increasing learning and cognition - rationale, design and methods.

    Science.gov (United States)

    Bugge, Anna; Tarp, Jakob; Østergaard, Lars; Domazet, Sidsel Louise; Andersen, Lars Bo; Froberg, Karsten

    2014-09-18

    The aim of the study; LCoMotion - Learning, Cognition and Motion was to develop, document, and evaluate a multi-component physical activity (PA) intervention in public schools in Denmark. The primary outcome was cognitive function. Secondary outcomes were academic skills, body composition, aerobic fitness and PA. The primary aim of the present paper was to describe the rationale, design and methods of the LCoMotion study. LCoMotion was designed as a cluster-randomized controlled study. Fourteen schools from all five regions in Denmark participated. All students from 6th and 7th grades were invited to participate (n = 869) and consent was obtained for 87% (n = 759). Baseline measurements were obtained in November/December 2013 and follow-up measurements in May/June 2014. The intervention lasted five months and consisted of a "package" of three main components: PA during academic lessons, PA during recess and PA homework. Furthermore a cycling campaign was conducted during the intervention period. Intervention schools should endeavor to ensure that students were physically active for at least 60 min every school day. Cognitive function was measured by a modified Eriksen flanker task and academic skills by a custom made mathematics test. PA was objectively measured by accelerometers (ActiGraph, GT3X and GT3X+) and aerobic fitness assessed by an intermittent shuttle-run test (the Andersen intermittent running test). Furthermore, compliance with the intervention was assessed by short message service (SMS)-tracking and questionnaires were delivered to students, parents and teachers. LCoMotion has ability to provide new insights on the effectiveness of a multicomponent intervention on cognitive function and academic skills in 6th and 7th grade students. Clinicaltrials.gov: NCT02012881 (10/10/2013).

  9. Impact of laser anneal on NiPt silicide texture and chemical composition

    Energy Technology Data Exchange (ETDEWEB)

    Feautrier, C.; Ozcan, A. S.; Lavoie, C.; Valery, A.; Beneyton, R.; Borowiak, C.; Clément, L.; Pofelski, A.; Salem, B.

    2017-06-14

    We have combined synchrotron X-ray pole figure measurements and transmission electron microscopy (TEM) nano-beam diffraction to study the impact of millisecond laser anneal on the texture and microstructure of NiPt silicide thin films. The powerful use of nano-beam diffraction in plan-view geometry allows here for both a mapping of grain orientation and intra-grain measurements even if these crystalline grains become very small. With this unique combination of local and large-scale probes, we find that silicide formation on n and p doped substrates using laser annealing results in smaller grains compared with the films processed using standard rapid thermal annealing. The laser annealed samples also result in grains that are more epitaxially oriented with respect to the Si substrate. For n-type substrate, the film is dominated by (020) and (013) oriented fibers with significant levels of intra-grain bending (transrotation) observed in both types of grains. For p-type substrates, mostly epitaxially aligned grains are detected. TEM coupled with energy-dispersive X-ray analysis was also used to study the elemental distribution in the silicide samples. Here, we confirm that laser anneal leads to a larger accumulation of platinum at the silicide-substrate interface and modifies the distribution of dopants throughout the film.

  10. Role of Ti3Al/silicides on tensile properties of Timetal 834 at various ...

    Indian Academy of Sciences (India)

    Extremely fine coherent precipitates of ordered Ti3Al and relatively coarse incoherent precipitates of 2 silicide exist together in the near -titanium alloy, Timetal 834, in the dual phase matrix of primary and transformed . In order to assess the role of these precipitates, three heat treatments viz. WQ, WQ–A and WQ–OA, ...

  11. Effect of pre-treatment and nickel layer thickness on nickel silicide/silicon carbide contact

    Science.gov (United States)

    Cao, Yu; Nyborg, Lars; Jelvestam, Urban; Yi, Danqing

    2005-03-01

    This investigation deals with the impact of pre-treatment and Ni thickness on the reactions of Ni-silicide/SiC contact fabrication. The specimens have been prepared by sputter depositing 3-100 nm Ni layer on 4H-SiC wafer followed by annealing at 800 °C in vacuum for 20 min. The results by means of XPS show as follows: among the chemical cleaning procedures which have been tested, the recipe NH4OH:H2O2:H2O = 1:1:5, 85 °C, 5 min; HF 10%, 80 °C, 2 min; boiling water 10 min is the most effective for SiC substrates. However, due to short time exposure in the air before experiment, certain contamination re-occurs. After annealing, the dominant silicide formed is Ni2Si, whereas C on the surface is graphite. Argon ion etching before the Ni deposition helps the formation of multi-layer structure. For the samples without pre-treatment or with chemical cleaning procedure, there is more C agglomerated at the surface and no multi-layer structure formed. Under the action of Ar ion etching, SiC decomposes more quickly and Ni diffuses faster. This effect together with limited C diffusivity in the formed silicide is a probable reason for the formation of the multi-layer structure. The silicides formed at the interface are dependent on the Ni layer thickness and substrate surface condition.

  12. Waste Photovoltaic Panels for Ultrapure Silicon and Hydrogen through the Low-Temperature Magnesium Silicide.

    Czech Academy of Sciences Publication Activity Database

    Dytrych, Pavel; Bumba, Jakub; Kaštánek, František; Fajgar, Radek; Koštejn, Martin; Šolcová, Olga

    2017-01-01

    Roč. 56, č. 45 (2017), s. 12863-12869 ISSN 0888-5885 R&D Projects: GA ČR GA15-14228S Institutional support: RVO:67985858 Keywords : magnesium silicide * waste photovoltaic panels * ultrapure silicon Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.843, year: 2016

  13. High pressure studies on uranium and thorium silicide compounds: Experiment and theory

    DEFF Research Database (Denmark)

    Yagoubi, S.; Heathman, S.; Svane, A.

    2013-01-01

    The actinide silicides ThSi, USi and USi2 have been studied under high pressure using both theory and experiment. High pressure synchrotron X-ray diffraction experiments were performed on polycrystalline samples in diamond anvil cells at room temperature and for pressures up to 54, 52 and 26 GPa,...

  14. The development of titanium silicide - boron doped polysilicon resistive temperature sensors

    NARCIS (Netherlands)

    Vereshchagina, E.; Vereshchagina, E.; Wolters, Robertus A.M.; Gardeniers, Johannes G.E.

    2011-01-01

    Thin films of titanium silicide (TiSi2) formed on heavily boron-doped polycrystalline silicon (poly-Si/B+) were applied for the first time for resistive temperature sensing. The temperature sensors exhibited a high-temperature coefficient of resistance of 3.8 × 10−3 ◦C−1, a linear dependence of

  15. Cross-Bridge Kelvin Resistor (CBKR) structures for silicide-semiconductor junctions characterization

    NARCIS (Netherlands)

    Stavitski, N.; van Dal, M.J.H.; Klootwijk, J.H.; Wolters, Robertus A.M.; Kovalgin, Alexeij Y.; Schmitz, Jurriaan

    2006-01-01

    Analyzing the contact geometry factors for the conventional CBKR structures, it appeared that the contact geometries conventionally used for the metal-to-silicide contact resistance measurements were not always satisfactory to reveal the specific contact resistance values. To investigate these

  16. Role of Ti3Al/silicides on tensile properties of Timetal 834 at various ...

    Indian Academy of Sciences (India)

    WINTEC

    conditions. Tensile properties in the above three heat treated conditions were determined at room tempera- ture, 673 K and 873 K. It was observed that largely Ti3Al precipitates were responsible for increase in the yield strength and decrease in ductility in this alloy. Keywords. Near α-titanium alloy; Timetal 834; Ti3Al/silicide ...

  17. Multicomponent chemistry in the synthesis of carbonic anhydrase inhibitors.

    Science.gov (United States)

    Kalinin, Stanislav; Supuran, Claudiu T; Krasavin, Mikhail

    2016-01-01

    Carbonic anhydrase inhibitors (CAIs) are of growing interest since various isoforms of the enzyme are identified as promising drug targets for treatment of disease. The principal drawback of the clinically used CAIs is the lack of isoform selectivity, which may lead to observable side effects. Studies aiming at the design of isoform-selective CAIs entail generation and biological testing of arrays of compounds, which is a resource- and time-consuming process. Employment of multicomponent reactions is an efficient synthetic strategy in terms of gaining convenient and speedy access to a range of scaffolds with a high degree of molecular diversity. However, this powerful tool appears to be underutilized for the discovery of novel CAIs. A number of studies employing multicomponent reactions in CAI synthesis have been reported in literature. Some of these reports provide inspiring examples of successful use of multicomponent chemistry to construct novel potent and often isoform-selective inhibitors. On critical reading of several publications, however, it becomes apparent that for some chemical series designed as CAIs, the desired inhibitory properties are only assumed and never tested for. In these cases, the biological profile is reported based on the results of phenotypical cellular assays, with no correlation with the intended on-target activity. Present review aims at critically assessing the current literature on the multicomponent chemistry in the CAI design.

  18. Cascade multicomponent synthesis of indoles, pyrazoles, and pyridazinones by functionalization of alkenes.

    Science.gov (United States)

    Matcha, Kiran; Antonchick, Andrey P

    2014-10-27

    The development of multicomponent reactions for indole synthesis is demanding and has hardly been explored. The present study describes the development of a novel multicomponent, cascade approach for indole synthesis. Various substituted indole derivatives were obtained from simple reagents, such as unfunctionalized alkenes, diazonium salts, and sodium triflinate, by using an established straightforward and regioselective method. The method is based on the radical trifluoromethylation of alkenes as an entry into Fischer indole synthesis. Besides indole synthesis, the application of the multicomponent cascade reaction to the synthesis of pyrazoles and pyridazinones is described. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Shape modification of Si nanowires by using faceted silicide catalysts nucleated in Au-Si catalyst solution during the growth

    Directory of Open Access Journals (Sweden)

    Erchao Meng

    2013-09-01

    Full Text Available The shape modification of Si nanowires is demonstrated using faceted solid silicide catalysts. The Si nanowires were grown on Si(111 substrates covered with Au as a catalyst using MnCl2 and Si powders as source materials. The solid silicide catalysts were nucleated and formed in the Au-Si catalyst solution at the top of the nanowires during the growth. The faceted solid silicides grew larger with increased growth time and played a role as a solid catalyst. The faceted shape of the catalyst defines the shape of the faceted Si nanowire. The squared Si nanowires were grown with the growth direction of Si[111] and the sidewalls of {110} and {211} planes. The growth evolution of the faceted Si nanowires occurs by a vapor-liquid-solid mechanism followed by the silicide vapor-solid-solid mechanism.

  20. Multicomponent diffusivities from the free volume theory

    NARCIS (Netherlands)

    Wesselingh, J.A; Bollen, A.M

    In this paper the free volume theory of diffusion is extended to multicomponent mixtures. The free volume is taken to be accessible for any component according to its surface. fraction. The resulting equations predict multicomponent (Maxwell-Stefan) diffusivities in simple liquid mixtures from pure

  1. A Multicomponent Latent Trait Model for Diagnosis

    Science.gov (United States)

    Embretson, Susan E.; Yang, Xiangdong

    2013-01-01

    This paper presents a noncompensatory latent trait model, the multicomponent latent trait model for diagnosis (MLTM-D), for cognitive diagnosis. In MLTM-D, a hierarchical relationship between components and attributes is specified to be applicable to permit diagnosis at two levels. MLTM-D is a generalization of the multicomponent latent trait…

  2. Rate Theory Modeling and Simulation of Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Ye, Bei [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Hofman, Gerard [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Gamble, Kyle [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation; Mei, Zhi-Gang [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division

    2016-08-29

    As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U3Si2) at LWR conditions needs to be well understood. In this report, rate theory model was developed based on existing experimental data and density functional theory (DFT) calculations so as to predict the fission gas behavior in U3Si2 at LWR conditions. The fission gas behavior of U3Si2 can be divided into three temperature regimes. During steady-state operation, the majority of the fission gas stays in intragranular bubbles, whereas the dominance of intergranular bubbles and fission gas release only occurs beyond 1000 K. The steady-state rate theory model was also used as reference to establish a gaseous swelling correlation of U3Si2 for the BISON code. Meanwhile, the overpressurized bubble model was also developed so that the fission gas behavior at LOCA can be simulated. LOCA simulation showed that intragranular bubbles are still dominant after a 70 second LOCA, resulting in a controllable gaseous swelling. The fission gas behavior of U3Si2 at LWR conditions is benign according to the rate theory prediction at both steady-state and LOCA conditions, which provides important references to the qualification of U3Si2 as a LWR fuel material with excellent fuel performance and enhanced accident tolerance.

  3. Investigation of Multicomponent Lead-Free Solders

    Directory of Open Access Journals (Sweden)

    Gyenes A.

    2017-06-01

    Full Text Available According to the directives (RoHS and WEEE adopted by the European Union, lead has been banned from the manufacturing processes because of its health and environmental hazards. Therefore, the development of lead-free solders is one of the most important research areas of the electronic industry. This paper investigates multicomponent Sn-Ag-Cu based lead-free solders with different compositions. The properties of the six-component Innolot (SAC+BiSbNi and two low-Ag containing alloys were compared with the widespread used SAC307 solder. Microstructure investigations and X-ray diffraction measurements were performed to analyze and identify the formed phases, furthermore, tensile tests and microhardness measurements were executed to determine the mechanical properties of the examined solders.

  4. Timing of pathogen adaptation to a multicomponent treatment.

    Directory of Open Access Journals (Sweden)

    Romain Bourget

    Full Text Available The sustainable use of multicomponent treatments such as combination therapies, combination vaccines/chemicals, and plants carrying multigenic resistance requires an understanding of how their population-wide deployment affects the speed of the pathogen adaptation. Here, we develop a stochastic model describing the emergence of a mutant pathogen and its dynamics in a heterogeneous host population split into various types by the management strategy. Based on a multi-type Markov birth and death process, the model can be used to provide a basic understanding of how the life-cycle parameters of the pathogen population, and the controllable parameters of a management strategy affect the speed at which a pathogen adapts to a multicomponent treatment. Our results reveal the importance of coupling stochastic mutation and migration processes, and illustrate how their stochasticity can alter our view of the principles of managing pathogen adaptive dynamics at the population level. In particular, we identify the growth and migration rates that allow pathogens to adapt to a multicomponent treatment even if it is deployed on only small proportions of the host. In contrast to the accepted view, our model suggests that treatment durability should not systematically be identified with mutation cost. We show also that associating a multicomponent treatment with defeated monocomponent treatments can be more durable than associating it with intermediate treatments including only some of the components. We conclude that the explicit modelling of stochastic processes underlying evolutionary dynamics could help to elucidate the principles of the sustainable use of multicomponent treatments in population-wide management strategies intended to impede the evolution of harmful populations.

  5. Timing of pathogen adaptation to a multicomponent treatment.

    Science.gov (United States)

    Bourget, Romain; Chaumont, Loïc; Sapoukhina, Natalia

    2013-01-01

    The sustainable use of multicomponent treatments such as combination therapies, combination vaccines/chemicals, and plants carrying multigenic resistance requires an understanding of how their population-wide deployment affects the speed of the pathogen adaptation. Here, we develop a stochastic model describing the emergence of a mutant pathogen and its dynamics in a heterogeneous host population split into various types by the management strategy. Based on a multi-type Markov birth and death process, the model can be used to provide a basic understanding of how the life-cycle parameters of the pathogen population, and the controllable parameters of a management strategy affect the speed at which a pathogen adapts to a multicomponent treatment. Our results reveal the importance of coupling stochastic mutation and migration processes, and illustrate how their stochasticity can alter our view of the principles of managing pathogen adaptive dynamics at the population level. In particular, we identify the growth and migration rates that allow pathogens to adapt to a multicomponent treatment even if it is deployed on only small proportions of the host. In contrast to the accepted view, our model suggests that treatment durability should not systematically be identified with mutation cost. We show also that associating a multicomponent treatment with defeated monocomponent treatments can be more durable than associating it with intermediate treatments including only some of the components. We conclude that the explicit modelling of stochastic processes underlying evolutionary dynamics could help to elucidate the principles of the sustainable use of multicomponent treatments in population-wide management strategies intended to impede the evolution of harmful populations.

  6. Synthesis of nano-patterned and Nickel Silicide embedded amorphous Si thin layer by ion implantation for higher efficiency solar devices

    Science.gov (United States)

    Bhowmik, D.; Bhattacharjee, S.; Lavanyakumar, D.; Naik, V.; Satpati, B.; Karmakar, P.

    2017-11-01

    We report the ion beam based single step synthesis process of surface-patterned amorphous Silicon (a-Si) with a buried plasmon active nickel silicide layer for the realization of cost-effective, higher efficiency Silicon (Si) photovoltaic devices. Simultaneous amorphization, surface pattern formation and buried layer development are achieved by normal incidence 10 keV Ni1+ ion bombardment on Si(100) surface at a fluence of 1 × 1017. Atomic Force Microscopy study shows rim-surrounded crater like periodic nanostructure on the surface whereas cross-sectional Transmission Electron Microscopy detects the amorphization and implant buried layer just below the surface. The distribution of implanted Ni ions and Si vacancies, obtained by the Monte Carlo simulation (SRIM) is consistent with the experimental results. Spatially resolved Electron Energy Loss Spectroscopy measurement detects that the buried layer is nickel silicide. The potential application of such nano-patterned and plasmon active system for future low-cost a-Si based higher efficient Photovoltaic devices is discussed.

  7. The Role of Si and Cu Alloying Elements on the Dendritic Growth and Microhardness in Horizontally Solidified Binary and Multicomponent Aluminum-Based Alloys

    Science.gov (United States)

    Araújo, Eugênio C.; Barros, André S.; Kikuchi, Rafael H.; Silva, Adrina P.; Gonçalves, Fernando A.; Moreira, Antonio L.; Rocha, Otávio L.

    2017-03-01

    Horizontal directional solidification (HDS) experiments were carried out with Al-3wtpctCu, Al-3wtpctSi, and Al- 3wtpctCu-5.5wtpctSi alloys in order to analyze the interrelation between the secondary dendrite arm spacing ( λ 2) and microhardness (HV). A water-cooled horizontal directional solidification device was applied. Microstructural characterization has been carried out using traditional techniques of metallography, optical, and SEM microscopy. The ThermoCalc software was used to generate the phase equilibrium diagrams as a function of Cu and Si for the analyzed alloys. The effects of Si and Cu elements on the λ 2 and HV evolution of the hypoeutectic binary Al-Cu and Al-Si alloys have been analyzed as well as the addition of Si in the formation of ternary Al-Cu-Si alloy. The secondary dendrite arm spacing was correlated with local solidification thermal parameters such as growth rate ( V L), cooling rate ( T R), and local solidification time ( t SL). This has allowed to observe that power experimental functions given by λ 2 = Constant ( V L)-2/3, λ 2 = Constant ( T R)-1/3 and λ 2 = Constant ( t SL)1/3 may represent growth laws of λ 2 with corresponding thermal parameters for investigated alloys. Hall-Petch equations have also been used to characterize the dependence of HV with λ 2. A comparative analysis is performed between λ 2 experimental values obtained in this study for Al-3wtpctCu-5.5wtpctSi alloy and the only theoretical model from the literature that has been proposed to predict the λ 2 growth in multicomponent alloys. Comparisons with literature results for upward directional solidification were also performed.

  8. The effects of Ta on the formation of Ni-silicide in Ni{sub 0.95x}Ta{sub x0.05}/Si systems

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Dongwon [Department of Ceramic Engineering, Yonsei University, Seoul (Korea, Republic of); Do, Kihoon [Department of Ceramic Engineering, Yonsei University, Seoul (Korea, Republic of); Ko, Dae-Hong [Department of Ceramic Engineering, Yonsei University, Seoul (Korea, Republic of)]. E-mail: polymetal@empal.com; Choi, Siyoung [Process Development Team, Semiconductor R and D Division, Samsung Electronics Ltd. (Korea, Republic of); Ku, Ja-Hum [Process Development Team, Semiconductor R and D Division, Samsung Electronics Ltd. (Korea, Republic of); Yang, Cheol-Woong [School of Metallurgical and Materials Engineering, Sungkyunkwan University Suwon (Korea, Republic of)

    2004-12-15

    We investigated a comparative study on the silicide formation in the Ni{sub 0.95}Ta{sub 0.05}/Si alloy systems and Ni/Si systems. Ni and Ni{sub 0.95}Ta{sub 0.05} films were deposited on Si(1 0 0) substrate by DC magnetron sputtering and processed at various silicidation temperatures. The sheet resistance of the silicide from the Ni{sub 0.95}Ta{sub 0.05}/Si alloy systems was obtained at lower values than those in pure Ni/Si systems at any temperature. Using RBS and TEM analyses, we confirmed the presence of a Ta rich layer at the top of the Ni-silicide layer and the presence of small amounts of Ta in the silicide layer. The stability of the silicide layer for the Ni{sub 0.95}Ta{sub 0.05} systems is explained by the presence of the Ta rich layer on top of the Ni-silicide layer, as well as by the presence of the small amount of Ta in the Ni-silicide layer. The Ni-silicide using Ni{sub 0.95}Ta{sub 0.05}/Si system displayed a stable sheet resistance value of {approx}5 {omega}/sq which was maintained during the anneal process at 600 deg. C.

  9. Study of optical and luminescence properties of silicon — semiconducting silicide — silicon multilayer nanostructures

    Directory of Open Access Journals (Sweden)

    Galkin N.G.

    2017-01-01

    Full Text Available By method of in situ differential spectroscopy it was established that at the formation of monolayer Fe, Cr, Ca, Mg silicide and Mg stannide islands on the atomically clean silicon surface an appearance of loss peaks characteristic for these materials in the energy range of 1.1-2.6 eV is observed. An optimization of growth processes permit to grow monolithic double nanoheterostructures (DNHS with embedded Fe, Cr and Ca nanocrystals, and also polycrystalline DNHS with NC of Mg silicide and Mg stannide and Ca disilicide. By methods of optical spectroscopy and Raman spectroscopy it was shown that embedded NC form intensive peaks in the reflectance spectra at energies up to 2.5 eV and Raman peaks. In DNS with β-FeSi2 NC a photoluminescence and electroluminescence at room temperature were firstly observed.

  10. Development of a fused slurry silicide coating for the protection of tantalum alloys

    Science.gov (United States)

    Packer, C. M.; Perkins, R. A.

    1974-01-01

    Results are reported of a research program to develop a reliable high-performance, fused slurry silicide protective coating for a tantalum-10 tungsten alloy for use at 1427 to 1538 C at 0.1 to 10 torr air pressure under cyclic temperature conditions. A review of silicide coating performance under these conditions indicated that the primary wear-out mode is associated with widening of hairline fissures in the coating. Consideration has been given to modifying the oxidation products that form on the coating surface to provide a seal for these fissures and to minimize their widening. On the basis of an analysis of the phase relationships between silica and various other oxides, a coating having the slurry composition 2.5Mn-33Ti-64.5Si was developed that is effective in the pressure range from 1 to 10 torr.

  11. Effect of Saturation Pressure Difference on Metal–Silicide Nanopowder Formation in Thermal Plasma Fabrication

    Directory of Open Access Journals (Sweden)

    Masaya Shigeta

    2016-03-01

    Full Text Available A computational investigation using a unique model and a solution algorithm was conducted, changing only the saturation pressure of one material artificially during nanopowder formation in thermal plasma fabrication, to highlight the effects of the saturation pressure difference between a metal and silicon. The model can not only express any profile of particle size–composition distribution for a metal–silicide nanopowder even with widely ranging sizes from sub-nanometers to a few hundred nanometers, but it can also simulate the entire growth process involving binary homogeneous nucleation, binary heterogeneous co-condensation, and coagulation among nanoparticles with different compositions. Greater differences in saturation pressures cause a greater time lag for co-condensation of two material vapors during the collective growth of the metal–silicide nanopowder. The greater time lag for co-condensation results in a wider range of composition of the mature nanopowder.

  12. Leakage current and deep levels in CoSi{sub 2} silicided junctions

    Energy Technology Data Exchange (ETDEWEB)

    Codegoni, D. [ST Microelectronics Via Olivetti 2, 20041 Agrate Brianza, Milan (Italy); Carnevale, G.P. [ST Microelectronics Via Olivetti 2, 20041 Agrate Brianza, Milan (Italy); De Marco, C. [ST Microelectronics Via Olivetti 2, 20041 Agrate Brianza, Milan (Italy); Mica, I. [ST Microelectronics Via Olivetti 2, 20041 Agrate Brianza, Milan (Italy); Polignano, M.L. [ST Microelectronics Via Olivetti 2, 20041 Agrate Brianza, Milan (Italy)]. E-mail: marialuisa.polignano@st.com

    2005-12-05

    In this work the leakage current of junctions with a self-aligned cobalt silicide is studied. It is shown that junctions with a self-aligned CoSi{sub 2} layer show a leakage current excess which is strongly reduced by increasing the PAI energy. This indicates that the observed leakage current excess is related to the CoSi{sub 2} formation conditions. The mechanism responsible for the leakage of CoSi{sub 2} junctions is investigated by current versus temperature measurements and by deep level transient spectroscopy. In addition, the role of the mechanical stress is investigated by comparing different isolation structures and by numerical stress calculations. It is concluded that the shallow trench isolation (STI) induced stress and the cobalt silicide formation concur to produce a junction leakage current increase by creating a deep level in silicon located close to midgap. This level can possibly identified with a level ascribed to a point defect excess.

  13. Particle Lithography Enables Fabrication of Multicomponent Nanostructures

    Science.gov (United States)

    Lin, Wei-feng; Swartz, Logan A.; Li, Jie-Ren; Liu, Yang; Liu, Gang-yu

    2014-01-01

    Multicomponent nanostructures with individual geometries have attracted much attention because of their potential to carry out multiple functions synergistically. The current work reports a simple method using particle lithography to fabricate multicomponent nanostructures of metals, proteins, and organosiloxane molecules, each with its own geometry. Particle lithography is well-known for its capability to produce arrays of triangular-shaped nanostructures with novel optical properties. This paper extends the capability of particle lithography by combining a particle template in conjunction with surface chemistry to produce multicomponent nanostructures. The advantages and limitations of this approach will also be addressed. PMID:24707328

  14. Effectiveness of a 16-month multi-component and environmental school-based intervention for recovery of poor income overweight/obese children and adolescents: study protocol of the health multipliers program.

    Science.gov (United States)

    Patriota, Pollyanna Fernandes; Filgueiras, Andrea Rocha; de Almeida, Viviane Belucci Pires; Alexmovitz, Guilherme Aparecido Costa; da Silva, Carlos Eduardo; de Carvalho, Vivian Fortuna Feres; Carvalho, Natália; de Albuquerque, Maria Paula; Domene, Semiramis Martins Alvares; do Prado, Wagner Luiz; Torres, Gustavo Enrique Salazar; de Oliveira, Ana Paula Reis; Sesso, Ricardo; Sawaya, Ana Lydia

    2017-09-15

    Excess of weight is a serious public health concern in almost all countries, afflicting people of different ages and socioeconomic backgrounds. Studies have indicated the need for developing treatment strategies that intervene directly in the obesogenic environment. This study aims to evaluate the effectiveness of a multi-component and environmental school-based intervention, lasting 16 months, on the recovery of the nutritional status of low-income children and adolescents with overweight/ obesity. The study was conducted by the Center for Recovery and Nutritional Education (CREN) in São Paulo, Brazil. Two schools located in poor neighborhoods were selected for the intervention, between March 2016 and June 2017. The participants were all students aged 8 to 12 years from the two participating schools. At the beginning of the intervention, anthropometric measurements were carried out to assess the nutritional status of the students. For convenience, students from one of the schools were considered as the control group, while those from the other school formed the experimental group. The intervention in the experimental group (n = 438) consists of the following weekly activities at school: psychological counseling in groups, theoretical/practical nutrition workshops, and supervised physical education classes. In addition, theoretical and practical educational activities are held regularly for parents, teachers, and cooks. Students with excess of weight (≥1 body mass index [BMI] -for-age Z score, n = 138) received clinical and nutritional care periodically at the outpatient care at CREN. Students enrolled in the control group (n = 353) participated in psychological counseling groups and theoretical/practical nutrition workshops for 6 months held in the school environment to provide motivation to entire classrooms. In the following 10 months, students with excess of weight from the control group (n = 125) were invited to attend the routine outpatient

  15. Effectiveness of a 16-month multi-component and environmental school-based intervention for recovery of poor income overweight/obese children and adolescents: study protocol of the health multipliers program

    Directory of Open Access Journals (Sweden)

    Pollyanna Fernandes Patriota

    2017-09-01

    Full Text Available Abstract Background Excess of weight is a serious public health concern in almost all countries, afflicting people of different ages and socioeconomic backgrounds. Studies have indicated the need for developing treatment strategies that intervene directly in the obesogenic environment. This study aims to evaluate the effectiveness of a multi-component and environmental school-based intervention, lasting 16 months, on the recovery of the nutritional status of low-income children and adolescents with overweight/ obesity. Methods/study design The study was conducted by the Center for Recovery and Nutritional Education (CREN in São Paulo, Brazil. Two schools located in poor neighborhoods were selected for the intervention, between March 2016 and June 2017. The participants were all students aged 8 to 12 years from the two participating schools. At the beginning of the intervention, anthropometric measurements were carried out to assess the nutritional status of the students. For convenience, students from one of the schools were considered as the control group, while those from the other school formed the experimental group. The intervention in the experimental group (n = 438 consists of the following weekly activities at school: psychological counseling in groups, theoretical/practical nutrition workshops, and supervised physical education classes. In addition, theoretical and practical educational activities are held regularly for parents, teachers, and cooks. Students with excess of weight (≥1 body mass index [BMI] –for-age Z score, n = 138 received clinical and nutritional care periodically at the outpatient care at CREN. Students enrolled in the control group (n = 353 participated in psychological counseling groups and theoretical/practical nutrition workshops for 6 months held in the school environment to provide motivation to entire classrooms. In the following 10 months, students with excess of weight from the control group (n

  16. Novel energy sharing collisions of multicomponent solitons

    Indian Academy of Sciences (India)

    1) exhibit certain novel inelastic (energy sharing) collisions [11] in contrast to single-component NLS system. Kanna et al have obtained multisoliton solu- tions for the multicomponent Manakov system (2) using the Hirota's method [15]. Thus,.

  17. Laser ultrasonic multi-component imaging

    Science.gov (United States)

    Williams, Thomas K [Federal Way, WA; Telschow, Kenneth [Des Moines, WA

    2011-01-25

    Techniques for ultrasonic determination of the interfacial relationship of multi-component systems are discussed. In implementations, a laser energy source may be used to excite a multi-component system including a first component and a second component at least in partial contact with the first component. Vibrations resulting from the excitation may be detected for correlation with a resonance pattern indicating if discontinuity exists at the interface of the first and second components.

  18. High Pressure Multicomponent Adsorption in Porous Media

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Stenby, Erling Halfdan

    1999-01-01

    We analyse adsorption of a multicomponent mixture at high pressure on the basis of the potential theory of adsorption. The adsorbate is considered as a segregated mixture in the external field produced by a solid adsorbent. we derive an analytical equation for the thickness of a multicomponent film...... close to a dew point. This equation (asymptotic adsorption equation, AAE) is a first order approximation with regard to the distance from a phase envelope....

  19. An experimental study of the influence of oxygen on silicide formation with tungsten deposited from tungsten hexafluoride

    Science.gov (United States)

    Zhang, S.-L.; Smith, U.; Buchta, R.; Östling, M.

    1991-01-01

    Tungsten disilicide (WSi2) was formed by annealing tungsten films deposited by low-pressure chemical vapor deposition on -silicon substrates. The influence of oxygen on the silicidation rate was studied. Si wafers with different oxygen content in the form of Czochralski, float-zone, and epitaxial wafers were used. Oxygen was also ion implanted into either the silicon substrate or the as-deposited tungsten film. The Rutherford backscattering technique was used to follow the progress of the silicidation. The silicidation rate was found to be dependent on the oxygen content of the Si substrates. The rate was lowest for Czochralski substrates and highest for float-zone substrates. Secondary ion mass spectroscopy was used to study the oxygen and fluorine profiles in the films prior to and after silicidation. Growth of WSi2 was found to be retarded concurrently with a pile-up of fluorine at the tungsten side of the W/WSi2 interface and a gettering of oxygen from the annealing atmosphere at the interface. Growth of WSi2 was then transferred to the tungsten surface. Oxygen implantation into silicon and tungsten, respectively, reduced the rate of silicide formation. Oxygen implantation into tungsten altered the distribution of fluorine and suppressed WSi2 growth at the tungsten surface. The observations led to a conceptual model, which ascribes the retardation in the growth of the inner WSi2 to a``poisoning'' effect caused by the increase of oxygen and fluorine levels at the interface.

  20. Multicomponent Therapeutics of Berberine Alkaloids

    Directory of Open Access Journals (Sweden)

    Jiaoyang Luo

    2013-01-01

    Full Text Available Although berberine alkaloids (BAs are reported to be with broad-spectrum antibacterial and antiviral activities, the interactions among BAs have not been elucidated. In the present study, methicillin-resistant Staphylococcus aureus (MRSA was chosen as a model organism, and modified broth microdilution was applied for the determination of the fluorescence absorption values to calculate the anti-MRSA activity of BAs. We have initiated four steps to seek the optimal combination of BAs that are (1 determining the anti-MRSA activity of single BA, (2 investigating the two-component combination to clarify the interactions among BAs by checkerboard assay, (3 investigating the multicomponent combination to determine the optimal ratio by quadratic rotation-orthogonal combination design, and (4 in vivo and in vitro validation of the optimal combination. The results showed that the interactions among BAs are related to their concentrations. The synergetic combinations included “berberine and epiberberine,” “jatrorrhizine and palmatine” and “jatrorrhizine and coptisine”; the antagonistic combinations included “coptisine and epiberberine”. The optimal combination was berberine : coptisine : jatrorrhizine : palmatine : epiberberine = 0.702 : 0.863 : 1 : 0.491 : 0.526, and the potency of the optimal combination on cyclophosphamide-immunocompromised mouse model was better than the natural combinations of herbs containing BAs.

  1. Exergy Rate Profile of Multicomponent Distillation System

    Directory of Open Access Journals (Sweden)

    Kehinde Adewale Adesina

    2016-07-01

    Full Text Available Exergy rate profiles, exergetic efficiency and irreversibility were used to examine the driving forces in multicomponent distillation system with the view to identifying feasible and efficient operating parameters. The mixture used comprised of 5% propane, 15% iso-butane, 25% nbutane, 20% iso-pentane and 35% n-pentane. Operating variables were feed temperature (-30 oC and -80 oC, pressure (800 kPa and 1200 kPa, and reflux-ratio (2 and 6. Stage-by-stage system exergy analysis was estimated. Column profiles of base case -30 oC, -80 oC, -30 oC-reflus ratio 6, -80 oC reflux ratio 6 and base case reflux ratio 6 did not crossed thus are thermodynamically feasible. Base case -30 oC-reflux ratio 2, -80 oC-reflux ratio 2, and base case-reflux ratio 2 were crossed and constricted and are infeasible. Base case results gave efficiency of 81.7% at depropanizer and 65.2% at debutanizer. Base cases sensitivity results with -30 oC, -80 oC and reflux ratio 6, efficiency range 57.40 – 70% and 65.20% - 54.90% for depropanizer and debutanizer respectively. Spitted cases gave 81.7% and 62.20% with more scatter profiles. Splitted feed base case -30 oC design gave the lowest overall system exergy loss rate of 1.12E+6 and efficiency of 95.70%. Design feasible parameters, system efficiency and irreversibility which form basis

  2. Probing Transition-Metal Silicides as PGM-Free Catalysts for Hydrogen Oxidation and Evolution in Acidic Medium

    Science.gov (United States)

    Mittermeier, Thomas; Madkikar, Pankaj; Wang, Xiaodong; Gasteiger, Hubert A.; Piana, Michele

    2017-01-01

    In this experimental study, we investigate various transition-metal silicides as platinum-group-metal-(PGM)-free electrocatalysts for the hydrogen oxidation reaction (HOR), and for the hydrogen evolution reaction (HER) in acidic environment for the first time. Using cyclic voltammetry in 0.1 M HClO4, we first demonstrate that the tested materials exhibit sufficient stability against dissolution in the relevant potential window. Further, we determine the HOR and HER activities for Mo, W, Ta, Ni and Mo-Ni silicides in rotating disk electrode experiments. In conclusion, for the HOR only Ni2Si shows limited activity, and the HER activity of the investigated silicides is considerably lower compared to other PGM-free HER catalysts reported in the literature. PMID:28773022

  3. Effect of deposition conditions on the structure, phase composition and electrical properties of the chromium silicide films

    Energy Technology Data Exchange (ETDEWEB)

    Trofimov, V I [Institute of Radioengineering and Electronics, 11/7 Mokhovaya Str., 125009 Moscow (Russian Federation); Kim, J [CN-Regional Innovation Agency, 244-19 Songgok-ri, Asan City, 336-813 (Korea, Republic of); Bae, S [University of Incheon, 177 Dohwa-Dong, Incheon City, 402-749 (Korea, Republic of)], E-mail: trof@mail.cplire.ru

    2008-03-15

    Thin chromium silicide films with thickness up to 20 nm were deposited by flash evaporation of CrSi{sub 2} powder onto silica glass and (100) KCl substrates at temperatures from 20 to 550{sup 0}C and analyzed by electrical resistance measurements and transmission electron microscopy. The film phase composition depends crucially on deposition procedure: if a CrSi{sub 2} powder was thermally treated just prior deposition, CrSi{sub 2} film grows otherwise Cr{sub 3}Si film is formed. Under deposition onto unheated substrate an amorphous film grows. A crystalline phase appears at {approx}280 deg. C for CrSi{sub 2} and 250 deg. C for Cr{sub 3}Si and furtheron its fraction increases. The CrSi{sub 2} film consists of densely packed crystallites, whereas Cr{sub 3}Si film structure resembles a network of fine crystallites imbedded into amorphous silicon-based matrix. The resistivity of CrSi{sub 2} film grows with substrate temperature, whereas that of Cr{sub 3}Si film reduces. The observed resistivity - film thickness dependence is well described by the Fuchs-Sondheimer model for CrSi{sub 2} films and Mayadas-Shatzkes model for Cr{sub 3}Si films, since in the formers the crystallites size is larger than a film thickness, whereas in the latter's it is less than a film thickness.

  4. Effect of deposition conditions on the structure, phase composition and electrical properties of the chromium silicide films

    Science.gov (United States)

    Trofimov, V. I.; Kim, J.; Bae, S.

    2008-03-01

    Thin chromium silicide films with thickness up to 20 nm were deposited by flash evaporation of CrSi2 powder onto silica glass and (100) KCl substrates at temperatures from 20 to 550°C and analyzed by electrical resistance measurements and transmission electron microscopy. The film phase composition depends crucially on deposition procedure: if a CrSi2 powder was thermally treated just prior deposition, CrSi2 film grows otherwise Cr3Si film is formed. Under deposition onto unheated substrate an amorphous film grows. A crystalline phase appears at ~280°C for CrSi2 and 250°C for Cr3Si and furtheron its fraction increases. The CrSi2 film consists of densely packed crystallites, whereas Cr3Si film structure resembles a network of fine crystallites imbedded into amorphous silicon-based matrix. The resistivity of CrSi2 film grows with substrate temperature, whereas that of Cr3Si film reduces. The observed resistivity - film thickness dependence is well described by the Fuchs-Sondheimer model for CrSi2 films and Mayadas-Shatzkes model for Cr3Si films, since in the formers the crystallites size is larger than a film thickness, whereas in the latter's it is less than a film thickness.

  5. Nonstoichiometric nucleation and growth of multicomponent nanocrystals in solution.

    Science.gov (United States)

    Min, Yuho; Kwak, Junghyeok; Soon, Aloysius; Jeong, Unyong

    2014-10-21

    The ability to assemble nanoscale functional building blocks is a useful and modular way for scientists to design valuable materials with specific physical and chemical properties. Chemists expect multicomponent, heterostructured nanocrystals to show unique electrical, thermal, and optical properties not seen in homogeneous, single-phase nanocrystals. Although researchers have made remarkable advances in heterogeneous nucleation and growth, design of synthetic conditions for obtaining nanocrystals with a target composition and shape is still a big challenge. There are several outstanding issues that chemists need to address before they can successfully carry out the design-based synthesis of multicomponent nanocrystals. For instance, small changes in the reaction parameters, such as the precursor, solvent, surfactant, reducing agent, and the reaction temperature, often result in changes in the structure and chemical composition of the final product. Although scientists do not fully understand the mechanisms underlying the nucleation and growth processes involved in the synthesis of these multicomponent nanocrystals, recent progress in understanding of the thermodynamic and kinetic factors have improved our control over their final structure and chemical composition. In this Account, we summarize our recent advances in understanding of the nucleation and growth mechanisms involved in the solution-based synthesis of multicomponent nanocrystals. We also discuss the various challenges encountered in their synthesis, emphasizing what still needs special consideration. We first discuss the three different nucleation paths from a thermodynamics perspective: amorphous nucleation, crystalline nucleation, and two-step nucleation. Amorphous nucleation and two-step nucleation involve the generation of nonstoichiometric nuclei. We initiate this process mainly by introducing an imbalance in the concentrations of the reduced elements. When the nonstoichiometric nuclei grow, we

  6. Intercalation synthesis of graphene-capped iron silicide atop Ni(111): Evolution of electronic structure and ferromagnetic ordering

    Energy Technology Data Exchange (ETDEWEB)

    Grebenyuk, G.S. [Ioffe Institute, Russian Academy of Sciences, 194021 St. Petersburg (Russian Federation); Vilkov, O.Yu.; Rybkin, A.G. [St. Petersburg State University, 199034 St. Petersburg (Russian Federation); Gomoyunova, M.V. [Ioffe Institute, Russian Academy of Sciences, 194021 St. Petersburg (Russian Federation); Senkovskiy, B.V. [St. Petersburg State University, 199034 St. Petersburg (Russian Federation); II. Physikalisches Institut, Universität zu Köln, D-50937 Cologne (Germany); Usachov, D.Yu. [St. Petersburg State University, 199034 St. Petersburg (Russian Federation); Vyalikh, D.V. [St. Petersburg State University, 199034 St. Petersburg (Russian Federation); Institute of Solid State Physics, Dresden University of Technology, 01062 Dresden (Germany); Molodtsov, S.L. [European XFEL GmbH, 22761 Hamburg (Germany); Institute of Experimental Physics, Technische Universität Bergakademie Freiberg, 09599 Freiberg (Germany); ITMO University, 197101 St. Petersburg (Russian Federation); Pronin, I.I., E-mail: Igor.Pronin@mail.ioffe.ru [Ioffe Institute, Russian Academy of Sciences, 194021 St. Petersburg (Russian Federation); ITMO University, 197101 St. Petersburg (Russian Federation)

    2017-01-15

    Highlights: • Evolution of Graphene/Ni system due to intercalation with Fe and Si is studied. • Graphene strongly interacts with the topmost atoms of the intercalated fcc Fe film. • The in-plane ferromagnetic ordering of the film arises after intercalation of 5 ML Fe. • Fe-Si solid solution and Fe{sub 3}Si surface silicide are formed after intercalation of Si. • The capping graphene layer is weakly electronically coupled to the silicide phase. - Abstract: A new method for synthesis of graphene-protected iron silicides has been tested, which consists in formation of graphene on Ni(111) followed by two-step intercalation of the system with Fe and Si. Characterization of the samples was performed in situ by low-energy electron diffraction, angular-resolved photoelectron spectroscopy, core-level photoelectron spectroscopy with synchrotron radiation and magnetic linear dichroism in photoemission of Fe 3p electrons. It is shown, that at 400 °C the intercalation of graphene/Ni(111) with iron occurs in a range up to 14 ML. The graphene layer strongly interacts with the topmost Fe atoms and stabilizes the fcc structure of the film. The in-plane ferromagnetic ordering of the film has a threshold nature and arises after the intercalation of 5 ML Fe due to the thickness-driven spin reorientation transition. Subsequent intercalation of graphene/Fe/Ni(111) with Si leads to the formation of the inhomogeneous system consisted of intercalated and nonintercalated areas. The intercalated islands coalesce at 2 ML Si when a Fe-Si solid solution covered with the Fe{sub 3}Si surface silicide is formed. The Fe{sub 3}Si silicide is ferromagnetic and has an ordered (√3 × √3)R30° structure. The graphene layer is weakly electronically coupled to the silicide phase keeping its remarkable properties ready for use.

  7. Multicomponent liquid ion exchange with chabazite zeolites

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, S.M.; Arnold, W.D. Jr.; Byers, C.W.

    1993-10-01

    In spite of the increasing commercial use of zeolites for binary and multicomponent sorption, the understanding of the basic mass-transfer processes associated with multicomponent zeolite ion-exchange systems is quite limited. This study was undertaken to evaluate Na-Ca-Mg-Cs-Sr ion exchange from an aqueous solution using a chabazite zeolite. Mass-transfer coefficients and equilibrium equations were determined from experimental batch-reactor data for single and multicomponent systems. The Langmuir isotherm was used to represent the equilibrium relationship for binary systems, and a modified Dubinin-Polyani model was used for the multicomponent systems. The experimental data indicate that diffusion through the microporous zeolite crystals is the primary diffusional resistance. Macropore diffusion also significantly contributes to the mass-transfer resistance. Various mass-transfer models were compared to the experimental data to determine mass-transfer coefficients. Effective diffusivities were obtained which accurately predicted experimental data using a variety of models. Only the model which accounts for micropore and macropore diffusion occurring in series accurately predicted multicomponent data using single-component diffusivities. Liquid and surface diffusion both contribute to macropore diffusion. Surface and micropore diffusivities were determined to be concentration dependent.

  8. A Multicomponent Animal Virus Isolated from Mosquitoes.

    Science.gov (United States)

    Ladner, Jason T; Wiley, Michael R; Beitzel, Brett; Auguste, Albert J; Dupuis, Alan P; Lindquist, Michael E; Sibley, Samuel D; Kota, Krishna P; Fetterer, David; Eastwood, Gillian; Kimmel, David; Prieto, Karla; Guzman, Hilda; Aliota, Matthew T; Reyes, Daniel; Brueggemann, Ernst E; St John, Lena; Hyeroba, David; Lauck, Michael; Friedrich, Thomas C; O'Connor, David H; Gestole, Marie C; Cazares, Lisa H; Popov, Vsevolod L; Castro-Llanos, Fanny; Kochel, Tadeusz J; Kenny, Tara; White, Bailey; Ward, Michael D; Loaiza, Jose R; Goldberg, Tony L; Weaver, Scott C; Kramer, Laura D; Tesh, Robert B; Palacios, Gustavo

    2016-09-14

    RNA viruses exhibit a variety of genome organization strategies, including multicomponent genomes in which each segment is packaged separately. Although multicomponent genomes are common among viruses infecting plants and fungi, their prevalence among those infecting animals remains unclear. We characterize a multicomponent RNA virus isolated from mosquitoes, designated Guaico Culex virus (GCXV). GCXV belongs to a diverse clade of segmented viruses (Jingmenvirus) related to the prototypically unsegmented Flaviviridae. The GCXV genome comprises five segments, each of which appears to be separately packaged. The smallest segment is not required for replication, and its presence is variable in natural infections. We also describe a variant of Jingmen tick virus, another Jingmenvirus, sequenced from a Ugandan red colobus monkey, thus expanding the host range of this segmented and likely multicomponent virus group. Collectively, this study provides evidence for the existence of multicomponent animal viruses and their potential relevance for animal and human health. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Conscientiousness increases efficiency of multicomponent behavior.

    Science.gov (United States)

    Stock, Ann-Kathrin; Beste, Christian

    2015-10-27

    Many everyday situations require the flexible interruption and changing of different actions to achieve a goal. Several strategies can be applied to do so, but those requiring high levels of cognitive control seem to confer an efficiency (speed) advantage in situations requiring multi-component behavior. However, it is elusive in how far personality traits affect performance in such situations. Given that top-down control is an important aspect of personality and furthermore correlates with conscientiousness, N = 163 participants completed the NEO-FFI and performed an experimental (stop-change) paradigm assessing multicomponent behavior. Applying mathematical constraints to the behavioral data, we estimated the processing strategy of each individual. The results show that multicomponent behavior is selectively affected by conscientiousness which explained approximately 19% of the measured inter-individual behavioral variance. Conscientiousness should hence be seen as a major personality dimension modulating multicomponent behavior. Highly conscientious people showed a more effective, step-by-step processing strategy of different actions necessary to achieve a goal. In situations with simultaneous requirements, this strategy equipped them with an efficiency (speed) advantage towards individuals with lower conscientiousness. In sum, the results show that strategies and the efficiency with which people cope with situations requiring multicomponent behavior are strongly influenced by their personality.

  10. Formation, optical properties, and electronic structure of thin Yb silicide films on Si(111)

    Science.gov (United States)

    Galkin, N. G.; Maslov, A. M.; Polyarnyi, V. O.

    2005-06-01

    Continuous very thin (2.5-3.0 nm) and thin (16-18 nm) ytterbium suicide films with some pinhole density (3×107- 1×108 cm-2) have been formed on Si(111) by solid phase epitaxy (SPE) and reactive deposition epitaxy (RDE) growth methods on templates. The stoichiometric ytterbium suicide (YbSi2) formation has shown in SPE grown films by AES and EELS data. Very thin Yb suicide films grown by RDE method had the silicon enrichment in YbSi2 suicide composition. The analysis of LEED data and AFM imaging has shown that ytterbium suicide films had non-oriented blocks with the polycrystalline structure. The analysis of scanning region length dependencies of the root mean square roughness deviation (σR(L)) for grown suicide films has shown that the formation of ytterbium suicide in SPE and RDE growth methods is determined by the surface diffusion of Yb atoms during the three-dimensional growth process. Optical functions (n, k, α, ɛ1, ɛ2, Im ɛ1-1, neff, ɛeff) of ytterbium silicide films grown on Si(1 1 1) have been calculated from transmittance and reflectance spectra in the energy range of 0.1-6.2 eV. Two nearly discrete absorption bands have been observed in the electronic structure of Yb silicide films with different composition, which connected with interband transitions on divalent and trivalent Yb states. It was established that the reflection coefficient minimum in R-spectra at energies higher 4.2 eV corresponds to the state density minimum in Yb suicide between divalent and trivalent Yb states. It was shown from optical data that Yb silicide films have the semi-metallic properties with low state densities at energies less 0.4 eV and high state densities at 0.5-2.5 eV.

  11. In situ, real-time characterization of silicide nanostructure coarsening dynamics by photo-electron emission microscopy

    Science.gov (United States)

    Zeman, Matthew Casimir

    Photo-electron emission microscopy (PEEM) was used to observe the growth and coarsening dynamics of transition metal (TM) silicide and rare earth (RE) silicide nanostructures on silicon surfaces in real-time with high lateral resolution during in situ annealing. Evidence was obtained indicating that the coarsening of the silicide islands is strongly influenced by local variations in the size, shape, and number of nanostructures on the surface. The titanium, hafnium, and zirconium silicide nanostructures were observed to grow via Ostwald ripening and attractive migration and coalescence (AMC) at temperatures as high as ~1200°C. Ostwald ripening is a classic coarsening process in which larger nanostructures grow at the expense of smaller surrounding structures as per the Gibbs-Thompson relation. Attractive migration and coalescence is a newly discovered coarsening pathway where nearby islands are observed to migrate attractively towards each other and subsequently coalesce in response to local adatom concentration variations on the surface. A shape distortion of the normally compact and rounded TM silicide islands has been observed during these coarsening processes. The shape distortion suggests that the nanostructures are exchanging mass with each other via diffusion limited processes and these observations support the AMC model. The dysprosium and erbium silicide nanostructures exhibit a distinct faceted morphology and primarily coarsen via Ostwald ripening. The RE silicides form highly elongated nanowires and compact rectangular nanostructures on Si(001) and triangular or hexagonal structures on Si(111). We show that the wires are metastable structures which decay in favor of the larger rectangular islands at high temperatures. Additionally, the rectangular shape and faceted morphology of the RE silicide nanostructures strongly influences their coarsening dynamics. A separate PEEM study explored the thermal stability of thin films of TM oxides (TiO2, ZrO2, HfO2

  12. Current enhancement in crystalline silicon photovoltaic by low-cost nickel silicide back contact

    KAUST Repository

    Bahabry, R. R.

    2016-11-30

    We report short circuit current (Jsc) enhancement in crystalline silicon (C-Si) photovoltaic (PV) using low-cost Ohmic contact engineering by integration of Nickel mono-silicide (NiSi) for back contact metallization as an alternative to the status quo of using expensive screen printed silver (Ag). We show 2.6 mA/cm2 enhancement in the short circuit current (Jsc) and 1.2 % increment in the efficiency by improving the current collection due to the low specific contact resistance of the NiSi on the heavily Boron (B) doped Silicon (Si) interface.

  13. Evaluation of anomalies during nickel and titanium silicide formation using the effective heat of formation mode

    CSIR Research Space (South Africa)

    Pretorius, R

    1993-11-01

    Full Text Available stream_source_info pretorius_1993.pdf.txt stream_content_type text/plain stream_size 39978 Content-Encoding ISO-8859-1 stream_name pretorius_1993.pdf.txt Content-Type text/plain; charset=ISO-8859-1 Materials Chemistry... and Physics, 36 (1993) 31-38 31 Evaluation of anomalies during nickel and titanium silicide formation using the effective heat of formation model R. Pretorius, C.C. Theron IonSolid Znteraction Division, Van de H.A. Ras and T...

  14. Multicomponent equations of state for electrolytes

    DEFF Research Database (Denmark)

    Lin, Yi; Thomsen, Kaj; Hemptinne, Jean-Charles de

    2007-01-01

    Four equations of state have been implemented and evaluated for multicomponent electrolyte solutions at 298.15 K and 1 bar. The equations contain terms accounting for short-range and long-range interactions in electrolyte solutions. Short range interactions are described by one of the three...... equations of state, Peng-Robinson, Soave-Redlich-Kwong, or Cubic-Plus-Association (CPA). Long-range interactions are described by either the simplified mean spherical approximation (MSA) solution of the Ornstein-Zernicke equation or the simplified Debye-Huchel term. An optional Born term is added...... to these electrostatic terms. The resulting electrolyte equations of state were tested by determining the optimal model parameters for the multicomponent test system consisting of H2O, Na+, H+, Ca2+, Cl-, OH-, SO42-. To describe the thermodynamics of this multicomponent system, ion specific parameters were determined...

  15. Multicomponent ensemble models to forecast induced seismicity

    Science.gov (United States)

    Király-Proag, E.; Gischig, V.; Zechar, J. D.; Wiemer, S.

    2018-01-01

    In recent years, human-induced seismicity has become a more and more relevant topic due to its economic and social implications. Several models and approaches have been developed to explain underlying physical processes or forecast induced seismicity. They range from simple statistical models to coupled numerical models incorporating complex physics. We advocate the need for forecast testing as currently the best method for ascertaining if models are capable to reasonably accounting for key physical governing processes—or not. Moreover, operational forecast models are of great interest to help on-site decision-making in projects entailing induced earthquakes. We previously introduced a standardized framework following the guidelines of the Collaboratory for the Study of Earthquake Predictability, the Induced Seismicity Test Bench, to test, validate, and rank induced seismicity models. In this study, we describe how to construct multicomponent ensemble models based on Bayesian weightings that deliver more accurate forecasts than individual models in the case of Basel 2006 and Soultz-sous-Forêts 2004 enhanced geothermal stimulation projects. For this, we examine five calibrated variants of two significantly different model groups: (1) Shapiro and Smoothed Seismicity based on the seismogenic index, simple modified Omori-law-type seismicity decay, and temporally weighted smoothed seismicity; (2) Hydraulics and Seismicity based on numerically modelled pore pressure evolution that triggers seismicity using the Mohr-Coulomb failure criterion. We also demonstrate how the individual and ensemble models would perform as part of an operational Adaptive Traffic Light System. Investigating seismicity forecasts based on a range of potential injection scenarios, we use forecast periods of different durations to compute the occurrence probabilities of seismic events M ≥ 3. We show that in the case of the Basel 2006 geothermal stimulation the models forecast hazardous levels

  16. Mediating Factors of a School-Based Multi-Component Smoking Prevention Intervention: The LdP Cluster Randomized Controlled Trial

    Science.gov (United States)

    Carreras, G.; Bosi, S.; Angelini, P.; Gorini, G.

    2016-01-01

    The aim of this study was to investigate factors mediating the effects of Luoghi di Prevenzione (LdP) smoking prevention intervention based on social competence and social influence approaches, and characterized by peer-led school-based interventions, out-of-school workshops, school lessons, and by enforcing the school anti-smoking policy.…

  17. Safety evaluation report related to the evaluation of low-enriched uranium silicide-aluminum dispersion fuel for use in non-power reactors

    Energy Technology Data Exchange (ETDEWEB)

    1988-07-01

    Low-enriched uranium silicide-aluminum dispersion plate-type fuels have been extensively researched and developed under the international program, Reduced Enrichment in Research and Test Reactors. The international effort was led by Argonne National Laboratory (ANL) in the United States. This evaluation is based primarily on reports issued by ANL that discuss and summarize the developmental tests and experiments, including postirradiation examinations, of both miniature and full-sized plates of prototypical fuel compositions. This evaluation concludes that plate-type fuels suitable and acceptable for use in research and test reactors can be fabricated with U/sub 3/Si/sub 2/-Al dispersion compacts with uranium densities up to 4.8 g/cm/sup 3/. 4 refs., 1 fig.

  18. Multicomponent Dark Matter in Radiative Seesaw Models

    OpenAIRE

    Aoki, Mayumi; Kaneko, Daiki; Kubo, Jisuke

    2017-01-01

    We discuss radiative seesaw models, in which an exact $Z_2\\times Z_2'$ symmetry is imposed. Due to the exact $Z_2\\times Z_2'$ symmetry, neutrino masses are generated at a two-loop level and at least two extra stable electrically neutral particles are predicted. We consider two models: one has a multi-component dark matter system and the other one has a dark radiation in addition to a dark matter. In the multi-component dark matter system, non-standard dark matter annihilation processes exist....

  19. Application of guanidine and its salts in multicomponent reactions

    OpenAIRE

    RAHIMIFARD, Mahshid; Ziarani,Ghodsi Mohammadi

    2014-01-01

    This review gives an overview of the application of guanidine and its salts in multicomponent reactions. It can act as a catalyst or solvent for multicomponent reactions or as a reagent for synthesis of substituted diazines, triazines, and macroheterocycles by multicomponent reactions.

  20. Magnesium and Manganese Silicides For Efficient And Low Cost Thermo-Electric Power Generation

    Energy Technology Data Exchange (ETDEWEB)

    Trivedi, Sudhir B. [Brimrose Technology Corporation; Kutcher, Susan W. [Brimrose Technology Corporation; Rosemeier, Cory A. [Brimrose Technology Corporation; Mayers, David [Brimrose Technology Corporation; Singh, Jogender [Pennsylvania State University

    2013-12-02

    Thermoelectric Power Generation (TEPG) is the most efficient and commercially deployable power generation technology for harvesting wasted heat from such things as automobile exhausts, industrial furnaces, and incinerators, and converting it into usable electrical power. We investigated the materials magnesium silicide (Mg2Si) and manganese silicide (MnSi) for TEG. MgSi2 and MnSi are environmentally friendly, have constituent elements that are abundant in the earth's crust, non-toxic, lighter and cheaper. In Phase I, we successfully produced Mg2Si and MnSi material with good TE properties. We developed a novel technique to synthesize Mg2Si with good crystalline quality, which is normally very difficult due to high Mg vapor pressure and its corrosive nature. We produced n-type Mg2Si and p-type MnSi nanocomposite pellets using FAST. Measurements of resistivity and voltage under a temperature gradient indicated a Seebeck coefficient of roughly 120 V/K on average per leg, which is quite respectable. Results indicated however, that issues related to bonding resulted in high resistivity contacts. Determining a bonding process and bonding material that can provide ohmic contact from room temperature to the operating temperature is an essential part of successful device fabrication. Work continues in the development of a process for reproducibly obtaining low resistance electrical contacts.

  1. Preparation and properties of sputtered nitrogen-doped cobalt silicide film

    Energy Technology Data Exchange (ETDEWEB)

    Ting, J.-H.; Shiau, S.-H.; Chen, Y.-J.; Pan, F.-M.; Wong Harianto; Pu, Gibson M.; Kung, C.-Y

    2004-12-01

    It is the purpose of this study to develop tough hinge material for the application of the torsional springs. Nitrogen-doped cobalt silicide (CoSi{sub x}N{sub y}) film is sputtered from cobalt silicide (CoSi{sub 2}) target in Ar/N{sub 2} discharge. Stress and sheet resistance of CoSi{sub x}N{sub y} film are two major properties to be evaluated. Taguchi method is practiced in reactive sputtering deposition of CoSi{sub x}N{sub y} film. Process pressure is most critical to the CoSi{sub x}N{sub y} film stress and the optimum condition of 1000 W, 0.8 Pa, and 20% N{sub 2} flow ratio, indeed results in low tensile CoSi{sub x}N{sub y} film stress, about 54. MPa. Reannealing process indicates that stability of CoSi{sub x}N{sub y} film is attained after first annealing process. Stress hysteresis behaviors of CoSi{sub x} and CoSi{sub x}N{sub y} films resemble that of metal film with a complete elastic manner in the second stage of heating and cooling. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyses suggest that toughness and strength of the film is achievable. It is concluded that CoSi{sub x}N{sub y} film as a hinge material is feasible.

  2. Prediction of Stable Ruthenium Silicides from First-Principles Calculations: Stoichiometries, Crystal Structures, and Physical Properties.

    Science.gov (United States)

    Zhang, Chuanzhao; Kuang, Xiaoyu; Jin, Yuanyuan; Lu, Cheng; Zhou, Dawei; Li, Peifang; Bao, Gang; Hermann, Andreas

    2015-12-09

    We present results of an unbiased structure search for stable ruthenium silicide compounds with various stoichiometries, using a recently developed technique that combines particle swarm optimization algorithms with first-principles calculations. Two experimentally observed structures of ruthenium silicides, RuSi (space group P2(1)3) and Ru2Si3 (space group Pbcn), are successfully reproduced under ambient pressure conditions. In addition, a stable RuSi2 compound with β-FeSi2 structure type (space group Cmca) was found. The calculations of the formation enthalpy, elastic constants, and phonon dispersions demonstrate the Cmca-RuSi2 compound is energetically, mechanically, and dynamically stable. The analysis of electronic band structures and densities of state reveals that the Cmca-RuSi2 phase is a semiconductor with a direct band gap of 0.480 eV and is stabilized by strong covalent bonding between Ru and neighboring Si atoms. On the basis of the Mulliken overlap population analysis, the Vickers hardness of the Cmca structure RuSi2 is estimated to be 28.0 GPa, indicating its ultra-incompressible nature.

  3. Preliminary investigations on the use of uranium silicide targets for fission Mo-99 production

    Energy Technology Data Exchange (ETDEWEB)

    Cols, H.; Cristini, P.; Marques, R.

    1997-08-01

    The National Atomic Energy Commission (CNEA) of Argentine Republic owns and operates an installation for production of molybdenum-99 from fission products since 1985, and, since 1991, covers the whole national demand of this nuclide, carrying out a program of weekly productions, achieving an average activity of 13 terabecquerel per week. At present they are finishing an enlargement of the production plant that will allow an increase in the volume of production to about one hundred of terabecquerel. Irradiation targets are uranium/aluminium alloy with 90% enriched uranium with aluminium cladding. In view of international trends held at present for replacing high enrichment uranium (HEU) for enrichment values lower than 20 % (LEU), since 1990 the authors are in contact with the RERTR program, beginning with tests to adapt their separation process to new irradiation target conditions. Uranium silicide (U{sub 3}Si{sub 2}) was chosen as the testing material, because it has an uranium mass per volume unit, so that it allows to reduce enrichment to a value of 20%. CNEA has the technology for manufacturing miniplates of uranium silicide for their purposes. In this way, equivalent amounts of Molybdenum-99 could be obtained with no substantial changes in target parameters and irradiation conditions established for the current process with Al/U alloy. This paper shows results achieved on the use of this new target.

  4. Plasma-enhanced deposition and processing of transition metals and transition metal silicides for VLSI

    Science.gov (United States)

    Hess, D. W.

    1986-05-01

    Radiofrequency (rf) discharges have been used to deposit films of tungsten, molybdenum and titanium silicide. As-deposited tungsten films, from tungsten hexafluoride and hydrogen source gases, were metastable (beta W), with significant (>1 atomic percent) fluorine incorporation. Film resistivities were 40-55 micro ohm - cm due to the beta W, but dropped to about 8 micro ohm cm after a short heat treatment at 700 C which resulted in a phase transition to alpha W (bcc form). The high resistivity (>10,000 micro ohm) associated with molybdenum films deposited from molybdenum hexafluoride and hydrogen appeared to be a result of the formation of molybdenum trifluoride in the deposited material. Titanium silicide films formed from a discharge of titanium tetrachloride, silane, and hydrogen, displayed resistivities of about 150 micro ohm cm, due to small amounts of oxygen and chlorine incorporated during deposition. Plasma etching studies of tungsten films with fluorine containing gases suggest that the etchant species for tungsten in these discharges are fluorine atoms.

  5. Two-dimensional electronic structure of dysprosium silicide nanowires on Si(557)

    Energy Technology Data Exchange (ETDEWEB)

    Wanke, Martina; Loeser, Karolin; Pruskil, Gerd; Daehne, Mario [Institute of Solid State Physics, Technical University Berlin (Germany); Stojanov, Petar; Huwald, Eric; Riley, John [School of Physics, La Trobe University, Bundoora, VIC (Australia)

    2008-07-01

    Rare earth silicide nanostructures are of high interest because of their extremely low Schottky barriers on n-Si(111) and the formation of nanowires with one-dimensional metallicity on Si(001). In this work, the self-organized growth of monolayer-thick dysprosium silicide nanowires on Si(557) has been studied by scanning tunnelling microscopy and angle-resolved photoelectron spectroscopy. The bare Si(557) surface is characterized by (111) and (112) facets. Accordingly, we observed the nanowires forming on the (111) facets. For coverages of 2A dysprosium, nanowire lengths exceeding 1{mu}m and widths around 5 nm were found. Their electronic structure shows a strong dispersion both parallel and perpendicular to the nanowires, which is assigned to the band structure of DySi{sub 2} monolayers on Si(111). At higher coverages similar nanowires are observed at the (111) facets, which show characteristic structural properties of the multilayer growth and also the Dy{sub 3}Si{sub 5} multilayer band structure.

  6. Moderators of Intervention Dose Effects on Diet Quality and Physical Activity Changes in a Church-Based, Multicomponent, Lifestyle Study: Delta Body and Soul III

    Science.gov (United States)

    Thomson, J. L.; Zoellner, J. M.; Tussing-Humphreys, L. M.; Goodman, M. H.

    2016-01-01

    Many community-based lifestyle interventions targeting African Americans have reported positive effects on participants' dietary choices and physical activity habits. However, these effects vary and not all participants will have outcome changes. Moderation analysis can help explain differential effects observed, but are not often reported. Hence,…

  7. "Turn-off" fluorescent data array sensor based on double quantum dots coupled with chemometrics for highly sensitive and selective detection of multicomponent pesticides.

    Science.gov (United States)

    Fan, Yao; Liu, Li; Sun, Donglei; Lan, Hanyue; Fu, Haiyan; Yang, Tianming; She, Yuanbin; Ni, Chuang

    2016-04-15

    As a popular detection model, the fluorescence "turn-off" sensor based on quantum dots (QDs) has already been successfully employed in the detections of many materials, especially in the researches on the interactions between pesticides. However, the previous studies are mainly focused on simple single track or the comparison based on similar concentration of drugs. In this work, a new detection method based on the fluorescence "turn-off" model with water-soluble ZnCdSe and CdSe QDs simultaneously as the fluorescent probes is established to detect various pesticides. The fluorescence of the two QDs can be quenched by different pesticides with varying degrees, which leads to the differences in positions and intensities of two peaks. By combining with chemometrics methods, all the pesticides can be qualitative and quantitative respectively even in real samples with the limit of detection was 2 × 10(-8) mol L(-1) and a recognition rate of 100%. This work is, to the best of our knowledge, the first report on the detection of pesticides based on the fluorescence quenching phenomenon of double quantum dots combined with chemometrics methods. What's more, the excellent selectivity of the system has been verified in different mediums such as mixed ion disruption, waste water, tea and water extraction liquid drugs. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Extraordinary Supercapacitor Performance of a Multicomponent and Mixed-Valence Oxyhydroxide.

    Science.gov (United States)

    Kang, Jianli; Hirata, Akihiko; Chen, Luyang; Zhu, Shengli; Fujita, Takeshi; Chen, Mingwei

    2015-07-06

    We report a novel multicomponent mixed-valence oxyhydroxide-based electrode synthesized by electrochemical polarization of a de-alloyed nanoporous NiCuMn alloy. The multicomponent oxyhydroxide has a high specific capacitance larger than 627 F cm(-3) (1097±95 F g(-1) ) at a current density of 0.25 A cm(-3) , originating from multiple redox reactions. More importantly, the oxyhydroxide electrode possesses an extraordinarily wide working-potential window of 1.8 V in an aqueous electrolyte, which far exceeds the theoretically stable window of water. The realization of both high specific capacitance and high working-potential windows gives rise to a high energy density, 51 mWh cm(-3) , of the multicomponent oxyhydroxide-based supercapacitor for high-energy and high-power applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. “Turn-off” fluorescent data array sensor based on double quantum dots coupled with chemometrics for highly sensitive and selective detection of multicomponent pesticides

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Yao; Liu, Li; Sun, Donglei; Lan, Hanyue [The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province, College of Pharmacy, South-Central University for Nationalities, Wuhan 430074 (China); Fu, Haiyan, E-mail: fuhaiyan@mail.scuec.edu.cn [The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province, College of Pharmacy, South-Central University for Nationalities, Wuhan 430074 (China); Yang, Tianming, E-mail: tmyang@mail.scuec.edu.cn [The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province, College of Pharmacy, South-Central University for Nationalities, Wuhan 430074 (China); She, Yuanbin, E-mail: sheyb@zjut.edu.cn [State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032 (China); Ni, Chuang [The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province, College of Pharmacy, South-Central University for Nationalities, Wuhan 430074 (China)

    2016-04-15

    As a popular detection model, the fluorescence “turn-off” sensor based on quantum dots (QDs) has already been successfully employed in the detections of many materials, especially in the researches on the interactions between pesticides. However, the previous studies are mainly focused on simple single track or the comparison based on similar concentration of drugs. In this work, a new detection method based on the fluorescence “turn-off” model with water-soluble ZnCdSe and CdSe QDs simultaneously as the fluorescent probes is established to detect various pesticides. The fluorescence of the two QDs can be quenched by different pesticides with varying degrees, which leads to the differences in positions and intensities of two peaks. By combining with chemometrics methods, all the pesticides can be qualitative and quantitative respectively even in real samples with the limit of detection was 2 × 10{sup −8} mol L{sup −1} and a recognition rate of 100%. This work is, to the best of our knowledge, the first report on the detection of pesticides based on the fluorescence quenching phenomenon of double quantum dots combined with chemometrics methods. What's more, the excellent selectivity of the system has been verified in different mediums such as mixed ion disruption, waste water, tea and water extraction liquid drugs. - Highlights: • A new model based on double QDs is established for pesticide residues detection. • The fluorescent data array sensor is coupled with chmometrics methods. • The sensor can be highly sensitive and selective detection in actual samples.

  10. Study Protocol of MINI SALTEN: a technology-based multi-component intervention in the school environment targeting healthy habits of first grade children and their parents.

    Science.gov (United States)

    Kovalskys, Irina; Rausch Herscovici, Cecile; Indart Rougier, Paula; De Gregorio, María José; Zonis, Luciana; Orellana, Liliana

    2017-05-06

    MINI SALTEN is a program developed to increase moderate to vigorous physical activity (PA) and improve eating habits at home and school in first grade children. It aims to assess the effects of a technology family-based and PA school-based intervention. The purpose of this manuscript is to describe the protocol design and the MINISALTEN intervention. This is cluster-randomized controlled trial designed to run from July 2015 to November 2016 in 12 public schools of the city of Buenos Aires, matched for socio-demographic characteristics. The intervention is based on two main components: (a) "active breaks" (AB): implemented during school breaks by a PA instructor; (b) "virtual" (V): web-based contents delivered to the families via a multiplatform application. Using a computer generated random sequence participants are allocated to one of four intervention conditions: (AB), (V), (AB + V), and control (C). Outcomes are measured at baseline and 12 months post intervention, and will include data collected from the child and her/his mother/father or guardian. Primary outcome measures are: PA and sedentary behaviour (measured with accelerometers). Secondary outcome measures related are: percentage of kilocalories (kcal) from added sugars, and from total and saturated fats; grams of fruits and vegetables; and number of snacks and kcal coming from their added sugars and total and saturated fats. Family socio-economic level, home environment, and school environment will also be assessed. Statistical analysis is on an intention-to-treat principle. Baseline characteristics are described using summary measures and mixed models (with school as random effect). The effect of the two interventions will be estimated using a generalized mixed linear model with link and distribution selected according to the type of outcome. Included random effects are: child (or mother/father or guardian) accounting for repeated measures; school accounting for cluster induced by school. The most

  11. Formation of Mg silicides on amorphous Si. Origin and role of high pressure in the film growth

    Energy Technology Data Exchange (ETDEWEB)

    Dotsenko, S.A. [Institute for Automation and Control Processes, 5 Radio St., Vladivostok 690041 (Russian Federation); Far Eastern Federal University, Physics Dpt., 8 Sukhanova Str., Vladivostok 690950 (Russian Federation); Gouralnik, A.S., E-mail: fungoeson@mail.ru [Institute for Automation and Control Processes, 5 Radio St., Vladivostok 690041 (Russian Federation); Galkin, N.G. [Institute for Automation and Control Processes, 5 Radio St., Vladivostok 690041 (Russian Federation); Far Eastern Federal University, Physics Dpt., 8 Sukhanova Str., Vladivostok 690950 (Russian Federation); Galkin, K.N. [Institute for Automation and Control Processes, 5 Radio St., Vladivostok 690041 (Russian Federation); Gutakovski, A.K.; Neklyudova, M.A. [Rzhanov Institute of Semiconductor Physics, Siberian Branch Russian Academy of Sciences, Lavrentiev Av., Novosibirsk (Russian Federation)

    2014-12-15

    Growth of Mg film on amorphous Si (a-Si) at room temperature in UHV conditions was studied in situ with optical differential reflection spectroscopy and electron energy loss spectroscopy. The phase composition of the film was also studied by high-resolution transmission electron microscopy. The mechanism of silicide film growth on a-Si is considered. The origin of internal stress within the growing film and its role in the silicide film growth process are discussed. Due to high pressure occurring within the growing film, the first phase to form is the hexagonal silicide phase h-Mg{sub 2}Si. According to the DRS data, the phase h-Mg{sub 2}Si is semiconducting. The new peak in the differential reflectance spectrum is assigned to the h-Mg{sub 2}Si. At later stages of Mg deposition the cubic silicide phase c-Mg{sub 2}Si grows. - Highlights: • The film growth by UHV deposition of Mg on amorphous Si layer was studied. • Two Mg{sub 2}Si phases, hexagonal and cubic, were formed on amorphous Silicon. • The metastable h-Mg{sub 2}Si forms first, due to very high stress inside the film. • The stress is induced by chemical forces during intermixing of Mg with Si. • The film growth stages are clearly seen by Differential Reflectance Spectroscopy.

  12. Dynamic Influences in Multi-Component Maintenance

    NARCIS (Netherlands)

    R.E. Wildeman (Ralph); R. Dekker (Rommert)

    1996-01-01

    textabstractMost maintenance-optimisation models assume an infinite planning horizon and suppose that the failure process is stationary. Hence, information which is not known beforehand and which becomes available on the short term only, must be ignored. We consider in this paper a multi-component

  13. Dynamic influences in multi-component maintenance

    NARCIS (Netherlands)

    R.E. Wildeman (Ralph); R. Dekker (Rommert)

    1997-01-01

    textabstractMost maintenance-optimisation models assume an infinite planning horizon and suppose that the failure process is stationary. Hence, information which is not known beforehand and which beocmes available in the short term only, must be ignored. We consider in this paper a multi-component

  14. Improving Culturally Appropriate Care Using a Community-Based Participatory Research Approach: Evaluation of a Multicomponent Cultural Competency Training Program, Arkansas, 2015-2016.

    Science.gov (United States)

    McElfish, Pearl Anna; Long, Christopher R; Rowland, Brett; Moore, Sarah; Wilmoth, Ralph; Ayers, Britni

    2017-08-03

    The United States continues to become more racially and ethnically diverse, and racial/ethnic minority communities encounter sociocultural barriers to quality health care, including implicit racial/ethnic bias among health care providers. In response, health care organizations are developing and implementing cultural competency curricula. Using a community-based participatory research (CBPR) approach, we developed and evaluated a cultural competency training program to improve the delivery of culturally appropriate care in Marshallese and Hispanic communities. We used a mixed-methods evaluation approach based on the Kirkpatrick model of training evaluation. We collected quantitative evaluation data immediately after each training session (March 19, 2015-November 30, 2016) and qualitative data about implementation at 2 points: immediately after each session and 6 months after training. Individuals and organizational units provided qualitative data. We delivered 1,250 units of in-person training at 25 organizations. Participants reported high levels of changes in knowledge (91.2%), competence (86.6%), and performance (87.2%) as a result of the cultural competency training. Organizations reported making policy and environmental changes. Initial outcomes demonstrate the value of developing and implementing cultural competency training programs using a CBPR approach. Additional research is needed to determine the effect on long-term patient outcomes.

  15. The effect of a multi-component camp-based weight-loss program on children's motor skills and physical fitness

    DEFF Research Database (Denmark)

    Larsen, Kristian Traberg; Huang, Tao; Larsen, Lisbeth Runge

    2016-01-01

    BACKGROUND: Many weight-loss programs in children are performed without specific foci on training both physical fitness and motor skills. The aim of this study was to describe the effect of a one-year weight-loss program on children's motor skills and physical fitness. METHODS: Participants...... included 115 overweight fifth-grade children (12.0 years) randomized into either a Day-Camp Intervention Arm (DCIA), with a subsequent family-based support program or a low-intense Standard Intervention Arm (SIA). Physical fitness was assessed by vertical jump, hand grip strength, and a progressive cardio...... the DCIA compared to the SIA. Contrary to the expected, children from the SIA improved aiming and catching skills relative to the DCIA children. Overall z-scores of the physical fitness components and cardio-respiratory fitness improved more in children from the DCIA compared to children from the SIA...

  16. Resolving of challenging gas chromatography-mass spectrometry peak clusters in fragrance samples using multicomponent factorization approaches based on polygon inflation algorithm.

    Science.gov (United States)

    Ghaheri, Salehe; Masoum, Saeed; Gholami, Ali

    2016-01-15

    Analysis of fragrance composition is very important for both the fragrance producers and consumers. Unraveling of fragrance formulation is necessary for quality control, competitor and trace analysis. Gas chromatography-mass spectrometry (GC-MS) has been introduced as the most appropriate analytical technique for this type of analysis, which is based on Kovats index and MS database. The most straightforward method to analyze a GC-MS dataset is to integrate those peaks that can be recognized by their mass profiles. But, because of common problems of chromatographic data such as spectral background, baseline offset and specially overlapped peaks, accurate quantitative and qualitative analysis could be failed. Some chemometric modeling techniques such as bilinear multivariate curve resolution (MCR) methods have been introduced to overcome these problems and obtained well resolved chromatographic profiles. The main drawback of these methods is rotational ambiguity or nonunique solution that is represented as area of feasible solutions (AFS). Polygonal inflation algorithm (PIA) is an automatic and simple to use algorithm for numerical computation of AFS. In this study, the extent of rotational ambiguity in curve resolution methods is calculated by MCR-BAND toolbox and the PIA. The ability of the PIA in resolving GC-MS data sets is evaluated by simulated GC-MS data in comparison with other popular curve resolution methods such as multivariate curve resolution alternative least square (MCR-ALS), multivariate curve resolution objective function minimization (MCR-FMIN) by different initial estimation methods and independent component analysis (ICA). In addition, two typical challenging area of total ion chromatogram (TIC) of commercial fragrances with overlapped peaks were analyzed by the PIA to investigate the possibility of peak deconvolution analysis. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Simultaneous multicomponent spectrophotometric monitoring of methyl and propyl parabens using multivariate statistical methods after their preconcentration by robust ionic liquid-based dispersive liquid-liquid microextraction

    Science.gov (United States)

    Khani, Rouhollah; Ghasemi, Jahan B.; Shemirani, Farzaneh

    2014-03-01

    A powerful and efficient signal-preprocessing technique that combines local and multiscale properties of the wavelet prism with the global filtering capability of orthogonal signal correction (OSC) is applied for pretreatment of spectroscopic data of parabens as model compounds after their preconcentration by robust ionic liquid-based dispersive liquid-liquid microextraction method (IL-DLLME). In the proposed technique, a mixture of a water-immiscible ionic liquid (as extraction solvent) [Hmim][PF6] and disperser solvent is injected into an aqueous sample solution containing one of the IL's ions, NaPF6, as extraction solvent and common ion source. After preconcentration, the absorbance of the extracted compounds was measured in the wavelength range of 200-700 nm. The wavelet orthogonal signal correction with partial least squares (WOSC-PLS) method was then applied for simultaneous determination of each individual compound. Effective parameters, such as amount of IL, volume of the disperser solvent and amount of NaPF6, were inspected by central composite design to identify the most important parameters and their interactions. The effect of pH on the sensitivity and selectivity was studied according to the net analyte signal (NAS) for each component. Under optimum conditions, enrichment factors of the studied compounds were 75 for methyl paraben (MP) and 71 for propyl paraben (PP). Limits of detection for MP and PP were 4.2 and 4.8 ng mL-1, respectively. The root mean square errors of prediction for MP and PP were 0.1046 and 0.1275 μg mL-1, respectively. The practical applicability of the developed method was examined using hygienic, cosmetic, pharmaceutical and natural water samples.

  18. Thermodiffusion in Multicomponent Mixtures Thermodynamic, Algebraic, and Neuro-Computing Models

    CERN Document Server

    Srinivasan, Seshasai

    2013-01-01

    Thermodiffusion in Multicomponent Mixtures presents the computational approaches that are employed in the study of thermodiffusion in various types of mixtures, namely, hydrocarbons, polymers, water-alcohol, molten metals, and so forth. We present a detailed formalism of these methods that are based on non-equilibrium thermodynamics or algebraic correlations or principles of the artificial neural network. The book will serve as single complete reference to understand the theoretical derivations of thermodiffusion models and its application to different types of multi-component mixtures. An exhaustive discussion of these is used to give a complete perspective of the principles and the key factors that govern the thermodiffusion process.

  19. Milestone report on MD potential development for uranium silicide

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Jianguo [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation Dept.; Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation Dept.; Hales, Jason Dean [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation Dept.

    2016-03-01

    This report summarizes the progress on the interatomic potential development of triuranium-disilicide (U3Si2) for molecular dynamics (MD) simulations. The development is based on the Tersoff type potentials for single element U and Si. The Si potential is taken from the literature and a Tersoff type U potential is developed in this project. With the primary focus on the U3Si2 phase, some other U-Si systems such as U3Si are also included as a test of the transferability of the potentials for binary U-Si phases. Based on the potentials for unary U and Si, two sets of parameters for the binary U-Si system are developed using the Tersoff mixing rules and the cross-term fitting, respectively. The cross-term potential is found to give better results on the enthalpy of formation, lattice constants and elastic constants than those produced by the Tersoff mixing potential, with the reference data taken from either experiments or density functional theory (DFT) calculations. In particular, the results on the formation enthalpy and lattice constants for the U3Si2 phase and lattice constants for the high temperature U3Si (h-U3Si) phase generated by the cross-term potential agree well with experimental data. Reasonable agreements are also reached on the elastic constants of U3Si2, on the formation enthalpy for the low temperature U3Si (m-U3Si) and h-U3Si phases, and on the lattice constants of m-U3Si phase. All these phases are predicted to be mechanically stable. The unary U potential is tested for three metallic U phases (α, β, γ). The potential is found capable to predict the cohesive energies well against experimental data for all three phases. It matches reasonably with previous experiments on the lattice constants and elastic constants of αU.

  20. Mid-way and post-intervention effects on potential determinants of physical activity and sedentary behavior, results of the HEIA study - a multi-component school-based randomized trial

    Directory of Open Access Journals (Sweden)

    Bergh Ingunn H

    2012-05-01

    Full Text Available Abstract Background There is limited knowledge as to whether obesity prevention interventions are able to produce change in the determinants hypothesized to precede change in energy balance-related behaviors in young people. The aim of this study was to evaluate the effect of a multi-component intervention on a wide range of theoretically informed determinants of physical activity (PA and sedentary behavior (SB. Moderation effects of gender, weight status and parental education level and whether the perceived intervention dose received influenced the effects were also explored. Methods The HEIA study was a 20-month school-based, randomized controlled trial to promote healthy weight development. In total, 1418 11-year-olds participated at baseline and post-intervention assessment. Enjoyment, self-efficacy, perceived social support from parents, teachers and friends related to PA, perceived parental regulation of TV-viewing and computer/game-use and perceived social inclusion at schools were examined by covariance analyses to assess overall effects and moderation by gender, weight status and parental education, mid-way and post-intervention. Covariance analyses were also used to examine the role of intervention dose received on change in the determinants. Results At mid-way enjoyment (p = .03, perceived social support from teachers (p = .003 and self-efficacy (p = .05 were higher in the intervention group. Weight status moderated the effect on self-efficacy, with a positive effect observed among the normal weight only. At post-intervention results were sustained for social support from teachers (p = .001, while a negative effect was found for self-efficacy (p = .02. Weight status moderated the effect on enjoyment, with reduced enjoyment observed among the overweight. Moderation effects for parental education level were detected for perceived social support from parents and teachers. Finally, positive effects on several

  1. Mid-way and post-intervention effects on potential determinants of physical activity and sedentary behavior, results of the HEIA study - a multi-component school-based randomized trial.

    Science.gov (United States)

    Bergh, Ingunn H; Bjelland, Mona; Grydeland, May; Lien, Nanna; Andersen, Lene F; Klepp, Knut-Inge; Anderssen, Sigmund A; Ommundsen, Yngvar

    2012-05-29

    There is limited knowledge as to whether obesity prevention interventions are able to produce change in the determinants hypothesized to precede change in energy balance-related behaviors in young people. The aim of this study was to evaluate the effect of a multi-component intervention on a wide range of theoretically informed determinants of physical activity (PA) and sedentary behavior (SB). Moderation effects of gender, weight status and parental education level and whether the perceived intervention dose received influenced the effects were also explored. The HEIA study was a 20-month school-based, randomized controlled trial to promote healthy weight development. In total, 1418 11-year-olds participated at baseline and post-intervention assessment. Enjoyment, self-efficacy, perceived social support from parents, teachers and friends related to PA, perceived parental regulation of TV-viewing and computer/game-use and perceived social inclusion at schools were examined by covariance analyses to assess overall effects and moderation by gender, weight status and parental education, mid-way and post-intervention. Covariance analyses were also used to examine the role of intervention dose received on change in the determinants. At mid-way enjoyment (p = .03), perceived social support from teachers (p = .003) and self-efficacy (p = .05) were higher in the intervention group. Weight status moderated the effect on self-efficacy, with a positive effect observed among the normal weight only. At post-intervention results were sustained for social support from teachers (p = .001), while a negative effect was found for self-efficacy (p = .02). Weight status moderated the effect on enjoyment, with reduced enjoyment observed among the overweight. Moderation effects for parental education level were detected for perceived social support from parents and teachers. Finally, positive effects on several determinants were observed among those receiving a high

  2. TOGA: A TOUGH code for modeling three-phase, multi-component, and non-isothermal processes involved in CO2-based Enhanced Oil Recovery

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Lehua [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); Oldenburg, Curtis M. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)

    2016-10-10

    TOGA is a numerical reservoir simulator for modeling non-isothermal flow and transport of water, CO2, multicomponent oil, and related gas components for applications including CO2-enhanced oil recovery (CO2-EOR) and geologic carbon sequestration in depleted oil and gas reservoirs. TOGA uses an approach based on the Peng-Robinson equation of state (PR-EOS) to calculate the thermophysical properties of the gas and oil phases including the gas/oil components dissolved in the aqueous phase, and uses a mixing model to estimate the thermophysical properties of the aqueous phase. The phase behavior (e.g., occurrence and disappearance of the three phases, gas + oil + aqueous) and the partitioning of non-aqueous components (e.g., CO2, CH4, and n-oil components) between coexisting phases are modeled using K-values derived from assumptions of equal-fugacity that have been demonstrated to be very accurate as shown by comparison to measured data. Models for saturated (water) vapor pressure and water solubility (in the oil phase) are used to calculate the partitioning of the water (H2O) component between the gas and oil phases. All components (e.g., CO2, H2O, and n hydrocarbon components) are allowed to be present in all phases (aqueous, gaseous, and oil). TOGA uses a multiphase version of Darcy’s Law to model flow and transport through porous media of mixtures with up to three phases over a range of pressures and temperatures appropriate to hydrocarbon recovery and geologic carbon sequestration systems. Transport of the gaseous and dissolved components is by advection and Fickian molecular diffusion. New methods for phase partitioning and thermophysical property modeling in TOGA have been validated against experimental data published in the literature for describing phase partitioning and phase behavior. Flow and transport has been verified by testing against related TOUGH2 EOS modules and

  3. Chemical vapour deposition of tungsten and tungsten silicide layers for applications in novel silicon technology

    CERN Document Server

    Li, F X

    2002-01-01

    This work was a detailed investigation into the Chemical Vapour Deposition (CVD) of tungsten and tungsten silicide for potential applications in integrated circuit (IC) and other microelectronic devices. These materials may find novel applications in contact schemes for transistors in advanced ICs, buried high conductivity layers in novel Silicon-On-Insulator (SOI) technology and in power electronic devices. The CVD techniques developed may also be used for metal coating of recessed or enclosed features which may occur in novel electronic or electromechanical devices. CVD of tungsten was investigated using the silicon reduction reaction of WF sub 6. W layers with an optimum self-limiting thickness of 100 nm and resistivity 20 mu OMEGA centre dot cm were produced self-aligned to silicon. A hydrogen passivation technique was developed as part of the wafer pre-clean schedule and proved essential in achieving optimum layer thickness. Layers produced by this approach are ideal for intimate contact to shallow junct...

  4. Hydrogen generation systems utilizing sodium silicide and sodium silica gel materials

    Science.gov (United States)

    Wallace, Andrew P.; Melack, John M.; Lefenfeld, Michael

    2015-07-14

    Systems, devices, and methods combine reactant materials and aqueous solutions to generate hydrogen. The reactant materials can sodium silicide or sodium silica gel. The hydrogen generation devices are used in fuels cells and other industrial applications. One system combines cooling, pumping, water storage, and other devices to sense and control reactions between reactant materials and aqueous solutions to generate hydrogen. Multiple inlets of varied placement geometries deliver aqueous solution to the reaction. The reactant materials and aqueous solution are churned to control the state of the reaction. The aqueous solution can be recycled and returned to the reaction. One system operates over a range of temperatures and pressures and includes a hydrogen separator, a heat removal mechanism, and state of reaction control devices. The systems, devices, and methods of generating hydrogen provide thermally stable solids, near-instant reaction with the aqueous solutions, and a non-toxic liquid by-product.

  5. Friction and wear of radiofrequency-sputtered borides, silicides, and carbides

    Science.gov (United States)

    Brainard, W. A.; Wheeler, D. R.

    1978-01-01

    The friction and wear properties of several refractory compound coatings were examined. These compounds were applied to 440 C bearing steel surfaces by radiofrequency (RF) sputtering. The refractory compounds were the titanium and molybdenum borides, the titanium and molybdenum silicides, and the titanium, molybdenum, and boron carbides. Friction testing was done with a pin-on-disk wear apparatus at loads from 0.1 to 5.0 newtons. Generally, the best wear properties were obtained when the coatings were bias sputtered onto 440 C disks that had been preoxidized. Adherence was improved because of the better bonding of the coatings to the iron oxide formed during preoxidation. As a class the carbides provided wear protection to the highest loads. Titanium boride coatings provided low friction and good wear properties to moderate loads.

  6. Hydrogen generation systems utilizing sodium silicide and sodium silica gel materials

    Energy Technology Data Exchange (ETDEWEB)

    Wallace, Andrew P.; Melack, John M.; Lefenfeld, Michael

    2017-06-06

    Systems, devices, and methods combine reactant materials and aqueous solutions to generate hydrogen. The reactant materials can sodium silicide or sodium silica gel. The hydrogen generation devices are used in fuels cells and other industrial applications. One system combines cooling, pumping, water storage, and other devices to sense and control reactions between reactant materials and aqueous solutions to generate hydrogen. Multiple inlets of varied placement geometries deliver aqueous solution to the reaction. The reactant materials and aqueous solution are churned to control the state of the reaction. The aqueous solution can be recycled and returned to the reaction. One system operates over a range of temperatures and pressures and includes a hydrogen separator, a heat removal mechanism, and state of reaction control devices. The systems, devices, and methods of generating hydrogen provide thermally stable solids, near-instant reaction with the aqueous solutions, and a non-toxic liquid by-product.

  7. Fluctuation theory for transport properties in multicomponent mixtures: thermodiffusion and heat conductivity

    DEFF Research Database (Denmark)

    Shapiro, Alexander

    2004-01-01

    The theory of transport properties in multicomponent gas and liquid mixtures, which was previously developed for diffusion coefficients, is extended onto thermodiffusion coefficients and heat conductivities. The derivation of the expressions for transport properties is based on the general...... of the heat conductivity coefficient for ideal gas. (C) 2003 Elsevier B.V. All rights reserved....

  8. numerical scheme for simulating multicomponent mass transport accompanied by reversible chemical reaction sin porous media

    NARCIS (Netherlands)

    Benes, Nieck Edwin; Verzijl, Richard; Verweij, H.

    1999-01-01

    A numerical scheme is presented for computer simulation of multicomponent gas transport possibly accompanied by reversible chemical reactions in a macroporous medium, based on the dusty gas model. Using analytical solutions for simple systems it is shown that the derivation of the scheme is

  9. Nonlinear System Of Equations For Multicomponent Analysis Of Artificial Food Coloring

    Science.gov (United States)

    Santosa, I. E.; Budiasih, L. K.

    2010-12-01

    In multicomponent analysis of artificial food coloring (AFC), nonlinear relation of the absorbance and the concentration forms a nonlinear system of equations. The Newton's method based algorithm has been used to calculate individual AFC concentration in the mixture of two AFCs. The absorbance was measured using a spectrophotometer at two different wavelengths.

  10. Evaluation of diffusion coefficients in multicomponent mixtures by means of the fluctuation theory

    DEFF Research Database (Denmark)

    Shapiro, Alexander

    2003-01-01

    We derive general expressions for diffusion coefficients in multicomponent non-ideal gas or liquid mixtures. The derivation is based on the general statistical theory of fluctuations around an equilibrium state. The matrix of diffusion coefficients is expressed in terms of the equilibrium thermod...

  11. Phosphopeptidomimetic substance libraries from multicomponent reaction: Enantioseparation on quinidine carbamate stationary phase

    NARCIS (Netherlands)

    Gargano, Andrea F.G.; Lindner, Wolfgang; Lämmerhofer, Michael

    2013-01-01

    In the present contribution we report a HPLC enantioseparation method for a library of amido-aminophosphonate structures generated by a novel Ugi-multicomponent reaction. The enantioseparation of these novel potentially bioactive molecules was achieved by means of HPLC on cinchona-carbamate based

  12. Chemometric Analysis of Multicomponent Biodegradable Plastics by Fourier Transform Infrared Spectrometry: The R-Matrix Method

    Science.gov (United States)

    A new chemometric method based on absorbance ratios from Fourier transform infrared spectra was devised to analyze multicomponent biodegradable plastics. The method uses the BeerLambert law to directly compute individual component concentrations and weight losses before and after biodegradation of c...

  13. Characterisation of amorphous molybdenum silicide (MoSi) superconducting thin films and nanowires

    Science.gov (United States)

    Banerjee, Archan; Baker, Luke J.; Doye, Alastair; Nord, Magnus; Heath, Robert M.; Erotokritou, Kleanthis; Bosworth, David; Barber, Zoe H.; MacLaren, Ian; Hadfield, Robert H.

    2017-08-01

    We report on the optimisation of amorphous molybdenum silicide thin film growth for superconducting nanowire single-photon detector (SNSPD) applications. Molybdenum silicide was deposited via co-sputtering from Mo and Si targets in an Ar atmosphere. The superconducting transition temperature (T c) and sheet resistance (R s) were measured as a function of thickness and compared to several theoretical models for disordered superconducting films. Superconducting and optical properties of amorphous materials are very sensitive to short- (up to 1 nm) and medium-range order (˜1-3 nm) in the atomic structure. Fluctuation electron microscopy studies showed that the films assumed an A15-like medium-range order. Electron energy loss spectroscopy indicates that the film stoichiometry was close to Mo83Si17, which is consistent with reports that many other A15 structures with the nominal formula A 3 B show a significant non-stoichiometry with A:B > 3:1. Optical properties from ultraviolet (270 nm) to infrared (2200 nm) wavelengths were measured via spectroscopic ellipsometry for 5 nm thick MoSi films indicating high long wavelength absorption. We also measured the current density as a function of temperature for nanowires patterned from a 10 nm thick MoSi film. The current density at 3.6 K is 3.6 × 105 A cm-2 for the widest wire studied (2003 nm), falling to 2 × 105 A cm-2 for the narrowest (173 nm). This investigation confirms the excellent suitability of MoSi for SNSPD applications and gives fresh insight into the properties of the underlying materials.

  14. "Self-Shaping" of Multicomponent Drops.

    Science.gov (United States)

    Cholakova, Diana; Valkova, Zhulieta; Tcholakova, Slavka; Denkov, Nikolai; Smoukov, Stoyan K

    2017-06-13

    In our recent study we showed that single-component emulsion drops, stabilized by proper surfactants, can spontaneously break symmetry and transform into various polygonal shapes during cooling [ Denkov Nature 2015 , 528 , 392 - 395 ]. This process involves the formation of a plastic rotator phase of self-assembled oil molecules beneath the drop surface. The plastic phase spontaneously forms a frame of plastic rods at the oil drop perimeter which supports the polygonal shapes. However, most of the common substances used in industry appear as mixtures of molecules rather than pure substances. Here we present a systematic study of the ability of multicomponent emulsion drops to deform upon cooling. The observed trends can be summarized as follows: (1) The general drop-shape evolution for multicomponent drops during cooling is the same as with single-component drops; however, some additional shapes are observed. (2) Preservation of the particle shape upon freezing is possible for alkane mixtures with chain length difference Δn ≤ 4; for greater Δn, phase separation within the droplet is observed. (3) Multicomponent particles prepared from alkanes with Δn ≤ 4 plastify upon cooling due to the formation of a bulk rotator phase within the particles. (4) If a compound, which cannot induce self-shaping when pure, is mixed with a certain amount of a compound which induces self-shaping, then drops prepared from this mixture can also self-shape upon cooling. (5) Self-emulsification phenomena are also observed for multicomponent drops. In addition to the three recently reported mechanisms of self-emulsification [ Tcholakova Nat. Commun. 2017 , ( 8 ), 15012 ], a new (fourth) mechanism is observed upon freezing for alkane mixtures with Δn > 4. It involves disintegration of the particles due to a phase separation of alkanes upon freezing.

  15. Multi-component optical solitary waves

    DEFF Research Database (Denmark)

    Kivshar, Y. S.; Sukhorukov, A. A.; Ostrovskaya, E. A.

    2000-01-01

    We discuss several novel types of multi-component (temporal and spatial) envelope solitary waves that appear in fiber and waveguide nonlinear optics. In particular, we describe multi-channel solitary waves in bit-parallel-wavelength fiber transmission systems for highperformance computer networks......, multi-color parametric spatial solitary waves due to cascaded nonlinearities of quadratic materials, and quasiperiodic envelope solitons due to quasi-phase-matching in Fibonacci optical superlattices. (C) 2000 Elsevier Science B.V. All rights reserved....

  16. Thermodiffusion in multicomponent n-alkane mixtures.

    Science.gov (United States)

    Galliero, Guillaume; Bataller, Henri; Bazile, Jean-Patrick; Diaz, Joseph; Croccolo, Fabrizio; Hoang, Hai; Vermorel, Romain; Artola, Pierre-Arnaud; Rousseau, Bernard; Vesovic, Velisa; Bou-Ali, M Mounir; Ortiz de Zárate, José M; Xu, Shenghua; Zhang, Ke; Montel, François; Verga, Antonio; Minster, Olivier

    2017-01-01

    Compositional grading within a mixture has a strong impact on the evaluation of the pre-exploitation distribution of hydrocarbons in underground layers and sediments. Thermodiffusion, which leads to a partial diffusive separation of species in a mixture due to the geothermal gradient, is thought to play an important role in determining the distribution of species in a reservoir. However, despite recent progress, thermodiffusion is still difficult to measure and model in multicomponent mixtures. In this work, we report on experimental investigations of the thermodiffusion of multicomponent n-alkane mixtures at pressure above 30 MPa. The experiments have been conducted in space onboard the Shi Jian 10 spacecraft so as to isolate the studied phenomena from convection. For the two exploitable cells, containing a ternary liquid mixture and a condensate gas, measurements have shown that the lightest and heaviest species had a tendency to migrate, relatively to the rest of the species, to the hot and cold region, respectively. These trends have been confirmed by molecular dynamics simulations. The measured condensate gas data have been used to quantify the influence of thermodiffusion on the initial fluid distribution of an idealised one dimension reservoir. The results obtained indicate that thermodiffusion tends to noticeably counteract the influence of gravitational segregation on the vertical distribution of species, which could result in an unstable fluid column. This confirms that, in oil and gas reservoirs, the availability of thermodiffusion data for multicomponent mixtures is crucial for a correct evaluation of the initial state fluid distribution.

  17. Effective binary theory of multi-component nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Kalikmanov, V. I., E-mail: Vitaly.Kalikmanov@twisterbv.com [Twister Supersonic Gas Solutions, Einsteinlaan 20, 2289 CC Rijswijk, Netherlands and Department of Geoscience and Engineering, Delft University of Technology, Stevinweg 1, 2628 CN Delft (Netherlands)

    2015-03-28

    Classical theory of multi-component nucleation [O. Hirschfelder, J. Chem. Phys. 61, 2690 (1974)] belongs to the class of the so-called intractable problems: it requires computational time which is an exponential function of the number of components N. For a number of systems of practical interest with N > 10, the brute-force use of the classical theory becomes virtually impossible and one has to resort to an effective medium approach. We present an effective binary model which captures important physics of multi-component nucleation. The distinction between two effective species is based on the observation that while all N components contribute to the cluster thermodynamic properties, there is only a part of them which trigger the nucleation process. The proposed 2D-theory takes into account adsorption by means of the Gibbs dividing surface formalism and uses statistical mechanical considerations for the treatment of small clusters. Theoretical predictions for binary-, ternary-, and 14-component mixtures are compared with available experimental data and other models.

  18. Designing Multicomponent Nanosystems for Rapid Detection of Circulating Tumor Cells.

    Science.gov (United States)

    Banerjee, Shashwat S; Khobragade, Vrushali; Khandare, Jayant

    2017-01-01

    Detection of circulating tumor cells (CTCs) in the blood circulation holds immense promise as it predicts the overall probability of patient survival. Therefore, CTC-based technologies are gaining prominence as a "liquid biopsy" for cancer diagnostics and prognostics. Here, we describe the design and synthesis of two distinct multicomponent magnetic nanosystems for rapid capture and detection of CTCs. The multifunctional Magneto-Dendrimeric Nano System (MDNS) composed of an anchoring dendrimer that is conjugated to multiple agents such as near infrared (NIR) fluorescent cyanine 5 NHS (Cy5), glutathione (GSH), transferrin (Tf), and iron oxide (Fe3O4) magnetic nanoparticle (MNP) for simultaneous tumor cell-specific affinity, multimodal high resolution confocal imaging, and cell isolation. The second nanosystem is a self-propelled microrocket that is composed of carbon nanotube (CNT), chemically conjugated with targeting ligand such as transferrin on the outer surface and Fe3O4 nanoparticles in the inner surface. The multicomponent nanosystems described here are highly efficient in targeting and isolating cancer cells thus benefiting early diagnosis and therapy of cancer.

  19. Copper silicide/silicon nanowire heterostructures: in situ TEM observation of growth behaviors and electron transport properties.

    Science.gov (United States)

    Chiu, Chung-Hua; Huang, Chun-Wei; Chen, Jui-Yuan; Huang, Yu-Ting; Hu, Jung-Chih; Chen, Lien-Tai; Hsin, Cheng-Lun; Wu, Wen-Wei

    2013-06-07

    Copper silicide has been studied in the applications of electronic devices and catalysts. In this study, Cu3Si/Si nanowire heterostructures were fabricated through solid state reaction in an in situ transmission electron microscope (TEM). The dynamic diffusion of the copper atoms in the growth process and the formation mechanism are characterized. We found that two dimensional stacking faults (SF) may retard the growth of Cu3Si. Due to the evidence of the block of edge-nucleation (heterogeneous) by the surface oxide, center-nucleation (homogeneous) is suggested to dominate the silicidation. Furthermore, the electrical transport properties of various silicon channel length with Cu3Si/Si heterostructure interfaces and metallic Cu3Si NWs have been investigated. The observations not only provided an alternative pathway to explore the formation mechanisms and interface properties of Cu3Si/Si, but also suggested the potential application of Cu3Si at nanoscale for future processing in nanotechnology.

  20. Electronic structures of platinum group elements silicides calculated by a first-principle pseudopotential method using plane-wave basis

    Energy Technology Data Exchange (ETDEWEB)

    Imai, Y. [National Institute of Advanced Industrial Science and Technology, AIST Tsukuba Central 5, Higashi 1-1 Tsukuba, Ibaraki 305-8565 (Japan); Watanabe, A. [National Institute of Advanced Industrial Science and Technology, AIST Tsukuba Central 5, Higashi 1-1 Tsukuba, Ibaraki 305-8565 (Japan)

    2006-06-29

    The electronic structures of platinum group elements (Ru, Os, Rh, Ir, Pd, and Pt) silicides have been calculated. Ir{sub 3}Si{sub 5} is a semiconductor with the direct gap of 1.14 eV. Among monosilicides, RuSi and OsSi with the FeSi-type structure are semiconductors with the gap values of 0.21 and 0.41 eV but RhSi, IrSi, PdSi, and PtSi with the MnP-type structure are metals. No semiconducting compounds can be found in other platinum group elements silicides other than known Ru{sub 2}Si{sub 3}, Os{sub 2}Si{sub 3}, and OsSi{sub 2}.

  1. Pack cementation Cr-Al coating of steels and Ge-doped silicide coating of Cr-Nb alloy

    Energy Technology Data Exchange (ETDEWEB)

    He, Y.R.; Zheng, M.H.; Rapp, R.A. [Ohio State Univ., Columbus, OH (United States)

    1995-08-01

    Carbon steels or low-alloy steels used in utility boilers, heat exchangers, petrochemical plants and coal gasification systems are subjected to high temperature corrosion attack such as oxidation, sulfidation and hot corrosion. The pack cementation coating process has proven to be an economical and effective method to enhance the corrosion resistance by modifying the surface composition of steels. With the aid of a computer program, STEPSOL, pack cementation conditions to produce a ferrite Cr-Al diffusion coating on carbon-containing steels by using elemental Cr and Al powders have been calculated and experimentally verified. The cyclic oxidation kinetics for the Cr-Al coated steels are presented. Chromium silicide can maintain high oxidation resistance up to 1100{degrees}C by forming a SiO{sub 2} protective scale. Previous studies at Ohio State University have shown that the cyclic oxidation resistance of MOSi{sub 2} and TiSi{sub 2} can be further improved by Ge addition introduced during coating growth. The halide-activated pack cementation process was modified to produce a Ge-doped silicide diffusion coating in a single processing step for the ORNL-developed Cr-Nb advanced intermetallic alloy. The oxidation behavior of the silicide-coated Cr-Nb alloy was excellent: weight gain of about 1 mg/cm{sup 2} upon oxidation at 1100{degrees}C in air for 100 hours.

  2. Efficiency Efficiency, Diversity, and Complexity with Multicomponent Reactions Efficiency Efficiency, Diversity, and Complexity with Multicomponent Reactions

    NARCIS (Netherlands)

    van der Heijden, G.; Ruijter, E.; Orru, R.V.A.

    2013-01-01

    Multicomponent reactions (MCRs) are versatile syntheses for obtaining structurally diverse sets of complex scaffolds with high efficiency. As such, they can be attractive synthetic tools for the realization of diversity- and/or biology-oriented synthesis design strategies for focused libraries. In

  3. Rapid multicomponent relaxometry in steady state with correction of magnetization transfer effects.

    Science.gov (United States)

    Liu, Fang; Block, Walter F; Kijowski, Richard; Samsonov, Alexey

    2016-04-01

    To study the effects of magnetization transfer (MT) on multicomponent T2 parameters obtained using mcDESPOT in macromolecule-rich tissues and to propose a new method called mcRISE to correct MT-induced biases. The two-pool mcDESPOT model was modified by the addition of an exchanging macromolecule proton pool to model the MT effect in cartilage. The mcRISE acquisition scheme was developed to provide sensitivity to all pools. An incremental fitting was applied to estimate MT and relaxometry parameters with minimized coupling. The interaction between MT and relaxometry parameters, efficacy of MT correction, and feasibility of mcRISE in vivo were investigated in simulations and in healthy volunteers. The MT effect caused significant errors in multicomponent T1/T2 values and in fast-relaxing water fraction fF , which is consistent with previous experimental observations. fF increased significantly with macromolecule content if MT was ignored. mcRISE resulted in a multifold reduction of MT biases and yielded decoupled multicomponent T1/T2 relaxometry and quantitative MT parameters. mcRISE is an efficient approach for correcting MT biases in multicomponent relaxometry based on steady state sequences. Improved specificity of mcRISE may help to elucidate the sources of the previously described high sensitivity of noncorrected mcDESPOT parameters to disease-related changes in cartilage and the brain. © 2015 Wiley Periodicals, Inc.

  4. General Model for Multicomponent Ablation Thermochemistry

    Science.gov (United States)

    Milos, Frank S.; Marschall, Jochen; Rasky, Daniel J. (Technical Monitor)

    1994-01-01

    A previous paper (AIAA 94-2042) presented equations and numerical procedures for modeling the thermochemical ablation and pyrolysis of thermal protection materials which contain multiple surface species. This work describes modifications and enhancements to the Multicomponent Ablation Thermochemistry (MAT) theory and code for application to the general case which includes surface area constraints, rate limited surface reactions, and non-thermochemical mass loss (failure). Detailed results and comparisons with data are presented for the Shuttle Orbiter reinforced carbon-carbon oxidation protection system which contains a mixture of sodium silicate (Na2SiO3), silica (SiO2), silicon carbide (SiC), and carbon (C).

  5. Pack cementation diffusion coatings for Fe-base and refractory alloys. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Rapp, R.A. [Ohio State Univ., Columbus, OH (United States). Dept. of Materials Science and Engineering

    1998-03-10

    With the aid of computer-assisted calculations of the equilibrium vapor pressures in halide-activated cementation packs, processing conditions have been identified and experimentally verified for the codeposition of two or more alloying elements in a diffusion coating on a variety of steels and refractory metal alloys. A new comprehensive theory to treat the multi-component thermodynamic equilibria in the gas phase for several coexisting solid phases was developed and used. Many different processes to deposit various types of coatings on several types of steels were developed: Cr-Si codeposition for low- or medium-carbon steels, Cr-Al codeposition on low-carbon steels to yield either a Kanthal-type composition (Fe-25Cr-4Al in wt.%) or else a (Fe, Cr){sub 3}Al surface composition. An Fe{sub 3}Al substrate was aluminized to achieve an FeAl surface composition, and boron was also added to ductilize the coating. The developmental Cr-lean ORNL alloys with exceptional creep resistance were Cr-Al coated to achieve excellent oxidation resistance. Alloy wires of Ni-base were aluminized to provide an average composition of Ni{sub 3}Al for use as welding rods. Several different refractory metal alloys based on Cr-Cr{sub 2}Nb have been silicided, also with germanium additions, to provide excellent oxidation resistance. A couple of developmental Cr-Zr alloys were similarly coated and tested.

  6. Characterization of complex carbide–silicide precipitates in a Ni–Cr–Mo–Fe–Si alloy modified by welding

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharyya, D., E-mail: dhb@ansto.gov.au; Davis, J.; Drew, M.; Harrison, R.P.; Edwards, L.

    2015-07-15

    Nickel based alloys of the type Hastelloy-N™ are ideal candidate materials for molten salt reactors, as well as for applications such as pressure vessels, due to their excellent resistance to creep, oxidation and corrosion. In this work, the authors have attempted to understand the effects of welding on the morphology, chemistry and crystal structure of the precipitates in the heat affected zone (HAZ) and the weld zone of a Ni–Cr–Mo–Fe–Si alloy similar to Hastelloy-N™ in composition, by using characterization techniques such as scanning and transmission electron microscopy. Two plates of a Ni–Cr–Mo–Fe–Si alloy GH-3535 were welded together using a TiG welding process without filler material to achieve a joint with a curved molten zone with dendritic structure. It is evident that the primary precipitates have melted in the HAZ and re-solidified in a eutectic-like morphology, with a chemistry and crystal structure only slightly different from the pre-existing precipitates, while the surrounding matrix grains remained unmelted, except for the zones immediately adjacent to the precipitates. In the molten zone, the primary precipitates were fully melted and dissolved in the matrix, and there was enrichment of Mo and Si in the dendrite boundaries after solidification, and re-precipitation of the complex carbides/silicides at some grain boundaries and triple points. The nature of the precipitates in the molten zone varied according to the local chemical composition. - Graphical abstract: Display Omitted - Highlights: • Ni-based alloy with Cr, Mo, Si, Fe and C was welded, examined with SEM, EBSD, and TEM. • Original Ni{sub 2}(Mo,Cr){sub 4}(Si,C) carbides changed from equiaxed to lamellar shape in HAZ. • Composition and crystal structure remained almost unchanged in HAZ. • Original carbides changed to lamellar Ni{sub 3}(Mo,Cr){sub 3}(Si,C) in some cases in weld metal. • Precipitates were mostly incoherent, but semi-coherent in some cases in weld

  7. Improving mechanical properties of desloratadine via multicomponent crystal formation.

    Science.gov (United States)

    Ainurofiq, Ahmad; Mauludin, Rachmat; Mudhakir, Diky; Umeda, Daiki; Soewandhi, Sundani Nurono; Putra, Okky Dwichandra; Yonemochi, Etsuo

    2018-01-01

    We report the first multicomponent crystal of desloratadine, an important anti-histamine drug, with a pharmaceutically acceptable coformer of benzoic acid. The single crystal structure analysis revealed that this novel multicomponent crystal is categorized as salt due to the proton transfer from benzoic acid to the desloratadine molecule. By forming the salt multicomponent crystal, we demonstrated that the tabletability and plasticity of the multicomponent crystal was improved from the parent drug. In addition, neither capping nor lamination tendency was observed in the desloratadine-benzoic acid multicomponent crystal. The existence of a layered structure and slip planes are proposed to be associated with this improvement. The desloratadine-benzoate in this case shows an improved solubility in water and HCl 0.1N media and a better dissolution profile in water. However, the dissolution rate in HCl 0.1N media was found to be essentially indifference. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Multicomponent and multiscale systems theory, methods, and applications in engineering

    CERN Document Server

    Geiser, Juergen

    2016-01-01

    This book examines the latest research results from combined multi-component and multi-scale explorations. It provides theory, considers underlying numerical methods, and presents brilliant computational experimentation. Engineering computations featured in this monograph further offer particular interest to many researchers, engineers, and computational scientists working in frontier modeling and applications of multicomponent and multiscale problems. Professor Geiser gives specific attention to the aspects of decomposing and splitting delicate structures and controlling decomposition and the rationale behind many important applications of multi-component and multi-scale analysis. Multicomponent and Multiscale Systems: Theory, Methods, and Applications in Engineering also considers the question of why iterative methods can be powerful and more appropriate for well-balanced multiscale and multicomponent coupled nonlinear problems. The book is ideal for engineers and scientists working in theoretical and a...

  9. Multicomponent diffusion coefficients from microfluidics using Raman microspectroscopy.

    Science.gov (United States)

    Peters, Christine; Wolff, Ludger; Haase, Sandra; Thien, Julia; Brands, Thorsten; Koß, Hans-Jürgen; Bardow, André

    2017-08-08

    Diffusion is slow. Thus, diffusion experiments are intrinsically time-consuming and laborious. Additionally, the experimental effort is multiplied for multicomponent systems as the determination of multicomponent diffusion coefficients typically requires several experiments. To reduce the experimental effort, we present the first microfluidic diffusion measurement method for multicomponent liquid systems. The measurement setup combines a microfluidic chip with Raman microspectroscopy. Excellent agreement between experimental results and literature data is achieved for the binary system cyclohexane + toluene and the ternary system 1-propanol + 1-chlorobutane + heptane. The Fick diffusion coefficients are obtained from fitting a multicomponent convection-diffusion model to the mole fractions measured in experiments. Ternary diffusion coefficients can be obtained from a single experiment; high accuracy is already obtained from two experiments. Advantages of the presented measurement method are thus short measurement times, reduced sample consumption, and less experiments for the determination of a multicomponent diffusion coefficient.

  10. A multi-component evaporation model for beam melting processes

    Science.gov (United States)

    Klassen, Alexander; Forster, Vera E.; Körner, Carolin

    2017-02-01

    In additive manufacturing using laser or electron beam melting technologies, evaporation losses and changes in chemical composition are known issues when processing alloys with volatile elements. In this paper, a recently described numerical model based on a two-dimensional free surface lattice Boltzmann method is further developed to incorporate the effects of multi-component evaporation. The model takes into account the local melt pool composition during heating and fusion of metal powder. For validation, the titanium alloy Ti-6Al-4V is melted by selective electron beam melting and analysed using mass loss measurements and high-resolution microprobe imaging. Numerically determined evaporation losses and spatial distributions of aluminium compare well with experimental data. Predictions of the melt pool formation in bulk samples provide insight into the competition between the loss of volatile alloying elements from the irradiated surface and their advective redistribution within the molten region.

  11. Energetic Variational Approach to Multi-Component Fluid Flows

    Science.gov (United States)

    Kirshtein, Arkadz; Liu, Chun; Brannick, James

    2017-11-01

    In this talk I will introduce the systematic energetic variational approach for dissipative systems applied to multi-component fluid flows. These variational approaches are motivated by the seminal works of Rayleigh and Onsager. The advantage of this approach is that we have to postulate only energy law and some kinematic relations based on fundamental physical principles. The method gives a clear, quick and consistent way to derive the PDE system. I will compare different approaches to three-component flows using diffusive interface method and discuss their advantages and disadvantages. The diffusive interface method is an approach for modeling interactions among complex substances. The main idea behind this method is to introduce phase field labeling functions in order to model the contact line by smooth change from one type of material to another. The work of Arkadz Kirshtein and Chun Liu is partially supported by NSF Grants DMS-141200 and DMS-1216938.

  12. Multicomponent analysis of drinking water by a voltammetric electronic tongue

    Energy Technology Data Exchange (ETDEWEB)

    Winquist, Fredrik, E-mail: frw@ifm.liu.se [Swedish Sensor Centre and the Division of Applied Physics, Department of Physics, Chemistry and Biology, Linkoeping University, SE-581 83 Linkoeping (Sweden); Olsson, John; Eriksson, Mats [Swedish Sensor Centre and the Division of Applied Physics, Department of Physics, Chemistry and Biology, Linkoeping University, SE-581 83 Linkoeping (Sweden)

    2011-01-10

    A voltammetric electronic tongue is described that was used for multicomponent analysis of drinking water. Measurements were performed on drinking water from a tap and injections of the compounds NaCl, NaN{sub 3}, NaHSO{sub 3}, ascorbic acid, NaOCl and yeast suspensions could be identified by use of principal component analysis (PCA). A model based on partial least square (PLS) was developed for the simultaneously prediction of identification and concentration of the compounds NaCl, NaHSO{sub 3} and NaOCl. By utilizing this type of non-selective sensor technique for water quality surveillance, it will be feasible to detect a plurality of events without the need of a specific sensor for each type of event.

  13. "Stamp-off" to micropattern sparse, multicomponent features.

    Science.gov (United States)

    Desai, Ravi A; Rodriguez, Natalia M; Chen, Christopher S

    2014-01-01

    Spatially patterned subtractive de-inking, a process we term "stamp-off," provides a simple method to generate sparse, multicomponent protein micropatterns. It has been applied to control cell adhesion, study adhesion biology, as well as to micropattern fragile surfaces. This technique can also readily be applied to study nanoscale interactions between cell membrane receptors and surface-immobilized ligands. It is based on conventional microcontact printing and as such requires the same reagents, including photolithographically defined masters, a spin-coater, poly(dimethyl siloxane) (PDMS), and conventional cell culture reagents such as glass coverslips and adhesive proteins. Stamp-off is conceptually simplified into three steps: (1) generation of an appropriate cell culture substrate, PDMS-coated glass, (2) micropatterning with stamp-off, and (3) cell deposition. After elaborating each of these three methods, we discuss limitations of the technique and its applications. Copyright © 2014 Elsevier Inc. All rights reserved.

  14. Multicomponent analysis of drinking water by a voltammetric electronic tongue.

    Science.gov (United States)

    Winquist, Fredrik; Olsson, John; Eriksson, Mats

    2011-01-10

    A voltammetric electronic tongue is described that was used for multicomponent analysis of drinking water. Measurements were performed on drinking water from a tap and injections of the compounds NaCl, NaN(3), NaHSO(3), ascorbic acid, NaOCl and yeast suspensions could be identified by use of principal component analysis (PCA). A model based on partial least square (PLS) was developed for the simultaneously prediction of identification and concentration of the compounds NaCl, NaHSO(3) and NaOCl. By utilizing this type of non-selective sensor technique for water quality surveillance, it will be feasible to detect a plurality of events without the need of a specific sensor for each type of event. Copyright © 2010 Elsevier B.V. All rights reserved.

  15. Lattice Boltzmann algorithm for continuum multicomponent flow

    Science.gov (United States)

    Halliday, I.; Hollis, A. P.; Care, C. M.

    2007-08-01

    We present a multicomponent lattice Boltzmann simulation for continuum fluid mechanics, paying particular attention to the component segregation part of the underlying algorithm. In the principal result of this paper, the dynamics of a component index, or phase field, is obtained for a segregation method after U. D’Ortona [Phys. Rev. E 51, 3718 (1995)], due to Latva-Kokko and Rothman [Phys. Rev. E 71 056702 (2005)]. The said dynamics accord with a simulation designed to address multicomponent flow in the continuum approximation and underwrite improved simulation performance in two main ways: (i) by reducing the interfacial microcurrent activity considerably and (ii) by facilitating simulational access to regimes of flow with a low capillary number and drop Reynolds number [I. Halliday, R. Law, C. M. Care, and A. Hollis, Phys. Rev. E 73, 056708 (2006)]. The component segregation method studied, used in conjunction with Lishchuk’s method [S. V. Lishchuk, C. M. Care, and I. Halliday, Phys. Rev. E 67, 036701 (2003)], produces an interface, which is distributed in terms of its component index; however, the hydrodynamic boundary conditions which emerge are shown to support the notion of a sharp, unstructured, continuum interface.

  16. Theory and Simulation of Multicomponent Osmotic Systems.

    Science.gov (United States)

    Karunaweera, Sadish; Gee, Moon Bae; Weerasinghe, Samantha; Smith, Paul E

    2012-05-28

    Most cellular processes occur in systems containing a variety of components many of which are open to material exchange. However, computer simulations of biological systems are almost exclusively performed in systems closed to material exchange. In principle, the behavior of biomolecules in open and closed systems will be different. Here, we provide a rigorous framework for the analysis of experimental and simulation data concerning open and closed multicomponent systems using the Kirkwood-Buff (KB) theory of solutions. The results are illustrated using computer simulations for various concentrations of the solutes Gly, Gly(2) and Gly(3) in both open and closed systems, and in the absence or presence of NaCl as a cosolvent. In addition, KB theory is used to help rationalize the aggregation properties of the solutes. Here one observes that the picture of solute association described by the KB integrals, which are directly related to the solution thermodynamics, and that provided by more physical clustering approaches are different. It is argued that the combination of KB theory and simulation data provides a simple and powerful tool for the analysis of complex multicomponent open and closed systems.

  17. Multicomponent Dark Matter in Radiative Seesaw Models

    Directory of Open Access Journals (Sweden)

    Mayumi Aoki

    2017-11-01

    Full Text Available We discuss radiative seesaw models, in which an exact Z2×Z2′ symmetry is imposed. Due to the exact Z2×Z2′ symmetry, neutrino masses are generated at a two-loop level and at least two extra stable electrically neutral particles are predicted. We consider two models: one has a multi-component dark matter system and the other one has a dark radiation in addition to a dark matter. In the multi-component dark matter system, non-standard dark matter annihilation processes exist. We find that they play important roles in determining the relic abundance and also responsible for the monochromatic neutrino lines resulting from the dark matter annihilation process. In the model with the dark radiation, the structure of the Yukawa coupling is considerably constrained and gives an interesting relationship among cosmology, lepton flavor violating decay of the charged leptons and the decay of the inert Higgs bosons.

  18. Multicomponent shearography employing four measurements channels

    Science.gov (United States)

    Groves, Roger M.; James, Stephen W.; Tatam, Ralph P.

    2003-05-01

    Shearography is a full-field non-contact optical technique usually used to measure displacement gradient. Correlation fringes sensitive to displacement gradient are generated by the correlation of speckle interferograms recorded before and after object deformation. Shearography is sensitive to a component of displacement gradient that is determined by the illumination and viewing directions and by the direction of applied shear. The sensitivity of shearography to displacement gradient is determined by the magnitude of the applied shear and by the optical wavelength. In general, to perform a multi-component measurement three components of displacement gradient are measured, by using three illumination, or viewing, directions, followed by a coordinate transformation to an orthogonal coordinate system. The coordinate transformation procedure relies on good quality data from all three measured channels. The adddition of a fourth measurement channel gives duplicate measurements for all the surface displacement gradient components. A good agreement between duplicate measurements gives a high level of confidence in the measurement accuracy. A fourth measurement channel also allows the surface strain to be fully characterized when correlation fringe quality is poorer, or when one of the views is obstructed as a result of the object shape. In this paper a theoretical analysis of multi-component shearography using four measurement channels is given and the issues and benefits are discussed.

  19. Large-format platinum silicide microwave kinetic inductance detectors for optical to near-IR astronomy.

    Science.gov (United States)

    Szypryt, P; Meeker, S R; Coiffard, G; Fruitwala, N; Bumble, B; Ulbricht, G; Walter, A B; Daal, M; Bockstiegel, C; Collura, G; Zobrist, N; Lipartito, I; Mazin, B A

    2017-10-16

    We have fabricated and characterized 10,000 and 20,440 pixel Microwave Kinetic Inductance Detector (MKID) arrays for the Dark-speckle Near-IR Energy-resolved Superconducting Spectrophotometer (DARKNESS) and the MKID Exoplanet Camera (MEC). These instruments are designed to sit behind adaptive optics systems with the goal of directly imaging exoplanets in a 800-1400 nm band. Previous large optical and near-IR MKID arrays were fabricated using substoichiometric titanium nitride (TiN) on a silicon substrate. These arrays, however, suffered from severe non-uniformities in the TiN critical temperature, causing resonances to shift away from their designed values and lowering usable detector yield. We have begun fabricating DARKNESS and MEC arrays using platinum silicide (PtSi) on sapphire instead of TiN. Not only do these arrays have much higher uniformity than the TiN arrays, resulting in higher pixel yields, they have demonstrated better spectral resolution than TiN MKIDs of similar design. PtSi MKIDs also do not display the hot pixel effects seen when illuminating TiN on silicon MKIDs with photons with wavelengths shorter than 1 µm.

  20. Formation of the Thermoelectric Candidate Chromium Silicide by Use of a Pack-Cementation Process

    Science.gov (United States)

    Stathokostopoulos, D.; Chaliampalias, D.; Tarani, E.; Theodorakakos, A.; Giannoulatou, V.; Polymeris, G. S.; Pavlidou, E.; Chrissafis, K.; Hatzikraniotis, E.; Paraskevopoulos, K. M.; Vourlias, G.

    2014-10-01

    Transition-metal silicides are reported to be good candidates for thermoelectric applications because of their thermal and structural stability, high electrical conductivity, and generation of thermoelectric power at elevated temperatures. Chromium disilicide (CrSi2) is a narrow-gap semiconductor and a potential p-type thermoelectric material up to 973 K with a band gap of 0.30 eV. In this work, CrSi2 was formed from Si wafers by use of a two-step, pack-cementation, chemical diffusion method. Several deposition conditions were used to investigate the effect of temperature and donor concentration on the structure of the final products. Scanning electron microscopy and x-ray diffraction analysis were performed for phase identification, and thermal stability was evaluated by means of thermogravimetric measurements. The results showed that after the first step, chromizing, the structure of the products was a mixture of several Cr-Si phases, depending on the donor (Cr) concentration during the deposition process. After the second step, siliconizing, the pure CrSi2 phase was formed as a result of Si enrichment of the initial Cr-Si phases. It was also revealed that this compound has thermoelectric properties similar to those reported elsewhere. Moreover, it was found to have exceptional chemical stability even at temperatures up to 1273 K.

  1. XTEM Studies of Nickel Silicide Growth on Si(100) Using a Ni/Ti Bilayer System

    Science.gov (United States)

    Falke, U.; Fenske, F.; Schulze, S.; Hietschold, M.

    1997-08-01

    Using a Ni/Ti bilayer system on Si(100) substrates we found a preferential growth of epitaxial NiSi2 at reaction temperatures of about 475 °C. This is attributed to the relatively slow Ni transport rate through the Ti layer, which acts as a diffusion rate limiting barrier. Annealing temperatures of 500 °C lead to the formation of mainly orthorhombic NiSi with a small fraction of NiSi2. The silicide phases grow with well defined orientations with respect to the underlying Si lattice for annealing temperatures up to 475 °C. An einem Ni/Ti-Zweischichtsystem auf Si(100)-Substraten fanden wir ein bevorzugtes Wachstum von epitaktischem NiSi2 bei Reaktionstemperaturen von 475 °C. Das wird auf die geringe Transportrate für Ni durch die Ti-Schicht, die als Barriere zur Begrenzung der Diffusionsrate dient, zurückgeführt. Temperaturen von 500 °C führen zur Bildung von hauptsächlich orthorhombischem NiSi und, in geringem Maß, von NiSi2. Bis zu Temperaturen von 475 °C wachsen die Silicidphasen mit definierten Orientierungen in Bezug auf das darunterliegende Si-Gitter.

  2. Mesoscale Evaluation of Titanium Silicide Monolayer as a Cathode Host Material in Lithium-Sulfur Batteries

    Science.gov (United States)

    Liu, Zhixiao; Balbuena, Perla B.; Mukherjee, Partha P.

    2017-09-01

    Two-dimensional materials are competitive candidates as cathode materials in lithium-sulfur batteries for immobilizing soluble polysulfides and mitigating the shuttle effect. In this study, a mesoscale modeling approach, which combines first-principles simulation and kinetic Monte Carlo simulation, is employed to evaluate titanium silicide (Ti2Si and TiSi2) monolayers as potential host materials in lithium-sulfur batteries. It is found that the Ti2Si monolayer has much stronger affinities to Li2S x ( x = 1, 2, 4) molecules than does the TiSi2 monolayer. Also, Ti2Si can facilitate the dissociation of long-chain Li2S4 to LiS2. On the other hand, TiSi2 can only provide a weak chemical interaction for trapping soluble Li2S4. Therefore, the Ti2Si monolayer can be considered to be the next-generation cathode material for lithium-sulfur batteries. Nevertheless, the strong interaction between Ti2Si and Li2S also causes fast surface passivation. How to control the Li2S precipitation on Ti2Si should be answered by future studies.

  3. Crystal structure of the ternary silicide Gd2Re3Si5

    Directory of Open Access Journals (Sweden)

    Vitaliia Fedyna

    2014-12-01

    Full Text Available A single crystal of the title compound, the ternary silicide digadolinium trirhenium pentasilicide, Gd2Re3Si5, was isolated from an alloy of nominal composition Gd20Re30Si50 synthesized by arc melting and investigated by X-ray single-crystal diffraction. Its crystal structure belongs to the U2Mn3Si5 structure type. All atoms in the asymmetric lie on special positions. The Gd site has site symmetry m..; the two Mn atoms have site symmetries m.. and 2.22; the three Si atoms have site symmetries m.., ..2 and 4.. . The coordination polyhedra of the Gd atoms have 21 vertices, while those of the Re atoms are cubooctahedra and 13-vertex polyhedra. The Si atoms are arranged as tricapped trigonal prisms, bicapped square antiprisms, or 11-vertex polyhedra. The crystal structure of the title compound is also related to the structure types CaBe2Ge2 and W5Si3. It can be represented as a stacking of Gd-centred polyhedra of composition [GdSi9]. The Re atoms form infinite chains with an Re—Re distance of 2.78163 (5 Å and isolated squares with an Re—Re distance of 2.9683 (6 Å.

  4. The new ternary silicide ErCo{sub 3}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Dzevenko, Mariya; Bigun, Inna [Ivan Franko National Univ., Lviv (Ukraine). Dept. of Analytical Chemistry

    2014-03-15

    The new ternary silicide ErCo{sub 3}Si{sub 2} adopts the ErRh{sub 3}Si{sub 2} structure type (space group Imma, Pearson code oI24, Z = 4, a = 6.950(1), b = 9.020(2), c = 5.230(1) A, R{sub 1} = 0.0565, wR{sub 2} = 0.0355, 253 F{sup 2} values, 23 variables). It is a deformation derivative of the CeCo{sub 3}B{sub 2} structure type. The coordination of the Er atom shows a normal 20-vertex polyhedron [Er(Si{sub 6}Co{sub 12}Er{sub 2})]. The two similar coordination polyhedra of Co are a distorted icosahedron [Co(Si{sub 4}Co{sub 4}Er{sub 4})], and a distorted icosahedron with one capped face [Co(Si{sub 4}Co{sub 5}Er{sub 4})]. The Si atom is surrounded by the polyhedron [Si(Co{sub 6}Si{sub 2}Er{sub 3})]. (orig.)

  5. The whole-core LEU silicide fuel demonstration in the JMTR

    Energy Technology Data Exchange (ETDEWEB)

    Aso, Tomokazu; Akashi, Kazutomo; Nagao, Yoshiharu [Japan Atomic Energy Research Institute, Ibaraki-ken (Japan)] [and others

    1997-08-01

    The JMTR was fully converted to LEU silicide (U{sub 3}Si{sub 2}) fuel with cadmium wires as burnable absorber in January, 1994. The reduced enrichment program for the JMTR was initiated in 1979, and the conversion to MEU (enrichment ; 45%) aluminide fuel was carried out in 1986 as the first step of the program. The final goal of the program was terminated by the present LEU conversion. This paper describes the results of core physics measurement through the conversion phase from MEU fuel core to LEU fuel core. Measured excess reactivities of the LEU fuel cores are mostly in good agreement with predicted values. Reactivity effect and burnup of cadmium wires, therefore, were proved to be well predicted. Control rod worth in the LEU fuel core is mostly less than that in the MEU fuel core. Shutdown margin was verified to be within the safety limit. There is no significant difference in temperature coefficient of reactivity between the MEU and LEU fuel cores. These results verified that the JMTR was successfully and safely converted to LEU fuel. Extension of the operating cycle period was achieved and reduction of spend fuel elements is expected by using the fuel with high uranium density.

  6. Magnesium silicide nanoparticles as a deoxygenation agent for cancer starvation therapy

    Science.gov (United States)

    Zhang, Chen; Ni, Dalong; Liu, Yanyan; Yao, Heliang; Bu, Wenbo; Shi, Jianlin

    2017-05-01

    A material that rapidly absorbs molecular oxygen (known as an oxygen scavenger or deoxygenation agent (DOA)) has various industrial applications, such as in food preservation, anticorrosion of metal and coal deoxidation. Given that oxygen is vital to cancer growth, to starve tumours through the consumption of intratumoral oxygen is a potentially useful strategy in fighting cancer. Here we show that an injectable polymer-modified magnesium silicide (Mg2Si) nanoparticle can act as a DOA by scavenging oxygen in tumours and form by-products that block tumour capillaries from being reoxygenated. The nanoparticles are prepared by a self-propagating high-temperature synthesis strategy. In the acidic tumour microenvironment, the Mg2Si releases silane, which efficiently reacts with both tissue-dissolved and haemoglobin-bound oxygen to form silicon oxide (SiO2) aggregates. This in situ formation of SiO2 blocks the tumour blood capillaries and prevents tumours from receiving new supplies of oxygen and nutrients.

  7. Analysis of Channel Stress Induced by NiPt-Silicide in Metal-Oxide-Semiconductor Field-Effect Transistor and Its Generation Mechanism

    Science.gov (United States)

    Mizuo, Mariko; Yamaguchi, Tadashi; Kudo, Shuichi; Hirose, Yukinori; Kimura, Hiroshi; Tsuchimoto, Jun-ichi; Hattori, Nobuyoshi

    2013-09-01

    Channel stress induced by NiPt-silicide films in metal-oxide-semiconductor field-effect transistors (MOSFETs) was demonstrated using UV-Raman spectroscopy, and its generation mechanism was revealed. It was possible to accurately measure the channel stress with the Raman test structure. The channel stress depends on the source/drain doping type and the second silicide annealing method. In order to discuss the channel stress generation mechanism, NiPt-silicide microstructure analyses were performed using X-ray diffraction analysis and scanning transmission electron microscopy. The channel stress generation mechanism can be elucidated by the following two factors: the change in the NiSi lattice spacing, which depends on the annealing temperature, and the NiSi crystal orientation. The analyses of these factors are important for controlling channel stress in stress engineering for high-performance transistors.

  8. Synthesis, Characterization, and Mechanism of Formation of Janus-Like Nanoparticles of Tantalum Silicide-Silicon (TaSi2/Si

    Directory of Open Access Journals (Sweden)

    Andrey V. Nomoev

    2014-12-01

    Full Text Available Metal-semiconductor Janus-like nanoparticles with the composition tantalum silicide-silicon (TaSi2/Si were synthesized for the first time by means of an evaporation method utilizing a high-power electron beam. The composition of the synthesized particles were characterized using high-resolution transmission electron microscopy (HRTEM, X-ray diffraction (XRD, selective area electron diffraction (SAED, and energy dispersive X-ray fluorescence (EDX analysis. The system is compared to previously synthesized core-shell type particles in order to show possible differences responsible for the Janus-like structure forming instead of a core-shell architecture. It is proposed that the production of Janus-like as opposed to core-shell or monophase particles occurs due to the ability of Ta and Si to form compounds and the relative content of Ta and Si atoms in the produced vapour. Based on the results, a potential mechanism of formation for the TaSi2/Si nanoparticles is discussed.

  9. Structure Prediction for Multicomponent Materials Using Biminima

    Science.gov (United States)

    Schebarchov, D.; Wales, D. J.

    2014-10-01

    The potential energy surface of a heteroparticle system will contain points that are local minima in both coordinate space and permutation space for the different species. We introduce the term biminima to describe these special points, and we formulate a deterministic scheme for finding them. Our search algorithm generates a converging sequence of particle-identity swaps, each accompanied by a number of local geometry relaxations. For selected binary atomic clusters of size N=NA+NB≤98, convergence to a biminimum on average takes 3NANB relaxations, and the number of biminima grows with the preference for mixing. The new framework unifies continuous and combinatorial optimization, providing a powerful tool for structure prediction and rational design of multicomponent materials.

  10. Fast and accurate multicomponent transport property evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Ern, A. [CERMICS-ENPC, Le Grand (France)]|[Yale Univ., New Haven, CT (United States); Giovangigli, V. [CMAP-CNRS, Palaiseau (France)

    1995-08-01

    We investigate iterative methods for solving linear systems arising from the kinetic theory and providing transport coefficients of dilute polyatomic gas mixtures. These linear systems are obtained in their naturally constrained, singular, and symmetric form, using the formalism of Waldmann and Truebenbacher. The transport coefficients associated with the systems obtained by Monchick, Yun, and Mason are also recovered, if two misprints are corrected in the work of these authors. Using the recent theory of Ern and Giovangigli, all the transport coefficients are expressed as convergent series. By truncating these series, new, accurate, approximate expressions are obtained for all the transport coefficients. Finally, the computational efficiency of the present transport algorithms in multicomponent flow applications is illustrated with several numerical experiments. 38 refs., 12 tabs.

  11. Evaluation of a Mathematical Model for Single Component Adsorption Equilibria with Reference to the Prediction of Multicomponent Adsorption Equilibria

    DEFF Research Database (Denmark)

    Krøll, Annette Elisabeth; Marcussen, Lis

    1997-01-01

    An equilibrium equation for pure component adsorption is compared to experiments and to the vacancy solution theory. The investigated equilibrium equation is a special case of a model for prediction of multicomponent adsorption equilibria.The vacancy solution theory for multicomponent systems...... requires binary experimental data for determining the interaction parameters of the Wilson equation; thus a large number of experiments are needed. The multicomponent equilibria model which is investigated for single component systems in this work is based on pure component data only. This means...... that the requirement for experimental data is reduced significantly.The two adsorption models are compared, using experimental pure gas adsorption data found in literature. The results obtained by the models are in close agreement for pure component equilibria and they give a good description of the experimental data...

  12. Capabilities and limitations of predictive engineering theories for multicomponent adsorption

    DEFF Research Database (Denmark)

    Bartholdy, Sofie; Bjørner, Martin Gamel; Solbraa, Even

    2013-01-01

    ), and the multicomponent potential adsorption theory (MPTA). We have not attempted to improve/modify the methods in any way but have used them in their original form, as the purpose of our work is to illustrate the capabilities and inherent limitations of the models for predicting multicomponent adsorption. We have...... overall better than the multicomponent Langmuir. On the other hand, it is also shown that all the three theories, despite the good results in some cases, have serious limitations particularly for water and to some extent also for certain polar solids. Both strengths and weaknesses of the three models...

  13. Steady-state thermal hydraulic analysis and flow channel blockage accident analysis of JRR-4 silicide LEU core

    Energy Technology Data Exchange (ETDEWEB)

    Kaminaga, Masanori; Yamamoto, Kazuyoshi; Watanabe, Shukichi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1996-09-01

    JRR-4 is a light water moderated and cooled, graphite reflected pool type research reactor using high enriched uranium (HEU) plate-type fuels. Its thermal power is 3.5 MW. The core conversion program from HEU fuel to uranium-silicon-aluminum (U{sub 3}Si{sub 2}-Al) dispersion type fuel (Silicide fuel) with low enriched uranium (LEU) is currently conducted at the JRR-4. This report describes about the steady-state thermal hydraulic analysis results and the flow channel blockage accident analysis result. In JRR-4, there are two operation mode. One is high power operation mode up to 3.5 MW, under forced convection cooling using the primary and the secondary cooling systems. The other is low power operation mode up to 200 kW, under natural circulation cooling between the reactor core and the reactor pool without the primary and the secondary cooling systems. For the analysis of the high power operation mode under forced convection cooling and the flow channel blockage accident, COOLOD code was used. On the other hand, for the analysis of low power operation under natural convection cooling, COOLOD-N2 code was used. From steady-state thermal hydraulic analysis results of both forced and natural convection cooling, fuel temperature, minimum DNBR etc. meet the design criteria and JRR-4 LEU silicide core has enough safety margin under normal operation conditions. Furthermore, flow channel blockage accident analysis results show that one channel flow blockage accident meet the safety criteria for accident conditions which have been established for JRR-4 LEU silicide core. (author)

  14. Multicomponent Burgers and KP Hierarchies, and Solutions from a Matrix Linear System

    OpenAIRE

    Aristophanes Dimakis; Folkert Müller-Hoissen

    2009-01-01

    Via a Cole-Hopf transformation, the multicomponent linear heat hierarchy leads to a multicomponent Burgers hierarchy. We show in particular that any solution of the latter also solves a corresponding multicomponent (potential) KP hierarchy. A generalization of the Cole-Hopf transformation leads to a more general relation between the multicomponent linear heat hierarchy and the multicomponent KP hierarchy. From this results a construction of exact solutions of the latter via a matrix linear sy...

  15. Effects of controlled school-based multi-component model of nutrition and lifestyle interventions on behavior modification, anthropometry and metabolic risk profile of urban Asian Indian adolescents in North India.

    Science.gov (United States)

    Singhal, N; Misra, A; Shah, P; Gulati, S

    2010-04-01

    To study the effectiveness of a multi-component intervention model of nutrition and lifestyle education on behavior modification, anthropometry and metabolic risk profile of urban Asian-Indian adolescents in North India. Two schools matched for student strength and middle socioeconomic strata were randomly allocated to intervention and control group. Changes in nutrition-related knowledge, attitude, lifestyle practices, food frequency and body image of eleventh-grade students (15-17 years) in both schools were tested using a validated questionnaire. Anthropometric and biochemical measurements were made using standard methods. Segmental body composition analysis was carried out using an 8-electrode multifrequency bioelectrical impedance method of body fat estimation. At 6 months follow-up, significant improvement in several domains of knowledge was observed in intervention children (n=99; males=60; females=39) as compared with control school children (n=102; males=61; females=41). In the intervention group, significantly lower proportion of children consumed aerated drinks (15.1%; Pfoods (8.9%; P=0.03), whereas significantly higher proportion brought tiffin (packed lunch) to school (14.9%; P=0.004) and brought a fruit in their tiffin (30.7%; Phabits and lifestyle practices, and resulted in beneficial changes in anthropometric and biochemical profiles of the Asian Indian adolescents. This model should be applied on countrywide basis to prevent obesity and diabetes.

  16. Zeolite H-BEA catalysed multicomponent reaction: One-pot ...

    Indian Academy of Sciences (India)

    BEA catalysed multicomponent reaction: One-pot synthesis of amidoalkyl naphthols - Biologically active drug-like molecules. Sunil R Mistry Rikesh S Joshi Kalpana C Maheria. Volume 123 Issue 4 July 2011 pp 427-432 ...

  17. Detailed finite element method modeling of evaporating multi-component droplets

    Energy Technology Data Exchange (ETDEWEB)

    Diddens, Christian, E-mail: C.Diddens@tue.nl

    2017-07-01

    The evaporation of sessile multi-component droplets is modeled with an axisymmetic finite element method. The model comprises the coupled processes of mixture evaporation, multi-component flow with composition-dependent fluid properties and thermal effects. Based on representative examples of water–glycerol and water–ethanol droplets, regular and chaotic examples of solutal Marangoni flows are discussed. Furthermore, the relevance of the substrate thickness for the evaporative cooling of volatile binary mixture droplets is pointed out. It is shown how the evaporation of the more volatile component can drastically decrease the interface temperature, so that ambient vapor of the less volatile component condenses on the droplet. Finally, results of this model are compared with corresponding results of a lubrication theory model, showing that the application of lubrication theory can cause considerable errors even for moderate contact angles of 40°. - Graphical abstract:.

  18. Linearly decoupled energy-stable numerical methods for multi-component two-phase compressible flow

    KAUST Repository

    Kou, Jisheng

    2017-12-06

    In this paper, for the first time we propose two linear, decoupled, energy-stable numerical schemes for multi-component two-phase compressible flow with a realistic equation of state (e.g. Peng-Robinson equation of state). The methods are constructed based on the scalar auxiliary variable (SAV) approaches for Helmholtz free energy and the intermediate velocities that are designed to decouple the tight relationship between velocity and molar densities. The intermediate velocities are also involved in the discrete momentum equation to ensure a consistency relationship with the mass balance equations. Moreover, we propose a component-wise SAV approach for a multi-component fluid, which requires solving a sequence of linear, separate mass balance equations. We prove that the methods have the unconditional energy-dissipation feature. Numerical results are presented to verify the effectiveness of the proposed methods.

  19. Study on Seismic Control of Power Transmission Tower-Line Coupled System under Multicomponent Excitations

    Directory of Open Access Journals (Sweden)

    Li Tian

    2013-01-01

    Full Text Available The seismic control of power transmission tower-line coupled system subjected to multicomponent excitations is studied in this paper. The schematic of tuned mass damper is introduced, and equations of motion of a system with tuned mass damper under multi-component excitations are proposed. Three-dimensional finite tower-line system models are created based on practical engineering in studying the response of this system without and with control. The time domain analysis takes into account geometric nonlinearity due to finite deformation. The optimal design of the transmission tower-line system with tuned mass damper is obtained according to different mass ratio. The effects of wave travel, coherency loss, and different site conditions on the system without and with control are investigated, respectively.

  20. Critical parameters and pair correlations in confined multicomponent liquids

    Directory of Open Access Journals (Sweden)

    A.N.Vasil'ev

    2006-01-01

    Full Text Available We investigate multicomponent finite-size liquid systems with geometry of plane-parallel layer and cylinder. We consider these systems are being affected by weak external field which causes their anisotropy. For these systems we find pair correlation functions and analyze the effect of space limitation and external field on correlative behaviour of multicomponent liquid. We compare our results with the data for simple and binary finite-size systems.

  1. One-Pot Multicomponent Synthesis of β-Amino Amides.

    Science.gov (United States)

    Huang, Bo; Zeng, Linwei; Shen, Yangyong; Cui, Sunliang

    2017-04-10

    Multicomponent reactions are excellent tools for rapid generation of small molecules with broad chemical diversity and molecular complexity. Herein, a novel one-pot multicomponent synthesis of β-amino amides from aldehydes, anilines, carboxylic acids and ynamides has been successfully developed. This process is practical and efficient to unravel synthetic utility and scalability. Moreover, an isotope labeling reaction was conducted to elucidate a plausible reaction mechanism. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Multicomponent asymmetric reactions mediated by proline lithium salt

    DEFF Research Database (Denmark)

    Renzi, Polyssena; Overgaard, Jacob; Bella, Marco

    2010-01-01

    The multicomponent reaction between proline lithium salt, 2-cyclohexen-1-one and aliphatic aldehydes affords the 4- alkylidene-2-cyclohexen-1-ones, which are interesting fragrances, and bicyclic amino acids that bear four additional stereocenters, obtained as single stereoisomer.......The multicomponent reaction between proline lithium salt, 2-cyclohexen-1-one and aliphatic aldehydes affords the 4- alkylidene-2-cyclohexen-1-ones, which are interesting fragrances, and bicyclic amino acids that bear four additional stereocenters, obtained as single stereoisomer....

  3. Fast, Approximate Solutions for 1D Multicomponent Gas Injection Problems

    DEFF Research Database (Denmark)

    Jessen, Kristian; Wang, Yun; Ermakov, Pavel

    2001-01-01

    This paper presents a new approach for constructing approximate analytical solutions for ID, multicomponent gas displacement problems. The solution to mass conservation equations governing ID dispersion-free flow in which components partition between two equilibrium phases is controlled by the ge......This paper presents a new approach for constructing approximate analytical solutions for ID, multicomponent gas displacement problems. The solution to mass conservation equations governing ID dispersion-free flow in which components partition between two equilibrium phases is controlled...

  4. Multicomponent reactions: A simple and efficient route to heterocyclic phosphonates.

    Science.gov (United States)

    Haji, Mohammad

    2016-01-01

    Multicomponent reactions (MCRs) are one of the most important processes for the preparation of highly functionalized organic compounds in modern synthetic chemistry. As shown in this review, they play an important role in organophosphorus chemistry where phosphorus reagents are used as substrates for the synthesis of a wide range of phosphorylated heterocycles. In this article, an overview about multicomponent reactions used for the synthesis of heterocyclic compounds bearing a phosphonate group on the ring is given.

  5. A mesoscopic reaction rate model for shock initiation of multi-component PBX explosives.

    Science.gov (United States)

    Liu, Y R; Duan, Z P; Zhang, Z Y; Ou, Z C; Huang, F L

    2016-11-05

    The primary goal of this research is to develop a three-term mesoscopic reaction rate model that consists of a hot-spot ignition, a low-pressure slow burning and a high-pressure fast reaction terms for shock initiation of multi-component Plastic Bonded Explosives (PBX). Thereinto, based on the DZK hot-spot model for a single-component PBX explosive, the hot-spot ignition term as well as its reaction rate is obtained through a "mixing rule" of the explosive components; new expressions for both the low-pressure slow burning term and the high-pressure fast reaction term are also obtained by establishing the relationships between the reaction rate of the multi-component PBX explosive and that of its explosive components, based on the low-pressure slow burning term and the high-pressure fast reaction term of a mesoscopic reaction rate model. Furthermore, for verification, the new reaction rate model is incorporated into the DYNA2D code to simulate numerically the shock initiation process of the PBXC03 and the PBXC10 multi-component PBX explosives, and the numerical results of the pressure histories at different Lagrange locations in explosive are found to be in good agreements with previous experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Numerical analysis of multicomponent responses of surface-hole transient electromagnetic method

    Science.gov (United States)

    Meng, Qing-Xin; Hu, Xiang-Yun; Pan, He-Ping; Zhou, Feng

    2017-03-01

    We calculate the multicomponent responses of surface-hole transient electromagnetic method. The methods and models are unsuitable as geoelectric models of conductive surrounding rocks because they are based on regular local targets. We also propose a calculation and analysis scheme based on numerical simulations of the subsurface transient electromagnetic fields. In the modeling of the electromagnetic fields, the forward modeling simulations are performed by using the finite-difference time-domain method and the discrete image method, which combines the Gaver-Stehfest inverse Laplace transform with the Prony method to solve the initial electromagnetic fields. The precision in the iterative computations is ensured by using the transmission boundary conditions. For the response analysis, we customize geoelectric models consisting of near-borehole targets and conductive wall rocks and implement forward modeling simulations. The observed electric fields are converted into induced electromotive force responses using multicomponent observation devices. By comparing the transient electric fields and multicomponent responses under different conditions, we suggest that the multicomponent-induced electromotive force responses are related to the horizontal and vertical gradient variations of the transient electric field at different times. The characteristics of the response are determined by the varying the subsurface transient electromagnetic fields, i.e., diffusion, attenuation and distortion, under different conditions as well as the electromagnetic fields at the observation positions. The calculation and analysis scheme of the response consider the surrounding rocks and the anomalous field of the local targets. It therefore can account for the geological data better than conventional transient field response analysis of local targets.

  7. Quantitative surface spectroscopic analysis of multicomponent polymers

    Science.gov (United States)

    Zhuang, Hengzhong

    Angle-dependent electron spectroscopy for chemical analysis (ESCA) has been successfully used to examine the surface compositional gradient of a multicomponent polymer. However, photoelectron intensities detected at each take-off angle of ESCA measurements are convoluted signals. The convoluted nature of the signal distorts depth profiles for samples having compositional gradients. To recover the true concentration profiles for the samples, a deconvolution program has been described in Chapter 2. The compositional profiles of two classes of important multicomponent polymers, i.e., poly(dimethysiloxane urethane) (PU-DMS) segmented copolymers and fluorinated poly(amide urethane) block copolymers, are achieved using this program. The effects of the polymer molecular structure and the processing variation on its surface compositional profile have been studied. Besides surface composition, it is desirable to know whether the distribution of segment or block lengths at the surface is different than in the bulk, because this aspect of surface structure may lead to properties different than that predicted simply by knowledge of the surface composition and the bulk structure. In Chapter 3, we pioneered the direct determination of the distribution of polydimethylsiloxane (PDMS) segment lengths at the surface of PU-DMS using time-of-flight secondary ion mass spectrometry (SUMS). Exciting preliminary results are provided: for the thick film of PU-DMS with nominal MW of PDMS = 1000, the distribution of the PDMS segment lengths at the surface is nearly identical to that in the bulk, whereas in the case of the thick films of PU-DMS with nominal MW of PDMS = 2400, only those PDMS segments with MW of ca. 1000 preferentially segregated at the surface. As a potential minimal fouling coating or biocompatible cardio-vascular materials, PU-DMS copolymers eventually come into contact with water once in use. Could such an environmental change (from air to aqueous) induce any undesirable

  8. Thin film properties of sputtered niobium silicide on SiO/sub 2/, Si/sub 3/N/sub 4/, and N/sup +/ poly-Si

    Energy Technology Data Exchange (ETDEWEB)

    Chow, T.P.; Lu, W.J.; Steckl, A.J.; Baliga, B.J.

    1986-01-01

    Thin film properties of niobium silicide sputtered from a slightly silicon-rich (Si/Nb approx. = 2.3), cold-pressed alloy target onto SiO/sub 2/, Si/sub 3/N/sub 4/, and n doped poly-Si have been investigated. The structural and compositional properties were examined with x-ray diffraction, Rutherford backscattering spectrometry (RBS), and secondary ion mass spectrometry (SIMS). X-ray diffraction revealed that NbSi/sub 2/ was the predominant silicide phase present, unlike those films reported previously, which contained significant amounts of an intermediate silicide phase (Nb/sub 5/Si/sub 3/). These films had a SiNb ratio of 2.1 as determined from RBS and contained lower levels of common contaminants (such as N/sub 2/, O/sub 2/, and carbon). Isochronal and isothermal annealing showed that the major decrease in resistivity occurred in the first 5 min, and a resistivity value of approx. =70 ..mu cap omega..-cm was obtained after annealing at 1000/sup 0/C. During annealing, phosphorus was found to diffuse through NbSi/sub 2/ rapidly, similar to other refractory silicides.

  9. Ni and Ni Silicides Ohmic Contacts on N-type 6H-SiC with Medium and Low Doping Level

    Directory of Open Access Journals (Sweden)

    S. Cichon

    2011-04-01

    Full Text Available Ni silicides contacts, which are expected to be advantageous contact materials on SiC, were tested in this work. Prepared contact structures were ohmic with low contact resistivity approximately 8×10-4 Ω cm2 after annealing at 960°C as far as the SiC substrate with a medium doping level was concerned, no matter whether Ni or Ni silicides were used. At lower annealing temperatures, only Schottky behavior was observed by means of I-V characteristics measurements. In the case of SiC substrate with a low doping level, the behavior differed. It was necessary to anneal the structures at 1070°C to see ohmic behavior appearing with resistivities reaching 8×10-3 Ω cm2 and this was valid only for Ni and Ni2Si. Raman spectroscopy measurements confirmed formation of single Ni silicides as expected. It was found that Ni silicides can keep as good resistivity as Ni contacts while they interact with SiC in limited way and their undesirable drop-like morphology is expected to be overcome for example with a covering layer.

  10. Formation and thermal stability of Ti-capped Co-silicide from Co-Ta alloy films on (100) Si and polycrystalline silicon

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Min Joo; Choi, Hyo Jick; Ko, Dae Hong [Yonsei Univ., Seoul (Korea, Republic of); Ku, Ja Hum; Choi, Si Young; Fujihara, Kazuyuki [Samsung Electronics Co., Ltd., Yongin (Korea, Republic of); Yang, Cheol Woong [Sungkyunkwan Univ., Suwon (Korea, Republic of)

    2002-04-01

    Co-Ta alloy films were deposited on (100) single-crystalline and polycrystalline silicon substrates by using DC magnetron sputtering. The interfacial reactions between the Co-Ta alloy films and the silicon substrates were investigated in the temperature range of 500 {approx} 820 degree C by using rapid thermal annealing in an N{sub 2} ambient. In contrast to the Co/si system, we observed that the formation of Co-silicide and the transformation from the high resistivity CoSi phase to the low resistivity CoSi{sub 2} phase in the Co-Ta/Si system occurred at higher temperatures than it did in the Co/Si system. The Co-silicide films on Si and poly-Si substrates formed from Co-Ta alloy films maintained low sheet resistance values upon high temperature annealing while those of Co-silicide films from the Co/Si system increased significantly. The improvement in the thermal stability of the Co-silicide films formed from Co-Ta alloy films is due to the formation of Ta-compounds, such as the TaSi{sub 2} phase, at the grain boundaries and at the surfaces of the CoSi{sub 2} films.

  11. Changes in adolescents’ and parents’ intakes of sugar-sweetened beverages, fruit and vegetables after 20 months: results from the HEIA study – a comprehensive, multi-component school-based randomized trial

    Directory of Open Access Journals (Sweden)

    Mona Bjelland

    2015-03-01

    Full Text Available Background: Interventions conducted in school-aged children often involve parents, but few studies have reported effects on parents’ own behaviour as a result of these interventions. Objective: To determine if a multi-component, cluster randomized controlled trial targeting 11–13 year olds influenced their consumption of fruit, vegetables, sugar-sweetened soft drinks and fruit drinks, and to explore whether the results varied by gender, adolescent weight status or parental educational level. A final aim was to assess whether the parents’ intakes were affected by the intervention. Design: Participants were 1,418 adolescents, 849 mothers and 680 fathers. Baseline and post-intervention data from the 20 months intervention study HEIA (HEalth In Adolescents were included. Data were collected assessing frequency (and amounts; beverages only. Results: No significant differences were found at baseline between the intervention and control groups, except for the parental groups (educational level and intakes. At post-intervention, the adolescents in the intervention group consumed fruit more frequently (P<0.001 and had a lower intake of sugar-sweetened fruit drinks compared to the control group (P=0.02. The parental educational level moderated the effect on intake of sugar-sweetened fruit drinks in adolescents. The intake was less frequent in the intervention groups compared to the control groups (P=0.02 for those who had parents with low and medium educational level. Furthermore, the intervention may have affected mothers’ fruit intake and the vegetable intake in higher educated fathers. Conclusion: Favourable effects in favour of the intervention group were found for intake of fruit and sugar-sweetened fruit drinks among the adolescents in the HEIA study. Our results indicate that it is possible to reduce adolescents’ intake of sugar-sweetened fruit drinks across parental education, and potentially affect sub-groups of parents.

  12. Stratigraphic inversion of pre-stack multicomponent data; Inversion stratigraphique multicomposante avant sommation

    Energy Technology Data Exchange (ETDEWEB)

    Agullo, Y.

    2005-09-15

    This thesis present the extension of mono-component seismic pre-stack data stratigraphical inversion method to multicomponent data, with the objective of improving the determination of reservoir elastic parameters. In addiction to the PP pressure waves, the PS converted waves proved their interest for imaging under gas clouds; and their potential is highly significant for the characterization of lithologies, fluids, fractures... Nevertheless the simultaneous use ol PP and PS data remains problematic because of their different the time scales. To jointly use the information contained in PP and PS data, we propose a method in three steps first, mono-component stratigraphic inversions of PP then PS data; second, estimation of the PP to PS time conversion law; third, multicomponent stratigraphic inversion. For the second point, the estimation of the PP to PS conversion law is based on minimizing the difference between the S impedances obtained from PP and PS mono-component stratigraphic inversion. The pre-stack mono-component stratigraphic inversions was adapted to the case of multicomponent data by leaving each type of data in its own time scale in order to avoid the distortion of the seismic wavelet. The results obtained on a realistic synthetic PP-PS case show on one hand that determining PP to PS conversion law (from the mono-component inversion results) is feasible, and on the other hand that the joint inversion of PP and PS data with this conversion law improves the results compared to the mono-component inversion ones. Although this is presented within the framework of the PP and PS multi-component data, the developed methodology adapts directly to PP and SS data for example. (author)

  13. The multi-component model of working memory: explorations in experimental cognitive psychology.

    Science.gov (United States)

    Repovs, G; Baddeley, A

    2006-04-28

    There are a number of ways one can hope to describe and explain cognitive abilities, each of them contributing a unique and valuable perspective. Cognitive psychology tries to develop and test functional accounts of cognitive systems that explain the capacities and properties of cognitive abilities as revealed by empirical data gathered by a range of behavioral experimental paradigms. Much of the research in the cognitive psychology of working memory has been strongly influenced by the multi-component model of working memory [Baddeley AD, Hitch GJ (1974) Working memory. In: Recent advances in learning and motivation, Vol. 8 (Bower GA, ed), pp 47-90. New York: Academic Press; Baddeley AD (1986) Working memory. Oxford, UK: Clarendon Press; Baddeley A. Working memory: Thought and action. Oxford: Oxford University Press, in press]. By expanding the notion of a passive short-term memory to an active system that provides the basis for complex cognitive abilities, the model has opened up numerous questions and new lines of research. In this paper we present the current revision of the multi-component model that encompasses a central executive, two unimodal storage systems: a phonological loop and a visuospatial sketchpad, and a further component, a multimodal store capable of integrating information into unitary episodic representations, termed episodic buffer. We review recent empirical data within experimental cognitive psychology that has shaped the development of the multicomponent model and the understanding of the capacities and properties of working memory. Research based largely on dual-task experimental designs and on neuropsychological evidence has yielded valuable information about the fractionation of working memory into independent stores and processes, the nature of representations in individual stores, the mechanisms of their maintenance and manipulation, the way the components of working memory relate to each other, and the role they play in other

  14. Randomized controlled trial on the effectiveness of a multicomponent intervention on migraine: A study protocol.

    Science.gov (United States)

    Renjith, Vishnu; Pai, Aparna; Radhakrishnan, Kurupath; Nayak, Baby S; Devi, Elsa Sanatombi; Ladd, Elissa; George, Anice

    2017-10-11

    To describe a randomized controlled trial protocol that evaluates the effectiveness of a multicomponent intervention in improving the outcomes (quality of life, disability, intensity, frequency and duration) of patients with migraine. Migraine affects various facets of Quality of Life and results in moderate to high levels of disability among migraineurs. Migraine pain can be intense and unremitting that can interfere with the daily routine and reduce the ability to think and function normally. Many people can lower their risk of a migraine by simply avoiding stress, getting enough sleep, eating regularly and by avoiding triggers. Hence, the present study aims at evaluating the effectiveness of a multicomponent intervention in managing migraine headaches. The multicomponent intervention includes behavioural lifestyle modification program and sessions of pranayama (a form of yogic breathing exercise). The study is a prospective, randomized, controlled, single-blinded trial with parallel arms. The study participants are randomized to intervention and control arms. The participants randomized to the intervention arm would receive the specific multicomponent intervention based on the protocol. The participants in the control arm would receive routine care. They are followed up for 24 weeks and the outcomes are assessed. Various studies report that non-pharmacological therapies and integrative therapies play a major role in the management of migraine headaches. The findings of the study are expected to open up new horizons in health care arena emphasizing the use of non-pharmacological therapy for less focused areas of primary care health problems such as migraine. The trial is registered with the Clinical Trials Registry India (CTRI). The CTRI India is one of the primary registries in the WHO registry network (Ctri.nic.in, ). CTRI reference ID: CTRI/2015/10/006282. © 2017 John Wiley & Sons Ltd.

  15. Principles of Transport in Multicomponent Plasmas

    Science.gov (United States)

    Kaganovich, Igor D.; Franklin, Raoul N.; Demidov, Vladimir I.

    The main principles of transport in multicomponent plasmas are described. Because the bulk plasma is charged positively to keep electrons together with positive ions, negative ions are confined by electrostatic fields inside the plasma and they flow from the plasma periphery toward the center. It is shown that the flow velocity of negative ions is a nonlinear function of the negative ion density. Increasing the negative ion density makes the electron density profile flatter and leads to a decrease of the electric field. Such a nonlinear dependence of the negative ion flow velocity on their density results in the formation of steep gradients of negative ion density, or negative ion fronts. Addition of negative ions makes the plasma afterglow a complex process as well. Typically, two stages of afterglow appear. In the first stage, the negative ions are trapped inside the plasma and only electrons and positive ions can reach the walls. However, at a later time, electrons quickly leave the plasma, and the second stage of afterglow begins, in which electrons are totally absent and an ion-ion plasma forms. During this stage, only the negative and positive ions contribute to the wall fluxes. The complex structure of the radio frequency sheath in strongly electronegative gases is also reviewed. Similar phenomena are observed in dusty plasmas. A possible relevance to ball lightning is discussed.

  16. An evaporation model of multicomponent solution drops

    Science.gov (United States)

    Sartori, Silvana; Liñán, Amable; Lasheras, Juan C.

    2010-11-01

    Solutions of polymers are widely used in the pharmaceutical industry as tablets coatings. These allow controlling the rate at which the drug is delivered, taste or appearance. The coating is performed by spraying and drying the tablets at moderate temperatures. The wetting of the coating solution on the pill's surface depends on the droplet Webber and Re numbers, angle of impact and on the rheological properties of the droplet. We present a model for the evaporation of multicomponent solutions droplets in a hot air environment with temperatures substantially lower than the boiling temperature of the solvent. As the liquid vaporizes from the surface the fluid in the drop increases in concentration, until reaching its saturation point. After saturation, precipitation occurs uniformly within the drop. As the surface regresses, a compacting front formed by the precipitate at its maximum packing density advances into the drop, while the solute continues precipitating uniformly. This porous shell grows fast due to the double effect of surface regression and precipitation. The evaporation rate is determined by the rates at which heat is transported to the droplet surface and at which liquid vapor diffuses away from it. When the drop is fully compacted, the evaporation is drastically reduced.

  17. Developing dimensions for a multicomponent multidisciplinary approach to obesity management: a qualitative study.

    Science.gov (United States)

    Cochrane, Anita J; Dick, Bob; King, Neil A; Hills, Andrew P; Kavanagh, David J

    2017-10-16

    There have been consistent recommendations for multicomponent and multidisciplinary approaches for obesity management. However, there is no clear agreement on the components, disciplines or processes to be considered within such an approach. In this study, we explored multicomponent and multidisciplinary approaches through an examination of knowledge, skills, beliefs, and recommendations of stakeholders involved in obesity management. These stakeholders included researchers, practitioners, educators, and patients. We used qualitative action research methods, including convergent interviewing and observation, to assist the process of inquiry. The consensus was that a multicomponent and multidisciplinary approach should be based on four central meta-components (patient, practitioner, process, and environmental factors), and specific components of these factors were identified. Psychologists, dieticians, exercise physiologists and general practitioners were nominated as key practitioners to be included. A complex condition like obesity requires that multiple components be addressed, and that both patients and multiple disciplines are involved in developing solutions. Implementing cycles of continuous improvement to deal with complexity, instead of trying to control for it, offers an effective way to deal with complex, changing multisystem problems like obesity.

  18. Developing dimensions for a multicomponent multidisciplinary approach to obesity management: a qualitative study

    Directory of Open Access Journals (Sweden)

    Anita J. Cochrane

    2017-10-01

    Full Text Available Abstract Background There have been consistent recommendations for multicomponent and multidisciplinary approaches for obesity management. However, there is no clear agreement on the components, disciplines or processes to be considered within such an approach. In this study, we explored multicomponent and multidisciplinary approaches through an examination of knowledge, skills, beliefs, and recommendations of stakeholders involved in obesity management. These stakeholders included researchers, practitioners, educators, and patients. Methods We used qualitative action research methods, including convergent interviewing and observation, to assist the process of inquiry. Results The consensus was that a multicomponent and multidisciplinary approach should be based on four central meta-components (patient, practitioner, process, and environmental factors, and specific components of these factors were identified. Psychologists, dieticians, exercise physiologists and general practitioners were nominated as key practitioners to be included. Conclusions A complex condition like obesity requires that multiple components be addressed, and that both patients and multiple disciplines are involved in developing solutions. Implementing cycles of continuous improvement to deal with complexity, instead of trying to control for it, offers an effective way to deal with complex, changing multisystem problems like obesity.

  19. The desorption of ammonia and carbon dioxide from multicomponent solutions: I. Model description and development

    Directory of Open Access Journals (Sweden)

    Jotanović Milovan B.

    2002-01-01

    Full Text Available A mathematical model of the desorption process based on the synthesised technological topology of the regeneration process gas components NH3 and CO2, was developed. The logical principle methodology of the mathematical modelling of desorption processes was worked out in detail. The mathematical model of the process, including the following: - The synthesized technological scheme of the desorption of components NH3 and CO2, with all the necessary requirements and limitations of the mathematical model; - The relevant multicomponent systems which exist in the process were defined in which the interphase transformation occurs; - The considered units (aparatus are defined which make up the basic technological topology of the process; - Desorption processes in towers with different types of trays were defined and mathematically described; - The cooling process and condensation of gas phase in a complex multicomponent system was of the gas phase in a complex multicomponent system was defined and mathematically described. Many variants of the process were analyzed by using developed model with the aim of determining the relevant functional dependences between some basic parameters of the process. They will be published in the second part of this study.

  20. Narrow bandgap semiconducting silicides: Intrinsic infrared detectors on a silicon chip

    Science.gov (United States)

    Mahan, John E.

    1990-01-01

    Work done during the final report period is presented. The main technical objective was to achieve epitaxial growth on silicon of two semiconducting silicides, ReSi2 and CrSi2. ReSi2 thin films were grown on (001) silicon wafers by vacuum evaporation of rhenium onto hot substrates in ultrahigh vacuum. The preferred epitaxial relationship was found to be ReSi2(100)/Si(001) with ReSi2(010) parallel to Si(110). The lattice matching consists of a common unit mesh of 120 A(sup 2) area, and a mismatch of 1.8 percent. Transmission electron microscopy revealed the existence of rotation twins corresponding to two distinct but equivalent azimuthal orientations of the common unit mesh. MeV He(+) backscattering spectrometry revealed a minimum channeling yield of 2 percent for an approximately 1,500 A thick film grown at 650 C. Although the lateral dimension of the twins is on the order of 100 A, there is a very high degree of alignment between the ReSi2(100) and the Si(001) planes. Highly oriented films of CrSi2 were grown on (111) silicon substrates, with the matching crystallographic faces being CrSi2(001)/Si(111). The reflection high-energy electron diffraction (RHEED) patterns of the films consist of sharp streaks, symmetrically arranged. The predominant azimuthal orientation of the films was determined to be CrSi2(210) parallel to Si(110). This highly desirable heteroepitaxial relationship has been obtained previously by others; it may be described with a common unit mesh of 51 A(sup 2) and mismatch of 0.3 percent. RHEED also revealed the presence of limited film regions of a competing azimuthal orientation, CrSi2(110) parallel to Si(110). A channeling effect for MeV He(+) ions was not found for this material. Potential commercial applications of this research may be found in silicon-integrated infrared detector arrays. Optical characterizations showed that semiconducting ReSi2 is a strong absorber of infrared radiation, with the adsorption constant increasing above 2 x

  1. Final report on LDRD project: A phenomenological model for multicomponent transport with simultaneous electrochemical reactions in concentrated solutions

    Energy Technology Data Exchange (ETDEWEB)

    CHEN,KEN S.; EVANS,GREGORY H.; LARSON,RICHARD S.; NOBLE,DAVID R.; HOUF,WILLIAM G.

    2000-01-01

    A phenomenological model was developed for multicomponent transport of charged species with simultaneous electrochemical reactions in concentrated solutions, and was applied to model processes in a thermal battery cell. A new general framework was formulated and implemented in GOMA (a multidimensional, multiphysics, finite-element computer code developed and being enhanced at Sandia) for modeling multidimensional, multicomponent transport of neutral and charged species in concentrated solutions. The new framework utilizes the Stefan-Maxwell equations that describe multicomponent diffusion of interacting species using composition-insensitive binary diffusion coefficients. The new GOMA capability for modeling multicomponent transport of neutral species was verified and validated using the model problem of ternary gaseous diffusion in a Stefan tube. The new GOMA-based thermal battery computer model was verified using an idealized battery cell in which concentration gradients are absent; the full model was verified by comparing with that of Bernardi and Newman (1987) and validated using limited thermal battery discharge-performance data from the open literature (Dunning 1981) and from Sandia (Guidotti 1996). Moreover, a new Liquid Chemkin Software Package was developed, which allows the user to handle manly aspects of liquid-phase kinetics, thermodynamics, and transport (particularly in terms of computing properties). Lastly, a Lattice-Boltzmann-based capability was developed for modeling pore- or micro-scale phenomena involving convection, diffusion, and simplified chemistry; this capability was demonstrated by modeling phenomena in the cathode region of a thermal battery cell.

  2. Stratification during evaporative assembly of multicomponent nanoparticle films.

    Science.gov (United States)

    Liu, Xiao; Liu, Weiping; Carr, Amanda J; Santiago Vazquez, Dayalis; Nykypanchuk, Dmytro; Majewski, Pawel W; Routh, Alexander F; Bhatia, Surita R

    2018-04-01

    Multicomponent coatings with layers comprising different functionalities are of interest for a variety of applications, including electronic devices, energy storage, and biomaterials. Rather than creating such a film using multiple deposition steps, we explore a single-step method to create such films by varying the particle Peclet numbers, Pe. Our hypothesis, based on recent theoretical descriptions of the stratification process, is that by varying particle size and evaporation rate such that Pe of large and small particles are above and below unity, we can create stratified films of polymeric and inorganic particles. We present AFM on the surface composition of films comprising poly(styrene) nanoparticles (diameter 25-90 nm) and silica nanoparticles (diameter 8-14 nm). Previous studies on films containing both inorganic and polymeric particles correspond to large Pe values (e.g., 120-460), while we utilize Pe ∼ 0.3-4, enabling us to test theories that have been developed for different regimes of Pe. We demonstrate evidence of stratification and effect of the Pe ratio, although our results agree only qualitatively with theory. Our results also provide validation of recent theoretical descriptions of the film drying process that predict different regimes for large-on-top and small-on-top stratification. Copyright © 2018 Elsevier Inc. All rights reserved.

  3. Analysis of hollow fibre membrane systems for multicomponent gas separation

    KAUST Repository

    Khalilpour, Rajab

    2013-02-01

    This paper analysed the performance of a membrane system over key design/operation parameters. A computation methodology is developed to solve the model of hollow fibre membrane systems for multicomponent gas feeds. The model represented by a nonlinear differential algebraic equation system is solved via a combination of backward differentiation and Gauss-Seidel methods. Natural gas sweetening problem is investigated as a case study. Model parametric analyses of variables, namely feed gas quality, pressure, area, selectivity and permeance, resulted in better understanding of operating and design optima. Particularly, high selectivities and/or permeabilities are shown not to be necessary targets for optimal operation. Rather, a medium selectivity (<60 in the given example) combined with medium permeance (∼300-500×10-10mol/sm2Pa in the given case study) is more advantageous. This model-based membrane systems engineering approach is proposed for the synthesis of efficient and cost-effective multi-stage membrane networks. © 2012 The Institution of Chemical Engineers.

  4. Multicomponent Protein Cage Architectures for Photocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Arunava [Univ. of Alabama, Tuscaloosa, AL (United States); Prevelige, Peter E [Univ. of Alabama, Birmingham, AL (United States)

    2016-01-04

    The primary goal of the project was to develop protein-templated approaches for the synthesis and directed assembly of semiconductor nanomaterials that are efficient for visible light absorption and hydrogen production. In general, visible-light-driven photocatalysis reactions exhibit low quantum efficiency for solar energy conversion primarily because of materials-related issues and limitations, such as the control of the band gap, band structure, photochemical stability, and available reactive surface area of the photocatalyst. Synthesis of multicomponent hierarchical nano-architectures, consisting of semiconductor nanoparticles (NPs) with desired optical properties fabricated to maximize spatial proximity for optimum electron and energy transfer represents an attractive route for addressing the problem. Virus capsids are highly symmetrical, self-assembling protein cage nanoparticles that exist in a range of sizes and symmetries. Selective deposition of inorganic, by design, at specific locations on virus capsids affords precise control over the size, spacing, and assembly of nanomaterials, resulting in uniform and reproducible nano-architectures. We utilized the self-assembling capabilities of the 420 subunit, 60 nm icosahedral, P22 virus capsid to direct the nucleation, growth, and proximity of a range of component materials. Controlled fabrication on the exterior of the temperature stable shell was achieved by genetically encoding specific binding peptides into an externally exposed loop which is displayed on each of the 420 coat protein subunits. Localization of complimentary materials to the interior of the particle was achieved through the use “scaffolding-fusion proteins. The scaffolding domain drives coat protein polymerization resulting in a coat protein shell surrounding a core of approximately 300 scaffolding/fusion molecules. The fusion domain comprises a peptide which specifically binds the semiconductor material of interest.

  5. Multicomponent seismic methods for characterizing gas hydrate occurrences and systems in deep-water Gulf of Mexico

    Science.gov (United States)

    Haines, Seth S.; Lee, Myung W.; Collett, Timothy S.; Hardage, Bob A.

    2011-01-01

    In-situ characterization and quantification of natural gas hydrate occurrences remain critical research directions, whether for energy resource, drilling hazard, or climate-related studies. Marine multicomponent seismic data provide the full seismic wavefield including partial redundancy, and provide a promising set of approaches for gas hydrate characterization. Numerous authors have demonstrated the possibilities of multicomponent data at study sites around the world. We expand on this work by investigating the utility of very densely spaced (10’s of meters) multicomponent receivers (ocean-bottom cables, OBC, or ocean-bottom seismometers, OBS) for gas hydrate studies in the Gulf of Mexico and elsewhere. Advanced processing techniques provide high-resolution compressional-wave (PP) and converted shearwave (PS) reflection images of shallow stratigraphy, as well as P-wave and S-wave velocity estimates at each receiver position. Reflection impedance estimates can help constrain velocity and density, and thus gas hydrate saturation. Further constraint on velocity can be determined through identification of the critical angle and associated phase reversal in both PP and PS wideangle data. We demonstrate these concepts with examples from OBC data from the northeast Green Canyon area and numerically simulated OBS data that are based on properties of known gas hydrate occurrences in the southeast (deeper water) Green Canyon area. These multicomponent data capabilities can provide a wealth of characterization and quantification information that is difficult to obtain with other geophysical methods.

  6. [Effect of multicomponent environment on intestinal permeability of puerarin in biopharmaceutics classification system of Chinese materia medica].

    Science.gov (United States)

    Liu, Yang; Wang, Gang; Dong, Ling; Tang, Ming-Min; Zhu, Mei-Ling; Dong, Hong-Huant; Hou, Cheng-Bo

    2014-12-01

    The evaluation of permeability in biopharmaceutics classification system of Chinese materia medica (CMMBCS) requires multicomponent as a whole in order to conduct research, even in the study of a specific component, should also be put in the multicomponent environment. Based on this principle, the high content components in Gegen Qinlian decoction were used as multicomponent environmental impact factors in the experiment, and the relevant parameters of intestinal permeability about puerarin were measured with using in situ single-pass intestinal perfusion model, to investigate and evaluate the intestinal permeability of puerarin with other high content components. The experimental results showed that different proportions of baicalin, glycyrrhizic acid and berberine had certain influence on intestinal permeability of puerarin, and glycyrrhizic acid could significantly inhibit the intestinal absorption of puerarin, moreover, high concentration of berberine could promote the absorption of puerarin. The research results indicated that the important research ideas of permeability evaluation in biopharmaceutics classification system of Chinese materia medica with fully considering the effects of other ingredients in multicomponent environment.

  7. Rogue waves in the multicomponent Mel'nikov system and multicomponent Schrödinger–Boussinesq system

    Science.gov (United States)

    Sun, Baonan; Lian, Zhan

    2018-02-01

    By virtue of the bilinear method and the KP hierarchy reduction technique, exact explicit rational solutions of the multicomponent Mel'nikov equation and the multicomponent Schrödinger-Boussinesq equation are constructed, which contain multicomponent short waves and single-component long wave. For the multicomponent Mel'nikov equation, the fundamental rational solutions possess two different behaviours: lump and rogue wave. It is shown that the fundamental (simplest) rogue waves are line localised waves which arise from the constant background with a line profile and then disappear into the constant background again. The fundamental line rogue waves can be classified into three: bright, intermediate and dark line rogue waves. Two subclasses of non-fundamental rogue waves, i.e., multirogue waves and higher-order rogue waves are discussed. The multirogue waves describe interaction of several fundamental line rogue waves, in which interesting wave patterns appear in the intermediate time. Higher-order rogue waves exhibit dynamic behaviours that the wave structures start from lump and then retreat back to it. Moreover, by taking the parameter constraints further, general higher-order rogue wave solutions for the multicomponent Schrödinger-Boussinesq system are generated.

  8. Sensor arrays from multicomponent micropatterned nanoparticles and graphene.

    Science.gov (United States)

    Nagelli, Enoch; Naik, Rajesh; Xue, Yuhua; Gao, Yunxiang; Zhang, Mei; Dai, Liming

    2013-11-08

    A novel approach for multicomponent patterning metal/metal oxide nanoparticles on graphene was developed, which involves region-specific plasma treatment, followed by region-selective substrate-enhanced electroless deposition of Au nanoparticles and solution alkalization of ferrous chloride tetrahydrate in the presence of ammonia into Fe3O4 nanoparticles. The resultant Fe3O4/Au multicomponent micropatterned-graphene films were found to be highly selective sensor arrays for detecting low levels of chemical vapor molecules at ppm levels. This novel concept could be applied to the development of various multicomponent patterned nanomaterials for many potential applications, ranging from nanoscale region-specific chemical-/bio-sensor arrays to multifunctional optoelectronic devices.

  9. Oxidation at through-hole defects in fused slurry silicide coated columbium alloys FS-85 and Cb-752

    Science.gov (United States)

    Levine, S. R.

    1973-01-01

    Metal recession and interstitial contamination at 0.08-centimeter-diameter through-hole intentional defects in fused slurry silicide coated FS-85 and Cb-752 columbium alloys were studied to determine the tolerance of these materials to coating defects. Five external pressure reentry simulation exposures to 1320 C and 4.7 x 1,000 N/sq m (maximum pressure) resulted in a consumed metal zone having about twice the initial defect diameter for both alloys with an interstitial contamination zone extending about three to four initial defect diameters. Self-healing occurred in the 1.33 x 10 N/sq m, 1320 C exposures and to a lesser extent in internal pressure reentry cycles to 1320 C and 1.33 x 100 N/sq m (maximum pressure).

  10. Interdiffusion and growth of chromium silicide at the interface of Cr/Si(As) system during rapid thermal annealing

    Energy Technology Data Exchange (ETDEWEB)

    Benkherbache, H. [Universite de M' Sila, (28000) M' Sila (Algeria); Merabet, A., E-mail: merabet_abdelali@yahoo.f [Laboratoire Physique et Mecanique des Materiaux Metalliques, Departement d' O.M.P., Faculte des Sciences de l' Ingenieur, Universite de Setif, (19000) Setif (Algeria)

    2010-02-26

    In this work, the solid-state reaction between a thin film of chromium and silicon has been studied using Rutherford backscattering spectroscopy, X-ray diffraction and the sheet resistance measurements. The thickness of 100 nm chromium layer has been deposited by electronic bombardment on Si (100) substrates, part of them had previously been implanted with arsenic ions of 10{sup 15} at/cm{sup 2} doses and an energy of 100 keV. The samples were heat treated under rapid thermal annealing at 500 {sup o}C for time intervals ranging from 15 to 60 s. The rapid thermal annealing leads to a reaction at the interface Cr/Si inducing the formation and the growth of the unique silicide CrSi{sub 2}, but no other phase can be detected. For samples implanted with arsenic, the saturation value of the sheet resistance is approximately 1.5 times higher than for the non-implanted case.

  11. MULTICOMPONENT SOLUTION FOR LOCAL ANAESTHESIA IN OPERATIONS ON EXTREMITIES

    Directory of Open Access Journals (Sweden)

    V.I. Sobolev

    2008-03-01

    Full Text Available The analysis of the results of local anaesthesia (LA in 89 patients aged 18 to 68 years with trauma and diseases of extremities has been carried out. The efficiency of perineural injected multicomponent solution of clonidine added to conventional mixture oflidocaine and phentanyl has been assessed. The multicomponent method has significantly prolonged the duration of local anaesthesia of 1% lidocaine solution providing reliable anaesthesia of plexus and peripheral nerves alongside the sufficient regional myoplegia and prolonged postoperative anesthetization. When there is no need of deep myoplegia Hallows to lower the concentration of lidocaine solution twofold, maintaining its efficiency, and to realize local anaesthesia of patients with high risk.

  12. Composite and multicomponent end points in clinical trials.

    Science.gov (United States)

    Sankoh, Abdul J; Li, Haihong; D'Agostino, Ralph B

    2017-12-10

    In January 2017, the FDA released the draft guidance to industry on multiple end points in clinical trials. A class of multiplicity problems arise from the testing of individual or subset of components of a composite or multicomponent end point. This commentary attempts to further clarify these problems. Discussions include general consideration on the use of the composite and multicomponent end points, situations when multiplicity adjustments are needed, and the relevant multiple testing methods. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  13. The Single Pass Multi-component Harvester

    Energy Technology Data Exchange (ETDEWEB)

    Reed Hoskinson; John R. Hess

    2004-08-01

    collection must be economically advantageous to the producer. To do all that, a single pass multi-component harvester system is most desirable. Results from our first prototype suggest that current combines probably do adequate threshing and that a separate chassis can be developed that does additional separation and that is economically feasible.

  14. Design for robustness of unique, multi-component engineering systems

    Science.gov (United States)

    Shelton, Kenneth A.

    2007-12-01

    The purpose of this research is to advance the science of conceptual designing for robustness in unique, multi-component engineering systems. Robustness is herein defined as the ability of an engineering system to operate within a desired performance range even if the actual configuration has differences from specifications within specified tolerances. These differences are caused by three sources, namely manufacturing errors, system degradation (operational wear and tear), and parts availability. Unique, multi-component engineering systems are defined as systems produced in unique or very small production numbers. They typically have design and manufacturing costs on the order of billions of dollars, and have multiple, competing performance objectives. Design time for these systems must be minimized due to competition, high manpower costs, long manufacturing times, technology obsolescence, and limited available manpower expertise. Most importantly, design mistakes cannot be easily corrected after the systems are operational. For all these reasons, robustness of these systems is absolutely critical. This research examines the space satellite industry in particular. Although inherent robustness assurance is absolutely critical, it is difficult to achieve in practice. The current state of the art for robustness in the industry is to overdesign components and subsystems with redundancy and margin. The shortfall is that it is not known if the added margins were either necessary or sufficient given the risk management preferences of the designer or engineering system customer. To address this shortcoming, new assessment criteria to evaluate robustness in design concepts have been developed. The criteria are comprised of the "Value Distance", addressing manufacturing errors and system degradation, and "Component Distance", addressing parts availability. They are based on an evolutionary computation format that uses a string of alleles to describe the components in the

  15. Development of responder criteria for multicomponent non-pharmacological treatment in fibromyalgia.

    Science.gov (United States)

    Vervoort, Vera M; Vriezekolk, Johanna E; van den Ende, Cornelia H

    2017-01-01

    There is a need to identify individual treatment success in patients with fibromyalgia (FM) who received non-pharmacological treatment. The present study described responder criteria for multicomponent non-pharmacological treatment in FM, and estimated and compared their sensitivity and specificity. Candidate responder sets were 1) identified in literature; and 2) formulated by expert group consensus. All candidate responder sets were tested in a cohort of 129 patients with FM receiving multicomponent non-pharmacological treatment. We used two gold standards (both therapist's and patient's perspective), assessed at six months after the start of treatment. Seven responder sets were defined (three identified in literature and four formulated by expert group consensus), and comprised combinations of domains of 1) pain; 2) fatigue; 3) patient global assessment (PGA); 4) illness perceptions; 5) limitations in activities of daily living (ADL); and 6) sleep. The sensitivity and specificity of literature-based responder sets (n=3) ranged between 17%-99% and 15%-95% respectively, whereas the expert-based responder sets (n=4) performed slightly better with regard to sensitivity (range 41%-81%) and specificity (range 50%-96%). Of the literature-based responder sets the OMERACT-OARSI responder set with patient's gold standard performed best (sensitivity 63%, specificity 75% and ROC area = 0.69). Overall, the expert-based responder set comprising the domains illness perceptions and limitations in ADL with patient's gold standard performed best (sensitivity 47%, specificity 96% and ROC area = 0.71). We defined sets of responder criteria for multicomponent non-pharmacological treatment in fibromyalgia. Further research should focus on the validation of those sets with acceptable performance.

  16. Modeling of Strain Effects in Multi-component Semiconductors

    Science.gov (United States)

    Arjmand, Mehrdad

    Strain affects the properties of crystalline material by changing the atomic symmetry. Controlling the strain in semiconductors helps to tune properties of material and design new material. For instance, strained semiconductor heterostructures have improved the efficiency of traditional solar cells remarkably. Another example of strain application is in electronic devices. Strained heterostructure nanowires provide a better control on electronic properties of gates used in transistors. Gate-all-around nanowires are promising candidates to power microprocessors in future. Strain is also used to make quantum dot structures from semiconductors. These quantum dots are used in quantum computing, diode lasers and sensors. Once the stored strain in a structure reaches a critical limit, it relaxes by triggering different phenomena in the structure. For instance, strain causes morphology change, plastic deformation, phase separation and intermixing, fracture, buckling, bulging and peeling. In order to use these strained structures for design purposes, it is critical to understand these different relaxation phenomena and be able to control them. Modeling provides a powerful framework to understand different relaxation mechanisms and provide guidance to control these strain induced phenomena. In this thesis, I have developed a continuum based model called "phase field" to study morphology change, plastic deformation and phase separation in multi-component semiconductors during growth and annealing processes. The advantage of phase field approach compared to some other modeling techniques is that it includes the effects of both thermodynamics and kinetics. Also, I have developed a continuum based elasto-plasticity model to study the effects of plastic relaxation in semiconductor nanowires. This model can particularly be useful for piezoelectric and surface stability analysis of nanowires.

  17. Tools for efficient design of multicomponent separation processes

    Science.gov (United States)

    Huff, Joshua Lee

    Separations account for as much as 85% of plant operating costs in chemical production; it is therefore important that they be designed with energy efficiency in mind. This can only be achieved if two things are achieved: the complete space of design options is known, and an accurate way is developed to compare all possible design options. For both membrane separation cascades and multicomponent distillation configurations, this dissertation explores methods for designing energy efficient separations. The operating cost of membranes used in production of nitrogen gas from air is largely driven by the compressors required to maintain a pressure differential. Optimization of the total compressor duty can reveal an ideal cascade arrangement and set of operating conditions for a given feed and recovery. With this optimization technique in hand, it is then possible to examine the effect of introducing extra stages to form intermediate stage cascades. Furthermore, the effect of varying the recovery of the nitrogen stream can be examined to discover a U-shaped relationship between recovery and energy requirement. Conventional distillation configurations use n -- 1 distillation columns to separate a multicomponent feed mixture into pure products. Past research has identified a way to quickly and algorithmically generate the complete ranklist of regular-column configurations using an integer programming formulation called the matrix method. Using this method, a formulation is here presented for the complete nonlinear programming problem which, for a given configuration, can ensure the globally minimum vapor duty of the configuration. Furthermore, a set of nonlinear equations designed to represent the capital and operating costs of the system are described. The need for a global optimization algorithm in the formulation of the cost product is demonstrated by comparison with a two-stage search algorithm; in addition, the cost formulation is compared to that of the vapor duty

  18. Effect of P{sup +} ions on the microstructure and the nature of the formed silicides in the Cr/Si system

    Energy Technology Data Exchange (ETDEWEB)

    Mirouh, K. [Laboratoire des Couches Minces et Interfaces, Departement de Physique, Universite de Constantine, Campus chaab Errassas, Constantine 25000 (Algeria)]. E-mail: mirouh.kamel@caramail.com; Bouabellou, A. [Laboratoire des Couches Minces et Interfaces, Departement de Physique, Universite de Constantine, Campus chaab Errassas, Constantine 25000 (Algeria); Halimi, R. [Laboratoire des Couches Minces et Interfaces, Departement de Physique, Universite de Constantine, Campus chaab Errassas, Constantine 25000 (Algeria); Karaali, A. [Laboratoire des Couches Minces et Interfaces, Departement de Physique, Universite de Constantine, Campus chaab Errassas, Constantine 25000 (Algeria); Mosser, A. [IPCMS-GSI, 23 rue du Loess, F-67037 Strasbourg (France); Ehret, G. [IPCMS-GSI, 23 rue du Loess, F-67037 Strasbourg (France)

    2004-12-15

    The effect of the phosphorus on the microstructure and on the nature of the formed silicide in the annealed Cr/Si system is studied. The chromium layer is deposited by electron gun evaporation on the undoped and P{sup +} doped monocrystalline silicon. Cross-sectional transmission electron microscopy (XTEM) investigation of the samples, annealed at 475 deg. C for different times, shows that the presence of phosphorus leads to the formation of CrSi{sub 2} disilicide, free of defects, and Cr{sub 3}Si silicide for lower and higher annealing times, respectively. In the case of undoped substrate the formed CrSi{sub 2} disilicide is stable and contains a high concentration of stacking faults when the chromium is partially consumed.

  19. Vertically grown multiwalled carbon nanotube anode and nickel silicide integrated high performance microsized (1.25 μl) microbial fuel cell

    KAUST Repository

    Mink, Justine E.

    2012-02-08

    Microbial fuel cells (MFCs) are an environmentally friendly method for water purification and self-sustained electricity generation using microorganisms. Microsized MFCs can also be a useful power source for lab-on-a-chip and similar integrated devices. We fabricated a 1.25 μL microsized MFC containing an anode of vertically aligned, forest type multiwalled carbon nanotubes (MWCNTs) with a nickel silicide (NiSi) contact area that produced 197 mA/m 2 of current density and 392 mW/m 3 of power density. The MWCNTs increased the anode surface-to-volume ratio, which improved the ability of the microorganisms to couple and transfer electrons to the anode. The use of nickel silicide also helped to boost the output current by providing a low resistance contact area to more efficiently shuttle electrons from the anode out of the device. © 2012 American Chemical Society.

  20. Quantitative phase-field model for phase transformations in multi-component alloys

    Energy Technology Data Exchange (ETDEWEB)

    Choudhury, Abhik Narayan

    2013-08-01

    Phase-field modeling has spread to a variety of applications involving phase transformations. While the method has wide applicability, derivation of quantitative predictions requires deeper understanding of the coupling between the system and model parameters. The present work highlights a novel phase-field model based on a grand-potential formalism allowing for an elegant and efficient solution to the problems in phase transformations. In particular, applications involving single and multi-phase, multi-component solidification have been investigated and a thorough study into the quantitative modeling of these problems have been examined.

  1. One-pot multi-component green synthesis of highly substituted piperidines

    Directory of Open Access Journals (Sweden)

    Ravi Bansal

    2017-05-01

    Full Text Available An effective and expeditious method of the synthesis of a highly functionalized piperidines, catalyzed by nontoxic, recyclable and environment friendly sodium lauryl sulfate (SLS, via one-pot multi-component condensation of aldehydes, amines and β-ketoesters in water at room temperature, has been developed. This new protocol has advantages such as moderate to high yields of products obtained after simple post reaction workup. Structure of the synthesized compounds 4a–4j have been elucidated based on the 1H NMR, 13C NMR, FT-IR spectroscopy and elemental analysis.

  2. Multi-component Lattice Boltzmann simulation of the hydrodynamics in drip emitters

    Directory of Open Access Journals (Sweden)

    Giacomo Falcucci

    2017-09-01

    Full Text Available In this paper, we propose a fast and efficient numerical technique based on the Lattice Boltzmann method (LBM to model the flow through a reference drip emitter geometry. The aim of the study is to demonstrate the applicability of the LBM as a reliable simulation tool for the hydraulic optimisation of irrigation systems. Results for the water flow through a rectangular drip emitter are in good agreement with literature numerical and experimental data. Furthermore, we demonstrate the feasibility of the proposed model to simulate a multi-component flow that could be used to simulate the presence of additives, contaminants, and suspended particles.

  3. Dark-matter decay as a complementary probe of multicomponent dark sectors.

    Science.gov (United States)

    Dienes, Keith R; Kumar, Jason; Thomas, Brooks; Yaylali, David

    2015-02-06

    In single-component theories of dark matter, the 2→2 amplitudes for dark-matter production, annihilation, and scattering can be related to each other through various crossing symmetries. The detection techniques based on these processes are thus complementary. However, multicomponent theories exhibit an additional direction for dark-matter complementarity: the possibility of dark-matter decay from heavier to lighter components. We discuss how this new detection channel may be correlated with the others, and demonstrate that the enhanced complementarity which emerges can be an important ingredient in probing and constraining the parameter spaces of such models.

  4. Efficacy of Self-Instructional Talk and Multicomponent Techniques in ...

    African Journals Online (AJOL)

    Efficacy of Self-Instructional Talk and Multicomponent Techniques in Reducing Occupational Stress among Teachers in Command Schools in Nigeria. ... The treatment groups were exposed to eight weeks of training sessions while the participants in the control were not exposed to any treatment, Teacher Stress Scale was ...

  5. On new electromagnetic waves in a multicomponent insulator

    NARCIS (Netherlands)

    Dubovik, V. M.

    The dispersion equation for additional transverse electromagnetic waves in a multicomponent amorphous insulator is analyzed in the vicinity of a narrow absorption line. Such waves can be excited due to spatial dispersion associated with fluctuation of the polarizability of insulator molecules. The

  6. Nucleation and growth of a multicomponent metallic glass

    Indian Academy of Sciences (India)

    Unknown

    Nucleation and growth of a multicomponent metallic glass. @. ARUN PRATAP*, K G RAVAL†, AJAY GUPTA‡ and S K KULKARNI#. Applied Physics Department, Faculty of Technology and Engineering, M S University of Baroda, Baroda 390 001, India. †Electronics Department, Narmada College of Science and ...

  7. Theory of sheath in a collisional multi-component plasma

    Indian Academy of Sciences (India)

    The aim of this brief report is to study the behaviour of sheath structure in a multicomponent plasma with dust-neutral collisions. The plasma consists of electrons, ions, micron size negatively charged dust particles and neutrals. The sheath-edge potential and sheath width are calculated for collisionally dominated sheath.

  8. The Landau-Placzek ratio for multicomponent fluids

    NARCIS (Netherlands)

    Lekkerkerker, H.N.W.; Laidlaw, W.G.

    1972-01-01

    Under the assumption that the coupling between the sound modes and modes associated with heat and mass diffusion can be neglected, an expression for the Landau-Placzek ratio for multicomponent fluids is derived using thermodynamic fluctuation theory. Applications of the general formula to ternary

  9. Dynamics of solitons in multicomponent long wave–short wave ...

    Indian Academy of Sciences (India)

    Long wave–short wave resonance interaction; Hirota's bilinearization method; bright and dark solitons; soliton collision. ... different areas of science and technology [1]. Particularly, higher-dimensional multicomponent systems admit various localized structures like solitons, vortex solitons, dromions, and so on. These multi-.

  10. Spinodal decomposition in multicomponent fluid mixtures: A molecular dynamics study

    DEFF Research Database (Denmark)

    Laradji, Mohamed; Mouritsen, Ole G.; Toxvaerd, Søren

    1996-01-01

    parameter, leading to large growth-exponent values, the dynamics in multicomponent fluids (p = 3, 4) is found to follow a t(1/3) growth law, where t is time, which we relate to a long-wavelength evaporation-condensation process. These findings, which are proposed to be consequences of the compact domain...

  11. A versatile multi-component one-pot thiazole synthesis

    NARCIS (Netherlands)

    Heck, Stefan; Dömling, Alexander

    2000-01-01

    A new multi-component reaction (MCR) of oxo components, primary amines, thiocarboxylic acids and a special isocyanide yielding 2,4-disubstituted thiazoles is described. This one-pot, one-step reaction is an alternative to current methods of thiazole ring formation and can be applied to combinatorial

  12. Zeolite H-BEA catalysed multicomponent reaction: One-pot ...

    Indian Academy of Sciences (India)

    ventional technologies, mainly environmental pollution and corrosion of the equipment (figure 1). Multicomponent reactions (MCRs) have attracted considerable ... 7070 H. The purity of the substances and the progress of the reactions were monitored by TLC on silica gel. 2.2 Procedure for the synthesis of amidoalkyl.

  13. Multicomponent Linguistic Awareness Intervention for At-Risk Kindergarteners

    Science.gov (United States)

    Zoski, Jennifer L.; Erickson, Karen A.

    2017-01-01

    This study investigated the feasibility of multicomponent linguistic awareness intervention on early literacy skills in at-risk kindergarteners. Seventeen students, including native Spanish-speaking English language learners (n = 10) and native English speakers (n = 7), participated in a 6-week small-group therapy program, for a total of 12…

  14. Criteria for Modeling in LES of Multicomponent Fuel Flow

    Science.gov (United States)

    Bellan, Josette; Selle, Laurent

    2009-01-01

    A report presents a study addressing the question of which large-eddy simulation (LES) equations are appropriate for modeling the flow of evaporating drops of a multicomponent liquid in a gas (e.g., a spray of kerosene or diesel fuel in air). The LES equations are obtained from the direct numerical simulation (DNS) equations in which the solution is computed at all flow length scales, by applying a spatial low-pass filter. Thus, in LES the small scales are removed and replaced by terms that cannot be computed from the LES solution and instead must be modeled to retain the effect of the small scales into the equations. The mathematical form of these models is a subject of contemporary research. For a single-component liquid, there is only one LES formulation, but this study revealed that for a multicomponent liquid, there are two non-equivalent LES formulations for the conservation equations describing the composition of the vapor. Criteria were proposed for selecting the multicomponent LES formulation that gives the best accuracy and increased computational efficiency. These criteria were applied in examination of filtered DNS databases to compute the terms in the LES equations. The DNS databases are from mixing layers of diesel and kerosene fuels. The comparisons resulted in the selection of one of the multicomponent LES formulations as the most promising with respect to all criteria.

  15. Multicomponent Droplet Evaporation on Chemical Micro-Patterned Surfaces.

    Science.gov (United States)

    He, Minghao; Liao, Dong; Qiu, Huihe

    2017-02-03

    The evaporation and dynamics of a multicomponent droplet on a heated chemical patterned surface were presented. Comparing to the evaporation process of a multicomponent droplet on a homogenous surface, it is found that the chemical patterned surface can not only enhance evaporation by elongating the contact line, but also change the evaporation process from three regimes for the homogenous surface including constant contact line (CCL) regime, constant contact angle (CCA) regime and mix mode (MM) to two regimes, i.e. constant contact line (CCL) and moving contact line (MCL) regimes. The mechanism of contact line stepwise movement in MCL regimes in the microscopic range is investigated in detail. In addition, an improved local force model on the contact line was employed for analyzing the critical receding contact angles on homogenous and patterned surfaces. The analysis results agree well for both surfaces, and confirm that the transition from CCL to MCL regimes indicated droplet composition changes from multicomponent to monocomponent, providing an important metric to predict and control the dynamic behavior and composition of a multicomponent droplet using a patterned surface.

  16. Kelvin Equation for a Non-Ideal Multicomponent Mixture

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Stenby, Erling Halfdan

    1997-01-01

    The Kelvin equation is generalized by application to a case of a multicomponent non-ideal mixture. Such a generalization is necessary in order to describe the two-phase equilibrium in a capillary medium with respect to both normal and retrograde condensation. The equation obtained is applied...

  17. Drying of liquid food droplets : enzyme inactivation and multicomponent diffusion

    NARCIS (Netherlands)

    Meerdink, G.

    1993-01-01

    In this thesis the drying of liquid food droplets is studied from three different points of view: drying kinetics, enzyme inactivation and multicomponent diffusion. Mathematical models are developed and validated experimentally.

    Drying experiments are performed with suspended

  18. Adsorption of a multicomponent rhamnolipid surfactant to soil

    NARCIS (Netherlands)

    Noordman, Wouter H.; Brusseau, Mark L.; Janssen, Dick B.

    2000-01-01

    The adsorption of rhamnolipid, a multicomponent biosurfactant with potential application in soil remediation, to two sandy soils was investigated using batch and column studies. The surfactant mixture contained six anionic components differing in lipid chain length and number of rhamnose moieties.

  19. The study of antioxidant activity of multicomponent vegetable puree

    Directory of Open Access Journals (Sweden)

    A. V. Trushechkin

    2013-01-01

    Full Text Available Studied the antioxidant activity of multicomponent vegetable puree, consisting of 20 % of eggplant, 20 % of zucchini, 16 % of bell peppers, 15 % of tomatoes, 14 % of carrots, 10 % of onions and 5 % of garlic. These results showed an increase in concentration of the antioxidant activity of puree and, consequently, increase its quality.

  20. Behavior of silicon in nitric media. Application to uranium silicides fuels reprocessing; Comportement du silicium en milieu nitrique. Application au retraitement des combustibles siliciures d'uranium

    Energy Technology Data Exchange (ETDEWEB)

    Cheroux, L

    2001-07-01

    Uranium silicides are used in some research reactors. Reprocessing them is a solution for their cycle end. A list of reprocessing scenarios has been set the most realistic being a nitric dissolution close to the classic spent fuel reprocessing. This uranium silicide fuel contains a lot of silicon and few things are known about polymerization of silicic acid in concentrated nitric acid. The study of this polymerization allows to point out the main parameters: acidity, temperature, silicon concentration. The presence of aluminum seems to speed up heavily the polymerization. It has been impossible to find an analytical technique smart and fast enough to characterize the first steps of silicic acid polymerization. However the action of silicic species on emulsions stabilization formed by mixing them with an organic phase containing TBP has been studied, Silicon slows down the phase separation by means of oligomeric species forming complex with TBP. The existence of these intermediate species is short and heating can avoid any stabilization. When non irradiated uranium silicide fuel is attacked by a nitric solution, aluminum and uranium are quickly dissolved whereas silicon mainly stands in solid state. That builds a gangue of hydrated silica around the uranium silicide particulates without preventing uranium dissolution. A small part of silicon passes into the solution and polymerize towards the highly poly-condensed forms, just 2% of initial silicon is still in molecular form at the end of the dissolution. A thermal treatment of the fuel element, by forming inter-metallic phases U-Al-Si, allows the whole silicon to pass into the solution and next to precipitate. The behavior of silicon in spent fuels should be between these two situations. (author)

  1. Morphological and electrical properties of self-assembled iron silicide nanoparticles on Si(0 0 1) and Si(1 1 1) substrates

    Energy Technology Data Exchange (ETDEWEB)

    Molnár, G., E-mail: molnargy@mfa.kfki.hu; Dózsa, L.; Erdélyi, R.; Vértesy, Z.; Osváth, Z.

    2015-12-01

    Highlights: • Epitaxial iron silicide nanostructures were grown on Si(1 1 1) and Si(0 0 1) substrates. • The size and shape of the particles are the function of the thickness and annealing. • The local current–voltage characteristics were measured by conductive AFM. • The different size and shape nanoparticles show similar I–V characteristics. • The tip current is dominated in few nm size sites, visible in the AFM phase image. - Abstract: Epitaxial iron silicide nanostructures are grown by solid phase epitaxy on Si(0 0 1) and Si(1 1 1), and by reactive deposition epitaxy on Si(0 0 1) substrates. The formation process is monitored by reflection high-energy electron diffraction. The morphology, size, and electrical properties of the nanoparticles are investigated by scanning electron microscopy, by electrically active scanning probe microscopy, and by confocal Raman spectroscopy. The results show that the shape, size, orientation, and density of the nanoobjects can be tuned by self-assembly, controlled by the lattice misfit between the substrates and iron silicides. The size distribution and shape of the grown nanoparticles depend on the substrate orientation, on the initial thickness of the evaporated iron, on the temperature and time of the annealing, and on the preparation method. The so-called Ostwald ripening phenomena, which state that the bigger objects develop at the expense of smaller ones, controls the density of the nanoparticles. Raman spectra show the bigger objects do not contain β-FeSi{sub 2} phase. The different shape nanoparticles exhibit small, about 100 mV barrier compared to the surrounding silicon. The local leakage current of the samples measured by conductive AFM using a Pt coated Si tip is localized in a few nanometers size sites, and the sites which we assume are very small silicide nanoparticles or point defects.

  2. Cohesive, multicomponent, dense powder flow characterization by NIR.

    Science.gov (United States)

    Benedetti, C; Abatzoglou, N; Simard, J-S; McDermott, L; Léonard, G; Cartilier, L

    2007-05-24

    Non-aerated powder flows are frequently encountered in downstream pharmaceutical processes. Such flows occur at the entrance of powder compression units, and their characteristics are of great interest because any powder agglomeration or segregation can be detrimental to the quality of the final solid oral dosage form. This work was aimed at developing a process analytical technology (PAT) method, based on near-infrared spectroscopy (NIR) for the in-line powder flow characterization of pharmaceutical formulations. An Ibuprofen drug formulation was selected for study. A bench-scale hopper system was assembled to monitor powder flow behaviour. An in-line commercial NIR Axsun spectrometer and probe were chosen to collect in-line spectral data on dense, multicomponent, non-aerated powder flow prior to compression. Spectra were collected on flowing mannitol and pharmaceutical product blends. A specially designed, non-contact sampling interface allowed the collection of representative process powder flow spectra without affecting blend uniformity. A partial least squares chemometric model was developed for laboratory-prepared samples, to quantitatively determine the flowing powder's active pharmaceutical ingredient (API) level. Static sample spectra and flowing pure mannitol spectra proved to have a high degree of reproducibility. The model's standard error of calibration was 2.95% of the API level with a R2 of 0.991. Flowing blend powder spectra and API estimates showed variations consistent with those seen in model samples. The average values for flowing pharmaceutical blends were close to the API concentration, indicating that the proposed procedure was statistically acceptable. The model is considered very promising, and some improvements would lead to its final acceptance at production scale as a PAT tool.

  3. A Multicomponent Fall Prevention Strategy Reduces Falls at an Academic Medical Center.

    Science.gov (United States)

    France, Dan; Slayton, Jenny; Moore, Sonya; Domenico, Henry; Matthews, Julia; Steaban, Robin L; Choma, Neesha

    2017-09-01

    While the reduction in fall rates has not kept pace with the reduction of other hospital-acquired conditions, patient safety research and quality improvement (QI) initiatives at the system and hospital levels have achieved positive results and provide insights into potentially effective risk reduction strategies. An academic medical center developed a QI-based multicomponent strategy for fall prevention and pilot tested it for six months in three high-risk units-the Neuroscience Acute Care Unit, the Myelosuppression/Stem Cell Transplant Unit, and the Acute Care for the Elderly Unit-before implementing and evaluating the strategy hospitalwide. The multicomponent fall strategy was evaluated using a pre-post study design. The main outcome measures were falls and falls with harm measured in events per 1,000 patient-days. Fall rates were monitored and compared for three classes of falls: (1) accidental, (2) anticipated physiologic, and (3) unanticipated physiologic. Statistical process control charts showed that the pilot units had achieved significant reductions in falls with harm during the last five months of data collection. Wald test and segmented regression analyses revealed significant improvements in pooled postintervention fall rates, stratified by fall type. The hospitalwide implementation of the program resulted in a 47% overall reduction in falls in the postintervention period. A fall prevention strategy that targeted the spectrum of risk factors produced measurable improvement in fall rates and rates of patient harm. Hospitals must continue developing, rigorously testing, and sharing their results and experiences in implementing and sustaining multicomponent fall prevention strategies. Copyright © 2017 The Joint Commission. Published by Elsevier Inc. All rights reserved.

  4. On-line dynamic monitoring automotive exhausts: using BP-ANN for distinguishing multi-components

    Science.gov (United States)

    Zhao, Yudi; Wei, Ruyi; Liu, Xuebin

    2017-10-01

    Remote sensing-Fourier Transform infrared spectroscopy (RS-FTIR) is one of the most important technologies in atmospheric pollutant monitoring. It is very appropriate for on-line dynamic remote sensing monitoring of air pollutants, especially for the automotive exhausts. However, their absorption spectra are often seriously overlapped in the atmospheric infrared window bands, i.e. MWIR (3 5μm). Artificial Neural Network (ANN) is an algorithm based on the theory of the biological neural network, which simplifies the partial differential equation with complex construction. For its preferable performance in nonlinear mapping and fitting, in this paper we utilize Back Propagation-Artificial Neural Network (BP-ANN) to quantitatively analyze the concentrations of four typical industrial automotive exhausts, including CO, NO, NO2 and SO2. We extracted the original data of these automotive exhausts from the HITRAN database, most of which virtually overlapped, and established a mixed multi-component simulation environment. Based on Beer-Lambert Law, concentrations can be retrieved from the absorbance of spectra. Parameters including learning rate, momentum factor, the number of hidden nodes and iterations were obtained when the BP network was trained with 80 groups of input data. By improving these parameters, the network can be optimized to produce necessarily higher precision for the retrieved concentrations. This BP-ANN method proves to be an effective and promising algorithm on dealing with multi-components analysis of automotive exhausts.

  5. A multicomponent strategy to improve the availability of antivenom for treating snakebite envenoming.

    Science.gov (United States)

    Gutiérrez, José María; Burnouf, Thierry; Harrison, Robert A; Calvete, Juan J; Kuch, Ulrich; Warrell, David A; Williams, David J

    2014-07-01

    Snakebite envenoming is a common but neglected public health problem, particularly in impoverished rural regions of sub-Saharan Africa, Asia and Latin America. The only validated treatment for this condition is passive immunotherapy with safe and effective animal-derived antivenoms. However, there is a long-lasting crisis in the availability of these life-saving medications, particularly in sub-Saharan Africa and parts of Asia. We herein advocate a multicomponent strategy to substantially improve the availability of safe and effective antivenoms at the global level. This strategy is based on: (i) preparing validated collections of representative venom pools from the most medically dangerous snakes in high-risk regions of the world; (ii) strengthening the capacity of national antivenom manufacturing and quality control laboratories and their regulatory authorities and establishing new facilities in developing countries through technology transfer, as an integral part of efforts to develop their biological products industry; (iii) getting established laboratories to generate antivenoms for various regions of the world; and (iv) getting governments and relevant organizations to give snakebite envenoming due recognition within national and international public health policy frameworks. These ways of making antivenom available should be complemented by actions to improve health information systems, the accessibility of antivenoms, the training of medical and nursing staff, and community-based education. Such a multicomponent strategy involving stakeholders on many levels could help consolidate sustainable improvements in antivenom availability worldwide.

  6. POSITIVE RESULTS OF TRANSPLANTATION OF MULTI-COMPONENT COMPOSITE MATERIAL CONTAINING ALLOGENEIC MESENCHYMAL STEM CELLS AFTER CYSTECTOMY IN A RABBIT

    Directory of Open Access Journals (Sweden)

    N. V. Orlovа

    2017-01-01

    Full Text Available Of late much attention has been paid to tissue engineering by urologists. After successful testing on animals, artificial urinary bladders with self-specific cells were transplanted to humans. Our research is aimed at investigating the opportunity of using cellular technologies  if no healthy  self-specific material is available.The goal of this experiment  is to investigate the opportunity of using a multi-component composite material containing  allogeneic cells to replace the defect of urinary wall under experimental conditions.The standard technique was used for isolation and culturing of mesenchymal stromal stem cells from the rabbit's  bone marrow. Multi-component composite material based on the polylactide  matrix was inoculated by allogeneic cells and transplanted in vivo to the model of partial cystectomy. In 2.5 months the presence of labeled cells in the implantation site was confirmed by objective methods.

  7. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-01-01

    the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code...... is coupled with the geochemical code PHREEQC-3 by utilizing the IPhreeqc module, thus enabling to perform the geochemical calculations included in the PHREEQC's reaction package. The multicomponent reactive transport code is benchmarked with different 1-D and 2-D transport problems. Successively......, conservative and reactive transport examples are presented to demonstrate the capability of the proposed model to simulate transport of charged species in heterogeneous porous media with spatially variable physical and chemical properties. The results reveal that the Coulombic cross-coupling between dispersive...

  8. Synthesis of unnatural amino acids via microwave-assisted regio-selective one-pot multi-component reactions of sulfamidates

    Science.gov (United States)

    Synthesis of triazole-based unnatural amino acids, triazole bisaminoacids and β-amino triazole has been described via stereo and regioselective one-pot multi-component reaction of sulfamidates, sodium azide, and alkynes under MW irradiation conditions. The developed method is app...

  9. Phase behavior of multicomponent membranes: Experimental and computational techniques

    DEFF Research Database (Denmark)

    Bagatolli, Luis; Kumar, P.B. Sunil

    2009-01-01

    , mainly because of their complexity, the precise in-plane organization of lipids and proteins and their stability in biological membranes remain difficult to elucidate. This has reiterated the importance of understanding the equilibrium phase behavior and the kinetics of fluid multicomponent lipid...... of the membrane. Experiments indicate that biomembranes of eukaryotic cells may be laterally organized into small nanoscopic domains. This inplane organization is expected to play an important role in a variety of physiological functions such as signaling, recruitment of specific proteins and endocytosis. However...... membranes. Current increase in interest in the domain formation in multicomponent membranes also stems from the experiments demonstrating liquid ordered-liquid disordered coexistence in mixtures of lipids and cholesterol and the success of several computational models in predicting their behavior...

  10. Multicomponent Crystal Systems of Known Antimalarial Drug Molecules.

    Science.gov (United States)

    Clements, Monica; le Roex, Tanya; Blackie, Margaret

    2015-11-01

    Potential drug molecules are often discarded due to poor physicochemical properties and pharmacokinetic profiles. As such, research into the use of multicomponent crystal systems (such as salts and co-crystals) is currently being conducted with the aim of improving the properties of the molecule, without altering the bioactivity of the drug. Although numerous studies have been performed on a wide variety of drug molecules, research with antimalarial drug molecules seems to have been neglected. With many of the current drugs becoming inactive due to resistance, there is an urgent need to find effective drugs with good pharmacokinetic profiles. The objective of this review is therefore to determine the extent to which multicomponent crystal systems have been used in antimalarial chemotherapy and whether this method provides a viable alternative to discarding potential drug candidates. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Obliquely propagating magnetosonic waves in multicomponent quantum magnetoplasma

    Energy Technology Data Exchange (ETDEWEB)

    Masood, W. [Theoretical Plasma Physics Division, PO Nilore, Islamabad (Pakistan)], E-mail: waqasmas@gmail.com; Mushtaq, A. [Theoretical Plasma Physics Division, PO Nilore, Islamabad (Pakistan)

    2008-06-02

    Linear properties of obliquely propagating magnetosonic waves (both fast and slow) in multicomponent (electron-positron-ion (e-p-i) and dust-electron-ion (d-e-i)) quantum magnetoplasma are studied. It is found that the quantum Bohm potential term significantly changes the propagation of fast and slow magnetosonic waves in both e-p-i and d-e-i quantum plasmas. The variation of the dispersion characteristics with the increase/decrease of positron concentration in e-p-i and dust concentration in d-e-i quantum magnetoplasma is explored. Finally, the effect of angle {theta} (that the ambient magnetic field makes with the x-axis) on the dispersion properties of magnetosonic waves in multicomponent quantum magnetoplasma is investigated. The relevance of the present investigation to the dense astrophysical environments and microelectronic devices is also pointed out.

  12. Method for producing nanocrystalline multicomponent and multiphase materials

    Science.gov (United States)

    Eastman, J.A.; Rittner, M.N.; Youngdahl, C.J.; Weertman, J.R.

    1998-03-17

    A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound. 6 figs.

  13. A multicomponent intervention for the management of chronic pain in older adults: study protocol for a randomized controlled trial.

    Science.gov (United States)

    Cheng, Sheung-Tak; Chan, Ka Long; Lam, Rosanna W L; Mok, Monique H T; Chen, Phoon Ping; Chow, Yu Fat; Chung, Joanne W Y; Law, Alexander C B; Lee, Jenny S W; Leung, Edward M F; Tam, Cindy W C

    2017-11-09

    Studies have shown that physical interventions and psychological methods based on the cognitive behavioral approach are efficacious in alleviating pain and that combining both tends to yield more benefits than either intervention alone. In view of the aging population with chronic pain and the lack of evidence-based pain management programs locally, we developed a multicomponent intervention incorporating physical exercise and cognitive behavioral techniques and examined its long-term effects against treatment as usual (i.e., pain education) in older adults with chronic musculoskeletal pain in Hong Kong. We are conducting a double-blind, cluster-randomized controlled trial. A sample of 160 participants aged ≥ 60 years will be recruited from social centers or outpatient clinics and will be randomized on the basis of center/clinic to either the multicomponent intervention or the pain education program. Both interventions consist of ten weekly sessions of 90 minutes each. The primary outcome is pain intensity, and the secondary outcomes include pain interference, pain persistence, pain self-efficacy, pain coping, pain catastrophizing cognitions, health-related quality of life, depressive symptoms, and hip and knee muscle strength. All outcome measures will be collected at baseline, postintervention, and at 3 and 6 months follow-up. Intention-to-treat analysis will be performed using mixed-effects regression to see whether the multicomponent intervention alleviates pain intensity and associated outcomes over and above the effects of pain education (i.e., a treatment × time intervention effect). Because the activities included in the multicomponent intervention were carefully selected for ready implementation by allied health professionals in general, the results of this study, if positive, will make available an efficacious, nonpharmacological pain management program that can be widely adopted in clinical and social service settings and will hence improve older

  14. Gouy Interferometry: Properties of Multicomponent System Omega Graphs

    Energy Technology Data Exchange (ETDEWEB)

    Miller, D G

    2007-01-24

    We consider the properties of {Omega} graphs ({Omega} vs f(z)) obtained from Gouy interferometry on multicomponent systems with constant diffusion coefficients. We show that they must have (a) either a maximum or else a minimum between f(z)=0 and f(z)=1 and (b) an inflection point between the f(z) value at the extremum and f(z)=1. Consequently, an {Omega} graph cannot have both positive and negative {Omega} values.

  15. Multi-Component Dark Matter: the vector and fermion case

    OpenAIRE

    Ahmed, Aqeel; Duch, Mateusz; Grzadkowski, Bohdan; Iglicki, Michal

    2017-01-01

    A generic 2-3 component dark matter setup has been discussed. Dark matter candidates have been stabilized by a discrete $Z_2 \\!\\times\\! Z_2^\\prime$ symmetry. It turns out that non-trivial and interesting implications of multi-component dark sector emerge if standard annihilation channels are suppressed. In that case semi-annihilations, conversions and decays are crucial for the evolution of the dark matter abundance and its present value. The generic observations have been illustrated within ...

  16. Drying of liquid food droplets : enzyme inactivation and multicomponent diffusion

    OpenAIRE

    Meerdink, G.

    1993-01-01

    In this thesis the drying of liquid food droplets is studied from three different points of view: drying kinetics, enzyme inactivation and multicomponent diffusion. Mathematical models are developed and validated experimentally.

    Drying experiments are performed with suspended droplets and with free falling droplets under spray-drying conditions. The experiments with the free falling droplets are performed in a specially designed drying tower using a resonance nozzle. The reso...

  17. A Multicomponent Intervention to Prevent Delirium in Hospitalized Older Patients

    OpenAIRE

    Inouye, Sharon; Bogardus, Sidney T.; Charpentier, Peter A.; Leo-Summers, Linda; Acampora, Denise; Theodore R Holford; Cooney, Leo M.

    1999-01-01

    BACKGROUND: Since in hospitalized older patients delirium is associated with poor outcomes, we evaluated the effectiveness of a multicomponent strategy for the prevention of delirium. METHODS: We studied 852 patients 70 years of age or older who had been admitted to the general-medicine service at a teaching hospital. Patients from one intervention unit and two usual-care units were enrolled by means of a prospective matching strategy. The intervention consisted of standardized pro...

  18. Mechanical properties of thermoelectric n-type magnesium silicide synthesized employing in situ spark plasma reaction sintering

    Science.gov (United States)

    Muthiah, Saravanan; Singh, R. C.; Pathak, B. D.; Dhar, Ajay

    2017-07-01

    Thermoelectric devices employing magnesium silicide (Mg2Si) offer an inexpensive and non-toxic solution for green energy generation compared to other existing conventional thermoelectric materials in the mid-temperature range. However, apart from the thermoelectric performance, their mechanical properties are equally important in order to avoid the catastrophic failure of their modules during actual operation. In the present study, we report the synthesis of Mg2Si co-doped with Bi and Sb employing in situ spark plasma reaction sintering and investigate its broad range of mechanical properties. The mechanical properties of the sintered co-doped Mg2Si suggest a significantly enhanced value of hardness ~5.4  ±  0.2 GPa and an elastic modulus ~142.5  ±  6 GPa with a fracture toughness of ~1.71  ±  0.1 MPa  √m. The thermal shock resistance, which is one of the most vital parameter for designing thermoelectric devices, was found to be ~300 W m-1, which is higher than most of the other existing state-of-the-art mid-temperature thermoelectric materials. The friction and wear characteristics of sintered co-doped Mg2Si have been reported for the first time, in order to realize the sustainability of their thermoelectric modules under actual hostile environmental conditions.

  19. THE ARCHITECTURE OF MULTI-COMPONENT DISTRIBUTED HYBRID EXPERT TRAINING SYSTEM

    Directory of Open Access Journals (Sweden)

    Оleh Shevchuk

    2016-09-01

    Full Text Available The paper reports on the design of a multi-component architecture of distributed hybrid expert training system that can be used for the study of knowledge base of both internal and external expert systems and artificial intelligence systems that are distributed on Internet servers and other computer networks. Expert training system is based on three groups of basic principles: cybernetic, reflecting experience of previous research of systems of artificial intelligence, expert training systems; pedagogical, determining the principles, on which pedagogical design and use of expert training systems are based; psychological, determining preconditious and understanding of pupils psychics, on which the processes of design and use of expert training systems in professional training of future specialists are based.It accounts for the efficient training through the distributed knowledge via the Internet, which greatly increases the didactic capabilities of the system.

  20. Hydrodynamic theory of diffusion in two-temperature multicomponent plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Ramshaw, J.D.; Chang, C.H. [Idaho National Engineering Lab., Idaho Falls, ID (United States)

    1995-12-31

    Detailed numerical simulations of multicomponent plasmas require tractable expressions for species diffusion fluxes, which must be consistent with the given plasma current density J{sub q} to preserve local charge neutrality. The common situation in which J{sub q} = 0 is referred to as ambipolar diffusion. The use of formal kinetic theory in this context leads to results of formidable complexity. We derive simple tractable approximations for the diffusion fluxes in two-temperature multicomponent plasmas by means of a generalization of the hydrodynamical approach used by Maxwell, Stefan, Furry, and Williams. The resulting diffusion fluxes obey generalized Stefan-Maxwell equations that contain driving forces corresponding to ordinary, forced, pressure, and thermal diffusion. The ordinary diffusion fluxes are driven by gradients in pressure fractions rather than mole fractions. Simplifications due to the small electron mass are systematically exploited and lead to a general expression for the ambipolar electric field in the limit of infinite electrical conductivity. We present a self-consistent effective binary diffusion approximation for the diffusion fluxes. This approximation is well suited to numerical implementation and is currently in use in our LAVA computer code for simulating multicomponent thermal plasmas. Applications to date include a successful simulation of demixing effects in an argon-helium plasma jet, for which selected computational results are presented. Generalizations of the diffusion theory to finite electrical conductivity and nonzero magnetic field are currently in progress.

  1. Multicomponent Fitness Training Improves Walking Economy in Older Adults.

    Science.gov (United States)

    Valenti, Giulio; Bonomi, Alberto Giovanni; Westerterp, Klaas Roelof

    2016-07-01

    Walking economy declines with increasing age, possibly leading to mobility limitation in older adults. Multicomponent fitness training could delay the decline in walking economy. This study aimed to determine the effect of multicomponent fitness training on walking economy in older adults. Participants were untrained adults, age 50 to 83 yr (N = 26, 10 males, age = 63 ± 6 yr, BMI = 25.6 ± 2.1 kg·m, mean ± SD). A control group was also recruited (N = 16, 9 males, age = 66 ± 10 yr, BMI = 25.4 ± 3.0 kg·m), matching the intervention group for age, weight, body composition, and fitness. The intervention group followed a multicomponent fitness program of 1 h, twice per week during 1 yr. The control group did not take part in any physical training. Fat-free mass, walking economy, and maximal oxygen uptake (V˙O2max) were measured in both groups before and after the year. Walking economy was measured with indirect calorimetry as the lowest energy needed to displace 1 kg of body mass for 1 m while walking on a treadmill. The data were compared between the two groups with repeated-measures ANOVA. Thirty-two subjects completed all measurements. There was an interaction between the effects of time and group on V˙O2max (P economy (P economy. Thus, training programs could delay mobility limitation with increasing age.

  2. Dynamic simulation of multicomponent reaction transport in water distribution systems.

    Science.gov (United States)

    Munavalli, G R; Mohan Kumar, M S M S

    2004-04-01

    Given the presence of nutrients, regrowth of bacteria within a distribution system is possible. The bacterial growth phenomena, which can be studied by developing a multicomponent (substrate, biomass and disinfectant) reaction transport model, is governed by its relationship with the substrate (organic carbon) and disinfectant (chlorine). The multicomponent reaction transport model developed in the present study utilizes the simplified expressions for the basic processes (in bulk flow and at pipe wall) such as bacterial growth and decay, attachment to and detachment from the surface, substrate utilization and disinfectant action involved in the model. The usefulness of the model is further enhanced by the incorporation of an expression for bulk reaction parameter relating it with the organic carbon. The model is validated and applied to study the sensitive behavior of the components using a hypothetical network. The developed model is able to simulate the biodegradable organic carbon threshold in accordance with the values reported in the literature. The spread of contaminant intruded into the system at any location can also be simulated by the model. The multicomponent model developed is useful for water supply authorities in identifying the locations with high substrate concentrations, bacterial growth and lower chlorine residuals.

  3. Assessment of the Stoichiometry of Multicomponent Crystals Using Only X-ray Powder Diffraction Data.

    Science.gov (United States)

    Maguire, Courtney K; Brunskill, Andrew P J

    2015-06-01

    Knowledge of the unit cell volume of a crystalline form and the expected space filling requirements of an API molecule can be used to determine if a crystalline material is likely to be multicomponent, such as a solvate, hydrate, salt, or a co-crystal. The unit cell information can be readily accessed from powder diffraction data alone utilizing powder indexing methodology. If the unit cell has additional space not likely attributable to the API entity, then there is either a void or another component within the crystal lattice. This "leftover" space can be used to determine the likely stoichiometry of the additional component. A simple approach for calculating the expected required volume for a given molecule within a crystal using an atom based additive approach will be discussed. Coupling this estimation with the actual unit cell volumes and space group information obtained from powder indexing allows for the rapid evaluation of the likely stoichiometry of multicomponent crystals using diffraction data alone. This approach is particularly useful for the early assessment of new phases during salt, co-crystal, and polymorph screening, and also for the characterization of stable and unstable solvates.

  4. Balance Changes in Trained and Untrained Elderly Undergoing a Five-Months Multicomponent Training Program

    Directory of Open Access Journals (Sweden)

    Ana Cordellat

    2016-10-01

    Full Text Available Balance is a main focus of elderly activity programs which can be assessed by functional tests or stabilometry platforms. Our study aims to compare balance-changes in trained (TRA and untrained (UNT elderly following a 5-month Multi-Component Training Program (MCTP, twice a week, one hour per day. 10 TRA (>2-years and 9 UNT (first year performed the Romberg´s test (Open-Eyes 30 seconds/Closed-Eyes 30 seconds ratio on a stabilometry platform (BT4, Hur Labs. COP displacement (Trace Length: TL and sway area (C90 were registered twice PRE (1&2, POST (3&4 and 3 months later (Detraining: 5&6 the EFAM-UV© program, a Cognitive MCTP based on gait training and Dual-Task neuromuscular proposals in enriched environments. Regarding Open-Eyes, Bonferroni post-hoc comparisons showed significant group-differences in TL for 1, 2, 5 & 6 sample conditions, and a slight trend toward significance in C90 1&5. TL also showed significant group-differences in Closed-Eyes 1, 5 & 6, while C90 only in 5 & 6 Closed-Eyes. Balance indicators TL and C90 show a different way regarding the training status. A 5-month MCTP reduces differences, but detraining quickly affects UNT. Although effective, short multicomponent interventions could lead to early worsening, so the ratio training-detraining might be considered in untrained elderly population.

  5. Screening in a multicomponent plasma by the example of a wet air plasma

    Science.gov (United States)

    Filippov, A. V.; Derbenev, I. N.; Kurkin, S. A.

    2017-11-01

    A general theory of screening of a dust-particle charge in a multicomponent plasma is developed based on the asymptotic screening theory. In the asymptotic theory, the balance equations for the number of charged plasma particles in the diffusion-drift approximation supplemented with point sinks of plasma particles on a dust particle and the Poisson equation for the self-consistent electric field potential are solved by the linearization method using the three-dimensional Fourier transform. The coefficients of a secular or a characteristic polynomial, whose zeroes determine screening constants in a multicomponent plasma, were calculated by the Leverrier-Faddeev method, allowing one to find these coefficients for any number of initial balance equations for the number of charged plasma particles. By the example of a wet air plasma produced by an external gas-ionization source, the procedure is considered for constructing the truncated system of balance equations for main plasma ions and screening constants are determined. The influence of the number of main ions on screening constants is considered and the physical meaning of all screening constants is found.

  6. Multi-component pre-stack time-imaging and migration-based velocity analysis in transversely isotropic media; Imagerie sismique multicomposante et analyse de vitesse de migration en milieu transverse isotrope

    Energy Technology Data Exchange (ETDEWEB)

    Gerea, C.V.

    2001-06-01

    Complementary to the recording of compressional (P-) waves, the observation of P-S converted waves has recently been receiving specific attention. This is mainly due to their tremendous potential as a tool for fracture and lithology characterization, imaging sediments in gas saturated rocks, and imaging shallow sediments with higher resolution than conventional P-P data. In a conventional marine seismic survey, we cannot record P-to-S converted-wave energy since the fluids cannot support shear-wave strain. Thus, to capture the converted-wave energy, we need to record it at the water-bottom casing an ocean-bottom cable (OBC). The S-waves recorded at the seabed are mainly converted from P to S (i.e., PS-waves or C-waves) at the subsurface reflectors. The most accurate way to image seismic data is pre-stack depth migration. In this thesis, I develop a numerically efficient 2.5-D true-amplitude elastic Kirchhoff pre-stack migration algorithm designed to handle OBC data gathered along a single line. All the kinematic and dynamic elastic Green's functions required in the computation of true-amplitude weight term of Kirchhoff summation, are based on the non-hyperbolic explicit approximations of P- and SV-wave travel-times in layered transversely isotropic (VTI) media. Hence, this elastic imaging algorithm is very well-suited for migration-based velocity analysis techniques, for which fast, robust and iterative pre-stack migration is desired. In this thesis, I approach also the topic of anisotropic velocity model building for elastic pre-stack time-imaging. and propose an original methodology for joint PP-PS migration-based velocity analysis (MVA) in layered VTI anisotropic media. Tests on elastic synthetic and real OBC seismic data ascertain the validity of the pre-stack migration algorithm and velocity analysis methodology. (author)

  7. EFFICACY OF MODIFIED MULTICOMPONENT SYSTEM “1C: ENTERPRISE” IMPLEMENTATION

    Directory of Open Access Journals (Sweden)

    A. A. Modestov

    2016-01-01

    Full Text Available Background: Automated accounting and controlling system “1C: Enterprise” is widely used in Russia for optimizing the system of controlling materials and technical resources. Medical organizations modify them in line with their primary activity objectives. For many years, the Scientific Center of Children’s Health has been successfully using a 1C-based medical information system including electronic patient records. An innovative product — an additional block for accounting equipment and supplies (E&S — was developed in 2014.Objective: Our aim was to conduct a sociological analysis of results of the first stage of modified multicomponent system “1C: Enterprise” implementation.Methods: The cross-sectional full-design study was conducted from October 2014 to June 2015. We used the analytical method, the opinion poll method and the expert method. We developed a special questionnaire for the purposes of the poll. We assessed opinions of clinic employees, departments and services indirectly or directly working with the system.Results: The study results demonstrate that multifunctional and adapted towards peculiarities of activities of the Scientific Center of Children’s Health system “1C: Enterprise” provides more efficient control over the use of drugs, expendables and other E&S in patient terms. It also allows simplifying and automatizing operation of the E&S accounting system by the employees and generating financial statements for a given period in terms of patient/department/clinic. At the same time, the poll revealed problematic technical, informational and motivational aspects. This is confirmed by the degree of involvement/personal interest of employees in the end result, as well as by the priorities of motivation for quality work.Conclusion: Analysis of attitude of accountable persons to the modification of accounting policy of the Scientific Center of Children’s Health served as the basis for developing measures of

  8. Multicomponent Nanostructured Thin Films. Deposition, Characterization, Testing and Application

    Science.gov (United States)

    Shtansky, D. V.

    The current topics related to the deposition, characterization, testing and application of tribological coatings are reviewed and refer to our recent results on nanostructured (Ti,Cr)-(Al,Si,Zr,Ca)-(C,B,N,O) thin films. The PVD targets based on the systems TiN+TiB2, TiB2+TiC, Ti5Si3+Ti, Ti5Si3+TiN, TiB2+Ti5Si3+Si, TiB2+Si, Ti5Si3+TiC, TiAl+TiC, TiB+Ti9Cr4B+Cr2Ti, CrB2, TiB2+TiAl+Ti2AlN, TiC+Ti3SiC2+TiSi2, TiC0.5+ZrO2, TiC0.5+CaO, Ti5Si3+ZrO2 were manufactured by means of self-propagating high-temperature synthesis (SHS). The BN and WSex films were deposited using a sintered hexagonal BN and a cold pressed WSe2 target, respectively. Multicomponent films were deposited by DC magnetron sputtering of composite targets either in an atmosphere of argon or reactively in a gaseous mixture of argon and nitrogen. The WSe2 films were deposited by PLD and ion-assisted PLD techniques. The microstructure and chemical composition of the films were studied by means of Auger electron spectroscopy (AES), energy-dispersive X-ray spectroscopy (EDXS), X-ray diffraction (XRD), scanning and transmission electron microscopy (SEM and TEM), high-resolution (HR) TEM, X-ray photoelectron spectroscopy (XPS), and electron energy-loss spectroscopy (EELS). The films were also characterized in terms of their hardness, elastic modulus, elastic recovery, adhesion, surface topography, friction and wear. Particular attention was paid to the analysis of the structure of the films in the nanometric scale and the evaluation of the properties of the individual nanostructures. Three groups of films are considered: 1) nanostructured hard, tribological coatings for civilian engineering Ti-B-N, Ti-Cr-B-N, Ti-Si-N, Ti-Al-B-N, Ti-Si-C-N, Ti-Si-B-N, BN and Cr-B-N; 2) double-layer self-lubricating coatings for civilian air force and space industry WSex/TiC, WSex/TiCN, WSex/TiSiN and 3) biocompatible coatings for medicine Ti-Ca-C-N-O, Ti-Zr-C-N-O, and Ti-Zr-Si-O-N.

  9. Crystallisation mechanism of a multicomponent lithium alumino-silicate glass

    Energy Technology Data Exchange (ETDEWEB)

    Wurth, R. [Otto-Schott-Institut, Jena University, Fraunhoferstr. 6, 07743 Jena (Germany); Pascual, M.J., E-mail: mpascual@icv.csic.es [Instituto de Ceramica y Vidrio, CSIC, Kelsen 5, 28049 Madrid (Spain); Mather, G.C.; Pablos-Martin, A.; Munoz, F.; Duran, A. [Instituto de Ceramica y Vidrio, CSIC, Kelsen 5, 28049 Madrid (Spain); Cuello, G.J. [Institut Laue-Langevin, Boite Postale 156, 38042 Grenoble Cedex 9 (France); Ruessel, C. [Otto-Schott-Institut, Jena University, Fraunhoferstr. 6, 07743 Jena (Germany)

    2012-06-15

    A base glass of composition 3.5 Li{sub 2}O Bullet-Operator 0.15 Na{sub 2}O Bullet-Operator 0.2 K{sub 2}O Bullet-Operator 1.15 MgO Bullet-Operator 0.8 BaO Bullet-Operator 1.5 ZnO Bullet-Operator 20 Al{sub 2}O{sub 3} Bullet-Operator 67.2 SiO{sub 2} Bullet-Operator 2.6 TiO{sub 2} Bullet-Operator 1.7 ZrO{sub 2} Bullet-Operator 1.2 As{sub 2}O{sub 3} (in wt.%), melted and provided by SCHOTT AG (Mainz), was used to study the crystallisation mechanism of lithium alumino-silicate glass employing X-ray diffraction combined with neutron diffraction and non-isothermal differential scanning calorimetry (DSC). A high-quartz solid solution of LiAlSi{sub 2}O{sub 6} with nanoscaled crystals forms at 750 Degree-Sign C. Quantitative Rietveld refinement of samples annealed at 750 Degree-Sign C for 8 h determined a crystallised fraction of around 59 wt.%. The room temperature crystallised phase adopts an ordered, {beta}-eucryptite-like structure (2 Multiplication-Sign 2 Multiplication-Sign 2 cell) with Li ordered in the structural channels. The Avrami parameter (n {approx} 4), calculated from DSC data using different theoretical approaches, indicates that bulk crystallisation occurs and that the number of nuclei increases during annealing. The activation energy of the crystallisation is 531 {+-} 20 kJ mol{sup -1}. - Highlights: Black-Right-Pointing-Pointer Nanoscaled high-quartz crystals from a multicomponent lithium alumino-silicate glass. Black-Right-Pointing-Pointer Combined X-ray and neutron diffraction structural refinement. Black-Right-Pointing-Pointer {beta}-Eucryptite-like structure (2 Multiplication-Sign 2 Multiplication-Sign 2 cell) with Li ordered in the structural channels. Black-Right-Pointing-Pointer 3-Dimensional bulk crystallisation mechanism with an increasing number of nuclei. Black-Right-Pointing-Pointer Usage and validation of an alternative approach to calculate the Avrami parameter.

  10. A cluster randomised control trial of a multi-component weight management programme for adults with intellectual disabilities and obesity.

    Science.gov (United States)

    Harris, Leanne; Hankey, Catherine; Jones, Nathalie; Pert, Carol; Murray, Heather; Tobin, Janet; Boyle, Susan; Melville, Craig

    2017-08-01

    There have been few published controlled studies of multi-component weight management programmes that include an energy deficit diet (EDD), for adults with intellectual disabilities and obesity. The objective of this study was to conduct a single-blind, cluster randomised controlled trial comparing a multi-component weight management programme to a health education programme. Participants were randomised to either TAKE 5, which included an EDD or Waist Winners Too (WWToo), based on health education principles. Outcomes measured at baseline, 6 months (after a weight loss phase) and 12 months (after a 6-month weight maintenance phase), by a researcher blinded to treatment allocation, included: weight; BMI; waist circumference; physical activity; sedentary behaviour and health-related quality of life. The recruitment strategy was effective with fifty participants successfully recruited. Both programmes were acceptable to adults with intellectual disabilities, evidenced by high retention rates (90 %). Exploratory efficacy analysis revealed that at 12 months there was a trend for more participants in TAKE 5 (50·0 %) to achieve a clinically important weight loss of 5-10 %, in comparison to WWToo (20·8 %) (OR 3·76; 95 % CI 0·92, 15·30; 0·064). This study found that a multi-component weight management programme that included an EDD, is feasible and an acceptable approach to weight loss when tailored to meet the needs of adults with intellectual disabilities and obesity.

  11. Multicomponent, Enantioselective Michael-Michael-Aldol-β-Lactonizations Delivering Complex β-Lactones.

    Science.gov (United States)

    Van, Khoi N; Romo, Daniel

    2018-01-19

    Optically active, tertiary amine Lewis bases react with unsaturated acid chlorides to deliver chiral, α,β-unsaturated acylammonium salts. These intermediates participate in a catalytic, enantioselective, three-component process delivering bi- and tricyclic β-lactones through a Michael-Michael-aldol-β-lactonization. In a single operation, the described multicomponent, organocascade process forms complex bi- and tricyclic β-lactones by generating four new bonds, two rings, and up to four contiguous stereocenters. In the racemic series, yields of 22-75% were achieved using 4-pyrrolidinopyridine as Lewis base. In the enantioselective series employing isothiourea catalysts, a kinetic resolution of the initially formed racemic Michael adduct appears operative, providing yields of 46% to quantitative (based on 50% max) with up to 94:6 er. Some evidence for a dynamic kinetic asymmetric transformation for tricyclic-β-lactone 1d was obtained following optimization (yields up to 61%, 94:6 er) through a presumed reversible Michael.

  12. PEG1000-Based Dicationic Acidic Ionic Liquid Catalyzed One-Pot Synthesis of 4-Aryl-3-Methyl-1-Phenyl-1H-Benzo[h]pyrazolo [3,4-b]quinoline-5,10-Diones via Multicomponent Reactions

    Directory of Open Access Journals (Sweden)

    Yi-Ming Ren

    2015-09-01

    Full Text Available A novel and green approach for efficient and rapid synthesis of 4-aryl-3-methyl-1-phenyl-1H-benzo[h]pyrazolo[3,4-b]quinoline-5,10-diones has been accomplished by the one-pot condensation reaction of aromatic aldehydes, 3-methyl-1-phenyl-1H-pyrazol-5-amine and 2-hydroxynaphthalene-1,4-dione using PEG1000-based dicationic acidic ionic liquid (PEG1000-DAIL as a catalyst was reported. Recycling studies have shown that the PEG1000-DAIL can be readily recovered and reused several times without significant loss of activity. The key advantages are the short reaction time, high yields, simple workup, and recovered catalyst.

  13. Equivalence of two models in single-phase multicomponent flow simulations

    KAUST Repository

    Wu, Yuanqing

    2016-02-28

    In this work, two models to simulate the single-phase multicomponent flow in reservoirs are introduced: single-phase multicomponent flow model and two-phase compositional flow model. Because the single-phase multicomponent flow is a special case of the two-phase compositional flow, the two-phase compositional flow model can also simulate the case. We compare and analyze the two models when simulating the single-phase multicomponent flow, and then demonstrate the equivalence of the two models mathematically. An experiment is also carried out to verify the equivalence of the two models.

  14. Metabolite identification strategy of non-targeted metabolomics and its application for the identification of components in Chinese multicomponent medicine Abelmoschus manihot L.

    Science.gov (United States)

    Guo, Jian-ming; Lu, Yu-wei; Shang, Er-xin; Li, Ting; Liu, Yang; Duan, Jin-ao; Qian, Da-wei; Tang, Yu-ping

    2015-05-15

    Identification of multicomponent in traditional Chinese medicine (TCM) is complex and time-consuming. The inspection of the full-scan mass chromatograms was usually performed manually, which is labor-intensive. It is difficult to distinguish low response signals from complex chemical background. Furthermore, this process is typically based on earlier knowledge of the chemical composition of TCM, and those molecules that have not been characterized earlier were thus ignored. In this paper, a strategy using UPLC-MS combined with pattern recognition analysis was developed to simplify and quicken the identification of multicomponent in Abelmoschus manihot (L.) Medik. First, complex signals obtained by UPLC-MS were processed using automated data mining algorithm and further processed with multivariate chemometric methods. Multicomponent in Abelmoschus manihot L. can be clearly displayed in S- and VIP-plot. Using this method, 320 peaks which present in Abelmoschus manihot L. were detected. In the next step, accurate mass spectra of the characteristic markers acquired by QTOF MS were used to estimate their elemental formulae and enable structure identification. By searching in METLIN database, 41 components were tentatively identified in Abelmoschus manihot L. Our results showed that UPLC-MS based-pattern recognition analysis approach can be used to quickly identify TCM multicomponent and for standardization of herbal preparations. Copyright © 2015 Elsevier GmbH. All rights reserved.

  15. Changes in adolescents' intake of sugar-sweetened beverages and sedentary behaviour: results at 8 month mid-way assessment of the HEIA study--a comprehensive, multi-component school-based randomized trial.

    Science.gov (United States)

    Bjelland, Mona; Bergh, Ingunn H; Grydeland, May; Klepp, Knut-Inge; Andersen, Lene F; Anderssen, Sigmund A; Ommundsen, Yngvar; Lien, Nanna

    2011-06-17

    Inconsistent effects of school-based obesity prevention interventions may be related to how different subgroups receive them. The aim of this study was to evaluate the effect of an intervention program, including fact sheets to parents and classroom components, on intake of sugar-sweetened beverages (SSB) and screen time. Further, to explore whether potential effects and parental involvement varied by adolescents' gender, weight status (WS) and parental educational level. In total, 1465 11-year-olds participated at the pre-test and the 8 month mid-way assessment of the HEIA study. Parents (n = 349) contributed with process evaluation data. Self-reported intake of SSB was collected from the 11-year-olds assessing frequency and amount, while time used on watching TV/DVD and computer/game-use (weekday and weekend day) were assed by frequency measures. Data on awareness of the intervention and dose received were collected from parents. Covariance analyses (ANCOVA) were conducted testing for effects by gender and for moderation by WS and parental education. Time spent on TV/DVD (week p = 0.001, weekend p = 0.03) and computer/game-use (week p = 0.004, weekend p games, p = 0.02). There were no moderating effects of parental education for neither boys nor girls with respect to intake of SSB, time used for watching TV/DVD and computer/game-use. Parental awareness of the intervention was significantly higher among the parents of girls, while the parents of boys were more satisfied with the fact sheets. The preventive initiatives appeared to change behaviour in girls only. This study suggests that exploration of potential beneficial or negative effects of intervention in subgroups is important. In formative evaluation of obesity prevention studies it seems warranted to include issues related to gender, WS and parental involvement in order to enhance the effectiveness of preventive initiatives.

  16. Changes in adolescents' intake of sugar-sweetened beverages and sedentary behaviour: Results at 8 month mid-way assessment of the HEIA study - a comprehensive, multi-component school-based randomized trial

    Directory of Open Access Journals (Sweden)

    Andersen Lene F

    2011-06-01

    Full Text Available Abstract Background Inconsistent effects of school-based obesity prevention interventions may be related to how different subgroups receive them. The aim of this study was to evaluate the effect of an intervention program, including fact sheets to parents and classroom components, on intake of sugar-sweetened beverages (SSB and screen time. Further, to explore whether potential effects and parental involvement varied by adolescents' gender, weight status (WS and parental educational level. Methods In total, 1465 11-year-olds participated at the pre-test and the 8 month mid-way assessment of the HEIA study. Parents (n = 349 contributed with process evaluation data. Self-reported intake of SSB was collected from the 11-year-olds assessing frequency and amount, while time used on watching TV/DVD and computer/game-use (weekday and weekend day were assed by frequency measures. Data on awareness of the intervention and dose received were collected from parents. Covariance analyses (ANCOVA were conducted testing for effects by gender and for moderation by WS and parental education. Results Time spent on TV/DVD (week p = 0.001, weekend p = 0.03 and computer/game-use (week p = 0.004, weekend p Conclusions The preventive initiatives appeared to change behaviour in girls only. This study suggests that exploration of potential beneficial or negative effects of intervention in subgroups is important. In formative evaluation of obesity prevention studies it seems warranted to include issues related to gender, WS and parental involvement in order to enhance the effectiveness of preventive initiatives.

  17. Multicomponent modelling of Portland cement hydration reactions

    NARCIS (Netherlands)

    Ukrainczyk, N.; Koenders, E.A.B.; Van Breugel, K.

    2012-01-01

    The prospect of cement and concrete technologies depends on more in depth understanding of cement hydration reactions. Hydration reaction models simulate the development of the microstructures that can finally be used to estimate the cement based material properties that influence performance and

  18. Modification by H-termination in growth process of titanium silicide on Si(0 0 1)-2 x 1 observed with scanning tunneling microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Aoki, T., E-mail: d08gd201@ynu.ac.jp [Faculty of Engineering, Yokohama National University, Tokiwadai 79-5, Hodogaya-ku, Yokohama 240-8501 (Japan); Shudo, K.; Sato, K.; Ohno, S.; Nishioka, H.; Iida, T.; Toramaru, M.; Tanaka, M. [Faculty of Engineering, Yokohama National University, Tokiwadai 79-5, Hodogaya-ku, Yokohama 240-8501 (Japan)

    2009-11-30

    Formation processes of titanium silicide on hydrogen-terminated H/Si(0 0 1)-2 x 1 surface are studied at the atomic scale with a scanning tunneling microscopy (STM). Square-shaped nanoislands were observed on the Ti/H/Si(0 0 1) surface after annealed at 873-1073 K. These are the epitaxial nanoislands moderately grown due to the local orientation relationship between C49-TiSi{sub 2} and Si(0 0 1), because passivation by surface hydrogen on Si(0 0 1) suppresses active and complex bond formation of Ti-Si.

  19. Effect of Chemistry and Particle Size on the Performance of Calcium Disilicide Primers. Part 1 - Synthesis of Calcium Silicide (CaSi2) by Rotary Atomization

    Science.gov (United States)

    2010-02-01

    reactions 1 and 2, respectively. A general rule of thumb for thermite reactions is that when the heat of formation per gram of product is lower than -1.6 kJ...34Calcium Silicide, CaSk" J. Chem. Soc Abstr. 82, II, 320, 1902. 2. Goldschmidt, H., "New Thermite Reactions, Iron Age, 82, 232, 1908. 3. MIL-C-324...Highway 361 Crane, IN 47522-5001 ATK Small Caliber System ATTN: M. Mansfield D. Clark R. Carpenter N. Tharp Lake City Army Ammunition Plant P.O. Box 1000 Independence, MO 64051-1000 16

  20. Effectiveness of a one-year multi-component day-camp intervention for overweight children

    DEFF Research Database (Denmark)

    Larsen, Kristian Traberg; Huang, Tao; Møller, Niels Christian

    2014-01-01

    . Overweight children from the Municipality of Odense, Denmark, were invited to participate in the trial. Based on power calculations 98 participants were found to be sufficient to randomize in order to find an effect of minimum 1.5 BMI points. Gender-stratified concealed block randomization with a ratio of 1......:1 and random block sizes of two, four, and six ensured balance between study arms. The intervention consisted of a six-week multi-component day camp including increased physical activity, healthy diet and health education followed by 46 weeks of family-based habitual intervention. The standard care arm...... for the prevention and treatment of overweight in children and young individuals. The primary aim of the study is to assess the effect of an intensive day-camp intervention on body mass index (BMI) in overweight children. METHODS: The Odense Overweight Intervention Study is a semi-blinded randomized controlled trial...

  1. Unsupervised color image segmentation using graph cuts with multi-components

    Science.gov (United States)

    Li, Lei; Jin, Lianghai; Song, Enmin; Dong, Zhuoli

    2013-10-01

    A novel unsupervised color image segmentation method based on graph cuts with multi-components is proposed, which finds an optimal segmentation of an image by regarding it as an energy minimization problem. First, L*a*b* color space is chosen as color feature, and the multi-scale quaternion Gabor filter is employed to extract texture feature of the given image. Then, the segmentation is formulated in terms of energy minimization with an iterative process based on graph cuts, and the connected regions in each segment are considered as the components of the segment in each iteration. In addition, canny edge detector combined with color gradient is used to remove weak edges in segmentation results with the proposed algorithm. In contrast to previous algorithms, our method could greatly reduce computational complexity during inference procedure by graph cuts. Experimental results demonstrate the promising performance of the proposed method.

  2. Rapid Prototyping for Heterogeneous Multicomponent Systems: An MPEG-4 Stream over a UMTS Communication Link

    Directory of Open Access Journals (Sweden)

    Sorel Y

    2006-01-01

    Full Text Available Future generations of mobile phones, including advanced video and digital communication layers, represent a great challenge in terms of real-time embedded systems. Programmable multicomponent architectures can provide suitable target solutions combining flexibility and computation power. The aim of our work is to develop a fast and automatic prototyping methodology dedicated to signal processing application implementation on parallel heterogeneous architectures, two major features required by future systems. This paper presents the whole methodology based on the SynDEx CAD tool that directly generates a distributed implementation onto various platforms from a high-level application description, taking real-time aspects into account. It illustrates the methodology in the context of real-time distributed executives for multilayer applications based on an MPEG-4 video codec and a UMTS telecommunication link.

  3. Rapid Prototyping for Heterogeneous Multicomponent Systems: An MPEG-4 Stream over a UMTS Communication Link

    Science.gov (United States)

    Raulet, M.; Urban, F.; Nezan, J.-F.; Moy, C.; Deforges, O.; Sorel, Y.

    2006-12-01

    Future generations of mobile phones, including advanced video and digital communication layers, represent a great challenge in terms of real-time embedded systems. Programmable multicomponent architectures can provide suitable target solutions combining flexibility and computation power. The aim of our work is to develop a fast and automatic prototyping methodology dedicated to signal processing application implementation on parallel heterogeneous architectures, two major features required by future systems. This paper presents the whole methodology based on the SynDEx CAD tool that directly generates a distributed implementation onto various platforms from a high-level application description, taking real-time aspects into account. It illustrates the methodology in the context of real-time distributed executives for multilayer applications based on an MPEG-4 video codec and a UMTS telecommunication link.

  4. Effect of nickel silicide gettering on metal-induced crystallized polycrystalline-silicon thin-film transistors

    Science.gov (United States)

    Kim, Hyung Yoon; Seok, Ki Hwan; Chae, Hee Jae; Lee, Sol Kyu; Lee, Yong Hee; Joo, Seung Ki

    2017-06-01

    Low-temperature polycrystalline-silicon (poly-Si) thin-film transistors (TFTs) fabricated via metal-induced crystallization (MIC) are attractive candidates for use in active-matrix flat-panel displays. However, these exhibit a large leakage current due to the nickel silicide being trapped at the grain boundaries of the poly-Si. We reduced the leakage current of the MIC poly-Si TFTs by developing a gettering method to remove the Ni impurities using a Si getter layer and natively-formed SiO2 as the etch stop interlayer. The Ni trap state density (Nt) in the MIC poly-Si film decreased after the Ni silicide gettering, and as a result, the leakage current of the MIC poly-Si TFTs decreased. Furthermore, the leakage current of MIC poly-Si TFTs gradually decreased with additional gettering. To explain the gettering effect on MIC poly-Si TFTs, we suggest an appropriate model. He received the B.S. degree in School of Advanced Materials Engineering from Kookmin University, Seoul, South Korea in 2012, and the M.S. degree in Department of Materials Science and Engineering from Seoul National University, Seoul, South Korea in 2014. He is currently pursuing the Ph.D. degree with the Department of Materials Science and Engineering, Seoul National University, Seoul. He is involved in semiconductor device fabrication technology and top-gate polycrystalline-silicon thin-film transistors. He received the M.S. degree in innovation technology from Ecol Polytechnique, Palaiseau, France in 2013. He is currently pursuing the Ph.D. degree with the Department of Materials Science and Engineering, Seoul National University, Seoul. He is involved in semiconductor device fabrication technology and bottom-gate polycrystalline-silicon thin-film transistors. He is currently pursuing the integrated M.S and Ph.D course with the Department of Materials Science and Engineering, Seoul National University, Seoul. He is involved in semiconductor device fabrication technology and copper

  5. Improvement of the thermal stability of nickel silicide using a ruthenium interlayer deposited via remote plasma atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Inhye [Department of Materials Science and Engineering, Hanyang University, Seoul 04763, South Korea and System LSI Manufacturing Operation Center, Samsung Electronics Co., Ltd, Gyeonggi-do 17113 (Korea, Republic of); Park, Jingyu; Jeon, Heeyoung; Kim, Hyunjung; Shin, Changhee [Department of Nano-scale Semiconductor Engineering, Hanyang University, Seoul 04763 (Korea, Republic of); Shin, Seokyoon; Lee, Kunyoung [Department of Materials Science and Engineering, Hanyang University, Seoul 04763 (Korea, Republic of); Jeon, Hyeongtag, E-mail: hjeon@hanyang.ac.kr [Department of Materials Science and Engineering, Hanyang University, Seoul 04763, South Korea and Department of Nano-scale Semiconductor Engineering, Hanyang University, Seoul 04763 (Korea, Republic of)

    2016-05-15

    In this study, the effects of a thin Ru interlayer on the thermal and morphological stability of NiSi have been investigated. Ru and Ni thin films were deposited sequentially to form a Ni/Ru/Si bilayered structure, without breaking the vacuum, by remote plasma atomic layer deposition (RPALD) on a p-type Si wafer. After annealing at various temperatures, the thermal stabilities of the Ni/Ru/Si and Ni/Si structures were investigated by various analysis techniques. The results showed that the sheet resistance of the Ni/Ru/Si sample was consistently lower compared to the Ni/Si sample over the entire temperature range. Although both samples exhibited the formation of NiSi{sub 2} phases at an annealing temperature of 800 °C, as seen with glancing angle x-ray diffraction, the peaks of the Ni/Ru/Si sample were observed to have much weaker intensities than those obtained for the Ni/Si sample. Moreover, the NiSi film with a Ru interlayer exhibited a better interface and improved surface morphologies compared to the NiSi film without a Ru interlayer. These results show that the phase transformation of NiSi to NiSi{sub 2} was retarded and that the smooth NiSi/Si interface was retained due to the activation energy increment for NiSi{sub 2} nucleation that is caused by adding a Ru interlayer. Hence, it can be said that the Ru interlayer deposited by RPALD can be used to control the phase transformation and physical properties of nickel silicide phases.

  6. Kinetics of crystallization of a Fe-based multicomponent amorphous ...

    Indian Academy of Sciences (India)

    However, metallic glasses are in a thermodynamically metastable state and in case of high temperature operating conditions, the thermally activated crystallization would be detrimental to their magnetic properties. The study of crystallization kinetics of metallic glasses gives useful insight about its thermal stability.

  7. Piperazine scaffolds via isocyanide-based multicomponent reactions

    NARCIS (Netherlands)

    Dömling, Alexander; Huang, Yijun

    2010-01-01

    Piperazine scaffolds are amongst the most extensively used backbones in medicinal chemistry and many bioactive compounds are built upon this template. The physicochemical properties and the three-dimensional structures of the different piperazine chemotypes are of utmost importance to understanding

  8. Use of piezoelectric multicomponent force measuring devices in fluid mechanics

    Science.gov (United States)

    Richter, A.; Stefan, K.

    1979-01-01

    The characterisitics of piezoelectric multicomponent transducers are discussed, giving attention to the advantages of quartz over other materials. The main advantage of piezoelectric devices in aerodynamic studies is their ability to indicate rapid changes in the values of physical parameters. Problems in the accuracy of measurments by piezoelectric devices can be overcome by suitable design approaches. A practical example is given of how such can be utilized to measure rapid fluctuations of fluid forces exerted on a circular cylinder mounted in a water channel.

  9. Multi-component optical azimuthons of four-wave mixing

    Science.gov (United States)

    Wang, Rui-Min; Wang, Xing-Peng; Wu, Zhen-Kun; Yao, Xin; Zhang, Yi-Qi; Zhang, Yan-Peng

    2014-05-01

    We report the multi-component optical azimuthons of four-wave mixing (FWM) composed of several modulated vortex beams, the so-called azimuthons, in V-type three-level and two-level atomic systems. We analyze the formation mechanisms of the FWM azimuthons theoretically and experimentally. In addition, we illustrate the interactions between the co-propagating azimuthon components. Finally, we also compare the stabilities of azimuthons in V-type three-level and two-level atomic systems.

  10. Fluid description of multi-component solar partially ionized plasma

    Energy Technology Data Exchange (ETDEWEB)

    Khomenko, E., E-mail: khomenko@iac.es; Collados, M.; Vitas, N. [Instituto de Astrofísica de Canarias, 38205 La Laguna, Tenerife (Spain); Departamento de Astrofísica, Universidad de La Laguna, 38205 La Laguna, Tenerife (Spain); Díaz, A. [Departament de Física, Universitat de les Illes Balears, E-07122 Palma de Mallorca (Spain)

    2014-09-15

    We derive self-consistent formalism for the description of multi-component partially ionized solar plasma, by means of the coupled equations for the charged and neutral components for an arbitrary number of chemical species, and the radiation field. All approximations and assumptions are carefully considered. Generalized Ohm's law is derived for the single-fluid and two-fluid formalism. Our approach is analytical with some order-of-magnitude support calculations. After general equations are developed, we particularize to some frequently considered cases as for the interaction of matter and radiation.

  11. Novel High Pressure Multi-Component Diffusion Cell

    OpenAIRE

    Elma, Muthia; Massarotto, Paul; Rudolph, Victor

    2012-01-01

    A novel high pressure multi-component diffusion cell (HPMCDC) apparatus has been designed and built to measure single and binary gas diffusion, including co-current and counter-diffusion, from low to high pressures. The apparatus incorporates capability to investigate scale effects in solid coal specimens, up to 25 mm in diameter and 25 mm in thickness. Future experiments will be conducted to measure diffusion and counter-diffusion of CH4 and CO2 gases in solid coal, at various temperatures, ...

  12. Liquid chromatographic determination of acetaminophen in multicomponent analgesic tablets.

    Science.gov (United States)

    Krieger, D J

    1984-01-01

    A simple, rapid LC method is presented for the separation and determination of acetaminophen in analgesic preparations containing up to 6 additional active components. The method uses a C18 reverse phase column, methanol-0.75% acetic acid (1 + 3) mobile phase, and photometric detection in the ultraviolet region. Acetaminophen was effectively separated from chlorpheniramine maleate, phenylephrine hydrochloride, caffeine, salicylamide, aspirin, and phenacetin, as well as from salicylic acid, a degradation product of aspirin. Typical chromatograms of the separation of acetaminophen from the above compounds in synthetic mixture and in commercial multicomponent analgesic preparations are presented, along with reproducibility and recovery data.

  13. Biosorption of Metals from Multi-Component Bacterial Solutions

    CERN Document Server

    Tsertsvadze, L A; Petriashvili, Sh G; Chutkerashvili, D G; Kirkesali, E I; Frontasyeva, M V; Pavlov, S S; Gundorina, S F

    2002-01-01

    The method of extraction of metals from industrial solutions by means of economical and easy to apply biosorbents in subtropics such as products of tea manufacturing, moss, microorganisms is described. The multi-component solutions obtained in the process of leaching of ores, rocks and industrial wastes by peat suspension were used in the experiments. The element composition of sorbent biomass and solutions was investigated by epithermal neutron activation analysis and by atomic absorption spectrometry. The results obtained evidence that the used biosorbents are applicable for extraction of the whole set of heavy metals and actinides (U, Th, Cu, Mn, Fe, Pb, Li, Rb, Sr, Cd, As, Co and others) from industrial solutions.

  14. Alcohol-Related Information in Multi-Component Interventions and College Students' Drinking Behavior

    Science.gov (United States)

    Thadani, Vandana; Huchting, Karen; LaBrie, Joseph

    2009-01-01

    Education-only interventions produce little change in drinking behaviors; but, multi-component prevention programs, which include alcohol information as one feature, can decrease drinking. This study examined the role of alcohol knowledge in a multi-component intervention previously found to reduce first-year female college students' alcohol…

  15. Atomistic Simulations of Dislocations in a Model BCC Multicomponent Concentrated Solid Solution Alloy (Postprint)

    Science.gov (United States)

    2016-12-19

    Dislocations ; Atomistic simulations; Concentrated multicomponent solid solution alloy; BCC crystal 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF...This has implications for higher-scale modeling ( dislocation dynamics or crystal plasticity) of HEA alloys, relative to elemental BCC metals, which...AFRL-RX-WP-JA-2017-0302 ATOMISTIC SIMULATIONS OF DISLOCATIONS IN A MODEL BCC MULTICOMPONENT CONCENTRATED SOLID SOLUTION ALLOY

  16. Mathematical Model for Multicomponent Adsorption Equilibria Using Only Pure Component Data

    DEFF Research Database (Denmark)

    Marcussen, Lis

    2000-01-01

    A mathematical model for nonideal adsorption equilibria in multicomponent mixtures is developed. It is applied with good results for pure substances and for prediction of strongly nonideal multicomponent equilibria using only pure component data. The model accounts for adsorbent-adsorbate and ads...

  17. An Evaluation of a Multicomponent Early Literacy Program for Students with Severe Developmental Disabilities

    Science.gov (United States)

    Browder, Diane; Ahlgrim-Delzell, Lynn; Flowers, Claudia; Baker, Joshua

    2012-01-01

    This study evaluated the effectiveness of a multicomponent early literacy curriculum that included phonics and phonemic awareness in comparison to a sight word approach. A total of 93 students with severe developmental disabilities who were enrolled in Grades K through 4 were randomly assigned to either a multicomponent early literacy curriculum…

  18. [Design and analyze mathematical algorithms of intestinal absorption and metabolism of multicomponent drug].

    Science.gov (United States)

    Dong, Ling; Xiang, Jia-Mei; Wang, Yun; Wu, Rui-Guang; Tang, Ming-Min; Sun, Mo-Han

    2014-12-01

    Evaluation of the permeability mainly focuses on intestinal absorption in biopharmaceutics classification system (BCS). It is more complicated that the absorption and metabolism under multicomponent environment in biopharmaceutics classification system of Chinese materia medica (CMMBCS) compared with single component environment, which needs suitable mathematical models to be described. Therefore, with full consideration of existing single component mathematical algorithm combining with the characteristics of intestinal absorption and metabolism, we explored and designed a new mathematical algorithm of intestinal absorption and metabolism of multicomponent drug. Then we put forward a new coefficient, P (influence), the relative change rate of the single component's intestinal absorption and metabolism under multicomponent environment compared with single component environment, which described the influences of intestinal absorption and metabolism of the component under multicomponent environment. Moreover, P (influence) highlights the distinctive characteristics of multicomponent drug's intestinal absorption and metabolism, and lays the foundation for the construction of CMMBCS.

  19. Observation of ion acoustic multi-Peregrine solitons in multicomponent plasma with negative ions

    Science.gov (United States)

    Pathak, Pallabi; Sharma, Sumita K.; Nakamura, Y.; Bailung, H.

    2017-12-01

    The evolution of the multi-Peregrine soliton is investigated in a multicomponent plasma and found to be critically dependent on the initial bound state. Formation and splitting of Peregrine soliton, broadening of the frequency spectra provide clear evidence of nonlinear-dispersive focusing due to modulational instability, a generic mechanism for rogue wave formation in which amplitude and phase modulation grow as a result of interplay between nonlinearity and anomalous dispersion. We have shown that initial perturbation parameters (amplitude & temporal length) critically determine the number of solitons evolution. It is also found that a sufficiently long wavelength perturbation of high amplitude invoke strong nonlinearity to generate a supercontinuum state. Continuous Wavelet Transform (CWT) and Fast Fourier Transform (FFT) analysis of the experimental time series data clearly indicate the spatio-temporal localization and spectral broadening. We consider a model based on the frame work of Nonlinear Schrodinger equation (NLSE) to explain the experimental observations.

  20. Physical mechanisms of micro- and nanodomain formation in multicomponent lipid membranes

    CERN Document Server

    Schmid, Friederike

    2016-01-01

    This article summarizes a variety of physical mechanisms proposed in the literature, which can generate micro- and nanodomains in multicomponent lipid bilayers and biomembranes. It mainly focusses on lipid-driven mechanisms that do not involve direct protein-protein interactions. Specifically, it considers (i) equilibrium mechanisms based on lipid-lipid phase separation such as critical cluster formation close to critical points, and multiple domain formation in curved geometries, (ii) equilibrium mechanisms that stabilize two-dimensional microemulsions, such as the effect of linactants and the effect of curvature-composition coupling in bilayers and monolayers, and (iii) non-equilibrium mechanisms induced by the interaction of a biomembrane with the cellular environment, such as membrane recycling and the pinning effects of the cytoplasm. Theoretical predictions are discussed together with simulations and experiments. The presentation is guided by the theory of phase transitions and critical phenomena, and t...

  1. Ammonia and carbon dioxide regeneration from multicomponent solutions: II - Simulation and analysis of results

    Directory of Open Access Journals (Sweden)

    Jotanović Milovan B.

    2002-01-01

    Full Text Available This study describes the simulation of the technological process of NH3 and CO2 regeneration from the multicomponent solution NH3-CO2-NaCl-NH4Cl, based on a developed mathematical model of the process. All the parameters of the technological process were obtained from the simulation, and they represent the mass flow rates as well as the physical and chemical properties (pressure, temperature,.. of all the flows shown on the process flowsheet. The calculation of numerous variations of the process also enabled the analysis and establishment for a relation between the crucial process variables and the steam and liquid phase supply. These relations are important for the absorption-desorption process of synthesis, operating process analysis and process control.

  2. Phase-field modeling of isothermal quasi-incompressible multicomponent liquids

    Science.gov (United States)

    Tóth, Gyula I.

    2016-09-01

    In this paper general dynamic equations describing the time evolution of isothermal quasi-incompressible multicomponent liquids are derived in the framework of the classical Ginzburg-Landau theory of first order phase transformations. Based on the fundamental equations of continuum mechanics, a general convection-diffusion dynamics is set up first for compressible liquids. The constitutive relations for the diffusion fluxes and the capillary stress are determined in the framework of gradient theories. Next the general definition of incompressibility is given, which is taken into account in the derivation by using the Lagrange multiplier method. To validate the theory, the dynamic equations are solved numerically for the quaternary quasi-incompressible Cahn-Hilliard system. It is demonstrated that variable density (i) has no effect on equilibrium (in case of a suitably constructed free energy functional) and (ii) can influence nonequilibrium pattern formation significantly.

  3. Interlamellar Organization of Phase Separated Domains in Multi-Component Lipid Multilayers: Energetic Considerations

    Directory of Open Access Journals (Sweden)

    Daryoosh Vashaee

    2013-02-01

    Full Text Available A recent experimental study [1] has demonstrated the alignment of phase separated domains across hundreds of bilayer units in multicomponent stacked lipid bilayers. The origin of this alignment is the interlamellar coupling of laterally phase separated domains. Here, we develop a theoretical model that presents the energetics description of this phenomenon based on the minimization of the free energy of the system. Specifically, we use solution theory to estimate the competition between energy and entropy in different stacking configurations. The model furnishes an elemental phase diagram, which maps the domain distributions in terms of the strength of the intra- and inter-layer interactions and estimates the value of inter-layer coupling for complete alignment of domains in the stacks of five and ten bilayers. The area fraction occupied by co-existing phases was calculated for the system of the minimum free energy, which showed a good agreement with experimental observations.

  4. Multicomponent Quantum Hall Ferromagnetism and Landau Level Crossing in Rhombohedral Trilayer Graphene.

    Science.gov (United States)

    Lee, Y; Tran, D; Myhro, K; Velasco, J; Gillgren, N; Poumirol, J M; Smirnov, D; Barlas, Y; Lau, C N

    2016-01-13

    Using transport measurements, we investigate multicomponent quantum Hall (QH) ferromagnetism in dual-gated rhombohedral trilayer graphene (r-TLG) in which the real spin, orbital pseudospin, and layer pseudospins of the lowest Landau level form spontaneous ordering. We observe intermediate QH plateaus, indicating a complete lifting of the degeneracy of the zeroth Landau level (LL) in the hole-doped regime. In charge neutral r-TLG, the orbital degeneracy is broken first, and the layer degeneracy is broken last and only in the presence of an interlayer potential U⊥. In the phase space of U⊥ and filling factor ν, we observe an intriguing "hexagon" pattern, which is accounted for by a model based on crossings between symmetry-broken LLs.

  5. 40 CFR Appendix A to Subpart D of... - Determination of Volatile Matter Content of Methacrylate Multicomponent Coatings Used as Traffic...

    Science.gov (United States)

    2010-07-01

    ... Content of Methacrylate Multicomponent Coatings Used as Traffic Marking Coatings A Appendix A to Subpart D... Appendix A to Subpart D of Part 59—Determination of Volatile Matter Content of Methacrylate Multicomponent... content of methacrylate multicomponent coatings used as traffic marking coatings. 1.2Principle. A known...

  6. Carrier-transport mechanism of Er-silicide Schottky contacts to strained-silicon-on-insulator and silicon-on-insulator.

    Science.gov (United States)

    Jyothi, I; Janardhanam, V; Kang, Min-Sung; Yun, Hyung-Joong; Lee, Jouhahn; Choi, Chel-Jong

    2014-11-01

    The current-voltage characteristics and the carrier-transport mechanism of the Er-silicide (ErSi1.7) Schottky contacts to strained-silicon-on-insulator (sSOI) and silicon-on-insulator (SOI) were investigated. Barrier heights of 0.74 eV and 0.82 eV were obtained for the sSOI and SOI structures, respectively. The barrier height of the sSOI structure was observed to be lower than that of the SoI structure despite the formation of a Schottky contact using the same metal silicide. The sSOI structure exhibited better rectification and higher current level than the SOI structure, which could be associated with a reduction in the band gap of Si caused by strain. The generation-recombination mechanism was found to be dominant in the forward bias for both structures. Carrier generation along with the Poole-Frenkel mechanism dominated the reverse-biased current in the SOI structure. The saturation tendency of the reverse leakage current in the sSOI structure could be attributed to strain-induced defects at the interface in non-lattice-matched structures.

  7. 45Sc Solid State NMR studies of the silicides Sc TSi ( T=Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt)

    Science.gov (United States)

    Harmening, Thomas; Eckert, Hellmut; Fehse, Constanze M.; Sebastian, C. Peter; Pöttgen, Rainer

    2011-12-01

    The silicides Sc TSi ( T=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt) were synthesized by arc-melting and characterized by X-ray powder diffraction. The structures of ScCoSi, ScRuSi, ScPdSi, and ScIrSi were refined from single crystal diffractometer data. These silicides crystallize with the TiNiSi type, space group Pnma. No systematic influences of the 45Sc isotropic magnetic shift and nuclear electric quadrupolar coupling parameters on various structural distortion parameters calculated from the crystal structure data can be detected. 45Sc MAS-NMR data suggest systematic trends in the local electronic structure probed by the scandium atoms: both the electric field gradients and the isotropic magnetic shifts relative to a 0.2 M aqueous Sc(NO 3) 3 solution decrease with increasing valence electron concentration and within each T group the isotropic magnetic shift decreases monotonically with increasing atomic number. The 45Sc nuclear electric quadrupolar coupling constants are generally well reproduced by quantum mechanical electric field gradient calculations using the WIEN2k code.

  8. Communication: A new paradigm for structure prediction in multicomponent systems

    Science.gov (United States)

    Schebarchov, D.; Wales, D. J.

    2013-12-01

    We analyse the combinatorial aspect of global optimisation for multicomponent systems, which involves searching for the optimal chemical ordering by permuting particles corresponding to different species. The overall composition is presumed fixed, and the geometry is relaxed after each permutation in order to relieve local strain. From ideas used to solve graph partitioning problems we devise a deterministic search scheme that outperforms (by orders of magnitude) conventional and self-guided basin-hopping global optimisation. The search is guided by the energy gain from either swapping particles i and j (ΔEij) or changing the identity of particles i (ΔEi). These quantities are derived from the underlying (arbitrary) energy function, hence not constituting external bias, and for site-separable force fields each ΔEi can be approximated simply and efficiently. In our self-guided variant of basin-hopping, particles are weighted by an approximate ΔEi when randomly selected for an exchange, yielding a significant improvement for segregated multicomponent systems with modest particle size mismatch.

  9. Smoking cessation after 12 months with multi-component therapy.

    Science.gov (United States)

    Raich, Antònia; Martínez-Sánchez, Jose Maria; Marquilles, Emili; Rubio, Lídia; Fu, Marcela; Fernández, Esteve

    2015-03-01

    Smoking is one of the most important causes of morbidity and mortality in developed countries. One of the priorities of public health programmes is the reduction of its prevalence, which would involve millions of people quitting smoking, but cessation programs often have modest results, especially within certain population groups. The aim of this study was to analyze the variables determining the success of a multicomponent therapy programme for smoking cessation. We conducted the study in the Smoking Addiction Unit at the Hospital of Manresa, with 314 patients (91.4% of whom had medium or high-level dependency). We observed that higher educational level, not living with a smoker, following a multimodal programme or smoking cessation with psychological therapy, and pharmacological treatment are relevant factors for quitting smoking. Abstinence rates are not associated with other factors, such as sex, age, smoking behaviour characteristics or psychiatric history. The combination of pharmacological and psychological treatment increased success rates in multicomponent therapy. Psychological therapy only also obtained positive results, though somewhat more modest.

  10. Acute glucocorticoid effects on the multicomponent model of working memory.

    Science.gov (United States)

    Vaz, Leonardo José; Pradella-Hallinan, Márcia; Bueno, Orlando Francisco Amodeo; Pompéia, Sabine

    2011-10-01

    In comparison with basal physiological levels, acute, high levels of cortisol affect learning and memory. Despite reports of cortisol-induced episodic memory effects, no study has used a comprehensive battery of tests to evaluate glucocorticoid effects on the multicomponent model of working memory. Here, we report the results of a double-blind, placebo-controlled, between-subjects study. Twenty healthy young men were randomly assigned to either acute cortisol (30 mg hydrocortisone) or placebo administration. Participants were subjected to an extensive cognitive test battery that evaluated all systems of the multicomponent model of working memory, including various executive domains (shifting, updating, inhibition, planning and access to long-term memory). Compared with placebo, hydrocortisone administration increased cortisol blood levels and impaired working memory in storage of multimodal information in the episodic buffer and maintenance/reverberation of information in the phonological loop. Hydrocortisone also decreased performance in planning and inhibition tasks, the latter having been explained by changes in storage of information in working memory. Thus, hydrocortisone acutely impairs various components of working memory, including executive functioning. This effect must be considered when administering similar drugs, which are widely used for the treatment of many clinical disorders. Copyright © 2011 John Wiley & Sons, Ltd.

  11. Thermoelectric characteristics of iron silicide thermoelectric converter with the transition metallic compound as an additive; Sen`i kinzoku kagobutsu wo tenkabutsu to shita keikatetsu netsuden soshi no netsuden tokusei

    Energy Technology Data Exchange (ETDEWEB)

    Hayashibara, M.; Oda, M. [Hitachi, Ltd., Tokyo (Japan)

    1994-04-13

    The thin film must be converted into a bulky shape in order that the high electric power may be produced by the iron silicide thermoelectric converter. Study was then made to establish the homogeneous bulk production method, in which the additive must diffuse sufficiently in the iron silicide and bond strongly to it during the sintering. Selected as an additive in the present study, Co compounds were all decomposed below the sintering temperature and remained in the iron silicide. The Co sulfide, phosphide, bromide and iodide were particularly high in reactivity with the iron silicide. The Co, of which the added quantity was proportional to the electric conductivity, was almost homogenized into a solid solution. In the experiment, both Co sulfide and phosphide were equal in thermoelectric power as an additive. The Co bromide and iodide were maximally about 10% and 50%, respectively lower in thermoelectric power than the Co sulfide. It is attributable to the FeSi2 reformed to the electrically insulating SiO2 and low-thermoelectric power FeSi, because both Co bromide and iodide are oxidizing compounds. 7 refs., 10 figs.

  12. Multicomponent fortified human milk for promoting growth in preterm infants.

    Science.gov (United States)

    Kuschel, C A; Harding, J E

    2004-01-01

    For term infants, human milk provides adequate nutrition to facilitate growth, as well as potential beneficial effects on immunity and the maternal-infant emotional state. However, the role of human milk in premature infants is less well defined as it contains insufficient quantities of some nutrients to meet the estimated needs of the infant. Observational studies have suggested that infants fed formula have a higher rate of growth than infants who are breast fed. However, there are potential short term and long term benefits from human milk. Commercially-produced multicomponent fortifiers provide additional nutrients to supplement human milk (in the form of protein, calcium, phosphate, and carbohydrate, as well as vitamins and trace minerals). The main objective was to determine if addition of multicomponent nutritional supplements to human milk leads to improved growth, bone metabolism and neurodevelopmental outcomes without significant adverse effects in premature infants. Searches were made of the Cochrane Central Register of Controlled Trials (CENTRAL, The Cochrane Library, Issue 2, 3003), MEDLINE (searched August 29, 2003), previous reviews including cross references, abstracts, conferences and symposia proceedings, expert informants, journal handsearching mainly in the English language. All trials utilising random or quasi-random allocation to supplementation of human milk with multiple nutrients or no supplementation in premature infants within a nursery setting were eligible. Data were extracted using the standard methods of the Cochrane Collaboration and its Neonatal Review Group, with separate evaluation of trial quality and data extraction by each author and synthesis of data using relative risk and weighted mean difference. Supplementation of human milk with multicomponent fortifiers is associated with short term increases in weight gain, linear and head growth. There is no effect on serum alkaline phosphatase levels; it is not clear if there is an

  13. Boiling of multicomponent working fluids used in refrigeration and cryogenic systems

    Science.gov (United States)

    Mogorychny, V. I.; Dolzhikov, A. S.

    2017-11-01

    Working fluids based on mixtures are widely used in cryogenic and refrigeration engineering. One of the main elements of low-temperature units is a recuperative heat exchanger where the return flow cools the direct (cold regeneration is carrying out) resulting in continuous boiling and condensation of the multicomponent working fluid in the channels. The temperature difference between the inlet and outlet of the heat exchanger can be more than 100K, which leads to a strong change in thermophysical properties along its length. In addition, the fraction of the liquid and vapor phases in the flow varies very much, which affects the observed flow regimes in the heat exchanger channels. At the moment there are not so many experimental data and analytical correlations that would allow to estimate the heat transfer coefficient during the flow of a two-phase mixture flow at low temperatures. The work is devoted to the study of the boiling process of multicomponent working fluids used in refrigeration and cryogenic engineering. The description of the method of determination of heat transfer coefficient during boiling of mixtures in horizontal heated channel is given as well as the design of the experimental stand allowing to make such measurements. This stand is designed on the basis of a refrigeration unit operating on the Joule-Thomson throttle cycle and makes it possible to measure the heat transfer coefficient with a good accuracy. Also, the calculated values of the heat transfer coefficient, obtained with the use of various correlations, are compared with the existing experimental data. Knowing of the heat transfer coefficient will be very useful in the design of heat exchangers for low-temperature units operating on a mixture refrigerant.

  14. Electrospinning of multicomponent ultrathin fibrous nonwovens for semi-occlusive wound dressings.

    Science.gov (United States)

    Hong, Youliang; Li, Yanan; Zhuang, Xiuli; Chen, Xuesi; Jing, Xiabin

    2009-05-01

    This work describes the design and assembly of multifunctional and cost-efficient composite fiber nonwovens as semi-occlusive wound dressings using a simple electrospinning process to incorporate a variety of functional components into an ultrathin fiber. These components include non-hydrophilic poly(L-lactide) (PLLA) as fibrous backbone, hydrophilic poly(vinyl pyrrolidone)-iodine (PVP-I), TiO(2) nanoparticles, zinc chloride as antimicrobial, odor-controlling, and antiphlogistic agents, respectively. The process of synthesis starts with a multicomponent solution of PLLA, PVP, TiO(2) nanoparticles plus zinc chloride, in which TiO(2) nanoparticles are synthesized by in situ hydrolysis of TiO(2) precursors in a PVP solution for the sake of obtaining the particle-uniformly dispersive solution. Subsequent electrospinning generates the corresponding composite fibers. A further iodine vapor treatment to the composite fibers combines iodine with PVP to produce the PVP-I complexes. Experiments indicate that the assembled composite fibers (300-400 nm) possess the ointment-releasing characteristic and the phase-separate, core-sheath structures in which PVP-I residing in fiber surface layer becomes the sheath, and PLLA distributing inside the fiber acts as the core. Based on this design, the structural advantages combining active components endow the assembled composite nonwovens with a variety of functions, especially, the existence of PVP-I, endows the nonwoven with water absorbability, antimicrobial activity, adhesive ability, and transformable characteristic from hydrophilicity to non-hydrophilicity. The multifunctional, cost-efficient, and ointment-releasing characteristics make the multicomponent composite fibrous nonwovens potentially useful in applications such as initial stage of dressing of the cankerous or contaminated wounds.

  15. A multi-component lattice Boltzmann scheme: towards the mesoscale simulation of blood flow.

    Science.gov (United States)

    Dupin, M M; Halliday, I; Care, C M

    2006-01-01

    While blood at the macroscopic scale is frequently treated as a continuum by techniques such as computational fluid dynamics, its mesoscale behaviour is not so well investigated or understood. At this scale, the deformability of each cell within the plasma is important and cannot be ignored. However there is currently a lack of efficient computational techniques able to simulate a large number of deformable particles such as blood cells. This paper addresses this problem and demonstrates the applicability of the authors' recent multi-component lattice Boltzmann method for the simulation of a large number of mutually immiscible liquid species [Dupin MM, Halliday I, Care CM. Multi-component lattice boltzmann equation for mesoscale blood flow. J Phys A: Math Gen 2003;36:8517-34]. In here, biological cells are treated as immiscible, deformable, and relatively viscous drops (compared to the surrounding fluid). The validation of the model is based on the work of Goldsmith on the flow of solid particles, deformable particles and red blood cells [Goldsmith HL, Marlow JC. Flow behavior of erythrocytes. II. Particle motions in concentrated suspensions of ghost cells. J Colloid Interf Sci 1979;71:383-407]. We demonstrate, in particular, that the model recovers Goldsmith's observations on the flow properties of red blood cells and also the experimental observations of Frank on the flow of solid beads [Frank M, Anderson D, Weeks ER, Morris JF. Particle migration in pressure-driven flow of a brownian suspension. J Fluid Mech 2003;493:363-78]. The current article is the first validation of our new lattice Boltzmann model for a large number of deformable particles in this context and demonstrates that the method provides a new, and effective, approach for the modeling of mesoscale blood flow.

  16. Inverse modeling of multicomponent reactive transport through single and dual porosity media

    Science.gov (United States)

    Samper, Javier; Zheng, Liange; Fernández, Ana María; Montenegro, Luis

    2008-06-01

    Compacted bentonite is foreseen as buffer material for high-level radioactive waste in deep geological repositories because it provides hydraulic isolation, chemical stability, and radionuclide sorption. A wide range of laboratory tests were performed within the framework of FEBEX ( Full-scale Engineered Barrier EXperiment) project to characterize buffer properties and develop numerical models for FEBEX bentonite. Here we present inverse single and dual-continuum multicomponent reactive transport models of a long-term permeation test performed on a 2.5 cm long sample of FEBEX bentonite. Initial saline bentonite porewater was flushed with 5.5 pore volumes of fresh granitic water. Water flux and chemical composition of effluent waters were monitored during almost 4 years. The model accounts for solute advection and diffusion and geochemical reactions such as aqueous complexation, acid-base, cation exchange, protonation/deprotonation by surface complexation and dissolution/precipitation of calcite, chalcedony and gypsum. All of these processes are assumed at local equilibrium. Similar to previous studies of bentonite porewater chemistry on batch systems which attest the relevance of protonation/deprotonation on buffering pH, our results confirm that protonation/deprotonation is a key process in maintaining a stable pH under dynamic transport conditions. Breakthrough curves of reactive species are more sensitive to initial porewater concentration than to effective diffusion coefficient. Optimum estimates of initial porewater chemistry of saturated compacted FEBEX bentonite are obtained by solving the inverse problem of multicomponent reactive transport. While the single-continuum model reproduces the trends of measured data for most chemical species, it fails to match properly the long tails of most breakthrough curves. Such limitation is overcome by resorting to a dual-continuum reactive transport model.

  17. Numerical Modelling of Multi-Phase Multi-Component Reactive Transport in the Earth's interior

    Science.gov (United States)

    Oliveira, Beñat; Afonso, Juan Carlos; Zlotnik, Sergio; Tilhac, Romain

    2017-04-01

    We present a conceptual and numerical approach to model processes in the Earth's interior that involve multiple phases that simultaneously interact thermally, mechanically and chemically. The approach is truly multiphase in the sense that each dynamic phase is explicitly modelled with an individual set of mass, momentum, energy and chemical mass balance equations coupled via interfacial interaction terms. It is also truly multi-component in the sense that the compositions of the system and its constituent thermodynamic phases are expressed by a full set of fundamental chemical components (e.g. SiO_2, Al_2O_3, MgO, etc) rather than proxies. In contrast to previous approaches these chemical components evolve, react with, and partition into, different phases with different physical properties according to an internally-consistent thermodynamic model. This enables a thermodynamically-consistent coupling of the governing set of balance equations. Interfacial processes such as surface tensions and/or surface energy contributions to the dynamics and energetics of the system are also taken into account. The model presented here describes the evolution of systems governed by Multi-Phase Multi-Component Reactive Transport (MPMCRT) based on Ensemble Averaging and Classical Irreversible Thermodynamics principles. This novel approach provides a flexible platform to study the dynamics and non-linear feedbacks occurring within various natural systems at different scales. This notably includes major- and trace-element transport, diffusion-controlled trace-element re-equilibration or rheological changes associated with melt generation and migration in the Earth's mantle.

  18. Inverse modeling of multicomponent reactive transport through single and dual porosity media.

    Science.gov (United States)

    Samper, Javier; Zheng, Liange; Fernández, Ana María; Montenegro, Luis

    2008-06-06

    Compacted bentonite is foreseen as buffer material for high-level radioactive waste in deep geological repositories because it provides hydraulic isolation, chemical stability, and radionuclide sorption. A wide range of laboratory tests were performed within the framework of FEBEX (Full-scale Engineered Barrier EXperiment) project to characterize buffer properties and develop numerical models for FEBEX bentonite. Here we present inverse single and dual-continuum multicomponent reactive transport models of a long-term permeation test performed on a 2.5 cm long sample of FEBEX bentonite. Initial saline bentonite porewater was flushed with 5.5 pore volumes of fresh granitic water. Water flux and chemical composition of effluent waters were monitored during almost 4 years. The model accounts for solute advection and diffusion and geochemical reactions such as aqueous complexation, acid-base, cation exchange, protonation/deprotonation by surface complexation and dissolution/precipitation of calcite, chalcedony and gypsum. All of these processes are assumed at local equilibrium. Similar to previous studies of bentonite porewater chemistry on batch systems which attest the relevance of protonation/deprotonation on buffering pH, our results confirm that protonation/deprotonation is a key process in maintaining a stable pH under dynamic transport conditions. Breakthrough curves of reactive species are more sensitive to initial porewater concentration than to effective diffusion coefficient. Optimum estimates of initial porewater chemistry of saturated compacted FEBEX bentonite are obtained by solving the inverse problem of multicomponent reactive transport. While the single-continuum model reproduces the trends of measured data for most chemical species, it fails to match properly the long tails of most breakthrough curves. Such limitation is overcome by resorting to a dual-continuum reactive transport model.

  19. Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pKa Determination and Multicomponent Analysis

    Directory of Open Access Journals (Sweden)

    Giora Rytwo

    2009-12-01

    Full Text Available A Matlab implemented computer code for spectral resolution is presented. The code enables the user to resolve the UV-visible absorption spectrum of a mixture of up to 3 previously known components, to the individual components, thus, evaluating their quantities. The resolving procedure is based on searching the combination of the components which yields the spectrum which is the most similar (minimal RMSE to the measured spectrum of the mixture. Examples of using the software for pKa value estimation and multicomponent analysis are presented and other implementations are suggested.

  20. Enhancing cognitive functioning in the elderly: multicomponent vs resistance training

    Directory of Open Access Journals (Sweden)

    Forte R

    2013-01-01

    Full Text Available Roberta Forte,1,2 Colin AG Boreham,1 Joao Costa Leite,3 Giuseppe De Vito,1 Lorraine Brennan,3 Eileen R Gibney,3 Caterina Pesce21Institute for Sport and Health, University College Dublin, Dublin, Ireland; 2Department of Human Movement and Sport Science, University of Rome "Foro Italico," Rome, Italy; 3Institute of Food and Health, University College Dublin, Dublin, IrelandPurpose: The primary purpose of this study was to compare the effects of two different exercise training programs on executive cognitive functions and functional mobility in older adults. A secondary purpose was to explore the potential mediators of training effects on executive function and functional mobility with particular reference to physical fitness gains.Methods: A sample of 42 healthy community dwelling adults aged 65 to 75 years participated twice weekly for 3 months in either: (1 multicomponent training, prioritizing neuromuscular coordination, balance, agility, and cognitive executive control; or (2 progressive resistance training for strength conditioning. Participants were tested at baseline (T1, following a 4-week control period (T2, and finally at postintervention (T3 for executive function (inhibition and cognitive flexibility and functional mobility (maximal walking speed with and without additional task requirements. Cardiorespiratory and muscular fitness were also assessed as potential mediators.Results: Indices of inhibition, the functions involved in the deliberate withholding of prepotent or automatic responses, and measures of functional mobility improved after the intervention, independent of training type. Mediation analysis suggested that different mechanisms underlie the effects of multicomponent and progressive resistance training. While multicomponent training seemed to directly affect inhibitory capacity, resistance training seemed to affect it indirectly through gains in muscular strength. Physical fitness and executive function variables did not

  1. Multicomponent Hetero-[4 + 2] Cycloaddition/Allylboration Reaction: From Natural Product Synthesis to Drug Discovery.

    Science.gov (United States)

    Hall, Dennis G; Rybak, Taras; Verdelet, Tristan

    2016-11-15

    chemical diversity. Biological screening of these druglike imidopiperidine libraries unveiled promising bioactive agents such as A12B4C3, the first reported inhibitor of the human DNA repair enzyme, polynucleotide kinase-phosphatase (hPNKP). Related applications of this MCR in target-oriented synthesis also led to total syntheses of palustrine alkaloids. The inverse electron-demand oxa[4 + 2] cycloaddition/allyboration variant can take advantage of Jacobsen's chiral Cr(III)salen catalyst, affording a rare example of catalytic enantioselective MCR, one that provides a rapid access to α-hydroxyalkyl dihydropyrans in high enantio- and diastereoselectivity. This process exploits 3-boronoacrolein pinacolate as the heterodiene with ethyl vinyl ether or various 2-substituted enol ethers, along with a wide variety of aldehydes in the allylation stage. This versatile methodology was deployed in total syntheses of thiomarinol antibiotics, goniodiol and its derivatives, and the complex anticancer macrolide palmerolide A. More recent work from our laboratory centered on the regio- and stereoselective Suzuki-Miyaura cross-coupling of the dihydropyranyl boronates, thus providing a glimpse of the potential for new multicomponent variants that merge hetero[4 + 2] cycloadditions of 1-borylated heterodienes with transition metal-catalyzed transformations. This stereoselective MCR strategy holds great promise for provoking continuing applications in complex molecule synthesis and drug discovery, and is likely to inspire new and innovative MCR-based approaches to nonaromatic heterocycles.

  2. Thin film molybdenum silicide as potential temperature sensors for turbine engines

    Science.gov (United States)

    Ho, C. H.; Prakash, S.; Deshpandey, C. V.; Doerr, H. J.; Bunshah, R. F.

    1989-01-01

    Temperature measurements of Mo-Si-based thin-film resistance thermometers were studied. Annealing in an argon ambient at a temperature above 1000 C for at least 1 h is required to form the stable tetragonal MoSi2 phase. With a crack-free 2-micron-thick AlN barrier layer on top, a sensor was tested up to 1200 C. The resistivity vs temperature characteristic shows the room temperature resistivity and temperature coefficient of resistivity (TCR) of the sensor to be approximately 350 microohm and 0.01195 K, respectively. No film adhesion problems were observed for at least four testing cycles.

  3. Multi-component intermetallic electrodes for lithium batteries

    Science.gov (United States)

    Thackeray, Michael M; Trahey, Lynn; Vaughey, John T

    2015-03-10

    Multi-component intermetallic negative electrodes prepared by electrochemical deposition for non-aqueous lithium cells and batteries are disclosed. More specifically, the invention relates to composite intermetallic electrodes comprising two or more compounds containing metallic or metaloid elements, at least one element of which can react with lithium to form binary, ternary, quaternary or higher order compounds, these compounds being in combination with one or more other metals that are essentially inactive toward lithium and act predominantly, but not necessarily exclusively, to the electronic conductivity of, and as current collection agent for, the electrode. The invention relates more specifically to negative electrode materials that provide an operating potential between 0.05 and 2.0 V vs. metallic lithium.

  4. Thermodynamic Database for Mg Alloys—Progress in Multicomponent Modeling

    Directory of Open Access Journals (Sweden)

    Joachim Gröbner

    2012-09-01

    Full Text Available Progress in systematic development of a thermodynamic database for Mg alloys with 21 components is reported. Models for multicomponent alloys are built in a methodical approach from quantitative descriptions of unary, binary and ternary subsystems. For a large number of ternary—and some higher—alloy systems, an evaluation of the modeling depth is made with concise reference to experimental work validating these thermodynamic descriptions. A special focus is on ternary intermetallic phase compositions. These comprise solutions of the third component in a binary compound as well as truly ternary solid solution phases, in addition to the simple ternary stoichiometric phases. Concise information on the stability ranges is given. That evaluation is extended to selected quaternary and even higher alloy systems. Thermodynamic descriptions of intermetallic solution phases guided by their crystal structure are also elaborated and the diversity of such unified phases is emphasized.

  5. [Development of the "Mannheim Multicomponent Stress Test" (MMST)].

    Science.gov (United States)

    Kolotylova, Tatyana; Koschke, Mandy; Bär, Karl-Jürgen; Ebner-Priemer, Ulrich; Kleindienst, Nikolaus; Bohus, Martin; Schmahl, Christian

    2010-02-01

    The aim of the present study was to develop and evaluate an economical stress paradigm, which can be used for the investigation of stress reactions in a laboratory setting. Different stressors were combined to investigate the changes of heart frequency and subjective stress levels as response to stressful stimulation. A combination of mental stress, noise and emotional pictures presented in the background during performing a mental arithmetic task showed significant increases in heart rate and subjective stress levels. Furthermore we tested the stress combination in 32 healthy subjects to evaluate the physiological response. We found significant changes in the cardiovascular parameters such as heart rate variability, baroreflex sensitivity and cardiac output. We conclude that the Mannheim Multicomponent Stress Test (MMST) induces high levels of physiological and psychological stress and can serve as an economical method to investigate stress reactions in a laboratory setting.

  6. Catalytic bismetallative multicomponent coupling reactions: scope, applications, and mechanisms

    Science.gov (United States)

    Cho, Hee Yeon

    2014-01-01

    Catalytic reactions have played an indispensable role in organic chemistry for the last several decades. In particular, catalytic multicomponent reactions have attracted a lot of attention due to their efficiency and expediency towards complex molecule synthesis. The presence of bismetallic reagents (e.g. B–B, Si–Si, B–Si, Si–Sn, etc.) in this process renders the products enriched with various functional groups and multiple stereocenters. For this reason, catalytic bismetallative coupling is considered an effective method to generate the functional and stereochemical complexity of simple hydrocarbon substrates. This review highlights key developments of transition-metal catalyzed bismetallative reactions involving multiple π components. Specifically, it will highlight the scope, synthetic applications, and proposed mechanistic pathways of this process. PMID:24736839

  7. Multicomponent patterned ultrathin carbon nanomembranes by laser ablation

    Science.gov (United States)

    Frese, Natalie; Scherr, Julian; Beyer, André; Terfort, Andreas; Gölzhäuser, Armin; Hampp, Norbert; Rhinow, Daniel

    2018-01-01

    Carbon nanomembranes (CNMs) are a class of two-dimensional materials, which are obtained by electron beam-induced crosslinking of aromatic self-assembled monolayers (SAMs) on solid substrates. CNMs made from a single type of precursor molecule are uniform with homogeneous chemical and physical properties. We have developed a method for the fabrication of internally patterned CNMs resembling a key feature of biological membranes. Direct laser patterning is used to obtain multicomponent patterned SAMs on gold, which are subsequently crosslinked by electron irradiation. We demonstrate that the structure of internally patterned CNMs is preserved upon transfer to different substrates. The method enables rapid fabrication of patterned 2D materials with local variations in chemical and physical properties on the micrometer to centimeter scale.

  8. Modelling phase equilibria for acid gas mixtures using the CPA equation of state. Part VI. Multicomponent mixtures with glycols relevant to oil and gas and to liquid or supercritical CO2 transport applications

    DEFF Research Database (Denmark)

    Tsivintzelis, Ioannis; Kontogeorgis, Georgios M.

    2016-01-01

    a combining rule or using an experimental value for the cross association energy). Initially, new binary interaction parameters were estimated for (CO2 + glycol) binary mixtures. Having the binary parameters from the binary systems, the model was applied in a predictive way (i.e. no parameters were adjusted...... to data on ternary and multicomponent mixtures) to model the phase behaviour of ternary and quaternary systems with CO2 and glycols. It is concluded that CPA performs satisfactorily for most multicomponent systems considered. Some differences between the various modelling approaches are observed......, 2014, 2015, 2015), which is based on an investigation of about 30 multicomponent systems containing acid gases, water, alcohols, glycols and hydrocarbons, reveals that assuming cross association (solvation) of CO2 with glycols, alcohols and water or alternatively considering CO2 to be a self...

  9. Damage buildup and edge dislocation mobility in equiatomic multicomponent alloys

    Energy Technology Data Exchange (ETDEWEB)

    Granberg, F., E-mail: fredric.granberg@helsinki.fi [Department of Physics, P.O. Box 43, FIN-00014 University of Helsinki (Finland); Djurabekova, F. [Department of Physics, P.O. Box 43, FIN-00014 University of Helsinki (Finland); Helsinki Institute of Physics, P.O. Box 43, FIN-00014 University of Helsinki (Finland); Levo, E.; Nordlund, K. [Department of Physics, P.O. Box 43, FIN-00014 University of Helsinki (Finland)

    2017-02-15

    Highlights: • We studied the damage buildup in equiatomic multicomponent alloys by MD simulations. • Edge dislocation mobility was lower in the studied alloys compared to elemental Ni. • Damage buildup in alloys saturated at lower levels than in elemental Ni. • Initial damage buildup is faster in alloys compared to elemental Ni. - Abstract: A new class of single phase metal alloys of equal atomic concentrations has shown very promising mechanical properties and good corrosion resistance. Moreover, a significant reduction in damage accumulation during prolonged irradiation has also been observed in these equiatomic multicomponent alloys. A comparison of elemental Ni with the two component NiFe- and the three component NiCoCr-alloy showed a substantial reduction in damage in both alloys, and an even larger difference was seen if only larger clusters were considered. One of the factors limiting the damage build-up in the alloys compared to the elemental material was seen to be dislocation mobility (Granberg et al., 2016). In this Article, we focus on a more thorough investigation of the mobility of edge dislocations in different cases of the Ni-, NiFe- and NiCoCr-samples. We find that even though the saturated amount of defects in the alloys is lower than in elemental Ni, the defect buildup in the early stages is faster in the alloys. We also find that the dislocation mobility in NiFe is lower than in Ni, at low stresses, and that the onset stress in NiFe is higher than in Ni. The same phenomenon was seen in comparison between NiFe and NiCoCr, since the three component alloy had lower dislocation mobility and higher onset stress. The dislocation velocity in elemental Ni plateaued out just under the forbidden velocity, whereas the alloys showed a more complex behaviour.

  10. Dynamics of multicomponent vesicles in a viscous fluid

    Science.gov (United States)

    Sohn, Jin Sun; Tseng, Yu-Hau; Li, Shuwang; Voigt, Axel; Lowengrub, John S.

    2010-01-01

    We develop and investigate numerically a thermodynamically consistent model of two-dimensional multicomponent vesicles in an incompressible viscous fluid. The model is derived using an energy variation approach that accounts for different lipid surface phases, the excess energy (line energy) associated with surface phase domain boundaries, bending energy, spontaneous curvature, local inextensibility and fluid flow via the Stokes equations. The equations are high-order (fourth order) nonlinear and nonlocal due to incompressibil-ity of the fluid and the local inextensibility of the vesicle membrane. To solve the equations numerically, we develop a nonstiff, pseudo-spectral boundary integral method that relies on an analysis of the equations at small scales. The algorithm is closely related to that developed very recently by Veerapaneni et al. [81] for homogeneous vesicles although we use a different and more efficient time stepping algorithm and a reformulation of the inextensibility equation. We present simulations of multicomponent vesicles in an initially quiescent fluid and investigate the effect of varying the average surface concentration of an initially unstable mixture of lipid phases. The phases then redistribute and alter the morphology of the vesicle and its dynamics. When an applied shear is introduced, an initially elliptical vesicle tank-treads and attains a steady shape and surface phase distribution. A sufficiently elongated vesicle tumbles and the presence of different surface phases with different bending stiffnesses and spontaneous curvatures yields a complex evolution of the vesicle morphology as the vesicle bends in regions where the bending stiffness and spontaneous curvature are small. PMID:20808718

  11. Silicide formation by furnace annealing of thin Si films on large-grained Ni substrates

    Science.gov (United States)

    Brunner, A. J.; Ma, E.; Nicolet, M.-A.

    1989-03-01

    Si films with a thickness of approximately 250 nm have been electron-beam evaporated on thick, large-grained Ni substrates (grain size a few mm to 1 cm in diameter). An in situ sputter cleaning procedure has been used to clean the Ni surface before the Si deposition. Thermal annealings have been performed in a vacuum furnace. Ni2Si is the first phase that grows at temperatures between 240 °C and 300 °C as a laterally uniform interfacial layer with a diffusion-controlled kinetics. The layer thickness x follows the growth law x 2= kt, with k=k 0 exp(- E a k B T), where k 0=6.3 × 10-4cm 2/s and E a=(1-1±0.1) eV. Because of the virtually infinite supply of Ni, annealing at 800 °C for 130min yields a Ni-based solid solution as the final phase. The results are compared with those reported in the literature on suicide formation by the reaction of a thin Ni film on Si substrates, as well as with those for interfacial phase formation in Ni/Zr bilayers.

  12. Multi-component anion relay cascade of 1-acetylcyclopropanecarboxamides, aldehydes and acrylonitrile: access to biscyanoethylated furo[3,2-c]pyridinones.

    Science.gov (United States)

    Lin, Shaoxia; Wei, Ying; Liang, Fushun; Zhao, Baozhong; Liu, Yanling; Liu, Pengjun

    2012-06-21

    A highly efficient multi-component anion relay cascade reaction based on 1-acetylcyclopropanecarboxamides, aldehydes and acrylonitrile has been developed, which provides strategically novel and atom-economic access to biologically important biscyanoethylated furo[3,2-c]pyridinones. In this one-pot transformation, up to five bonds (one C-N, one C-O and three C-C bonds) were constructed.

  13. New approaches to the modelling of multi-component fuel droplet heating and evaporation

    KAUST Repository

    Sazhin, Sergei S

    2015-02-25

    The previously suggested quasi-discrete model for heating and evaporation of complex multi-component hydrocarbon fuel droplets is described. The dependence of density, viscosity, heat capacity and thermal conductivity of liquid components on carbon numbers n and temperatures is taken into account. The effects of temperature gradient and quasi-component diffusion inside droplets are taken into account. The analysis is based on the Effective Thermal Conductivity/Effective Diffusivity (ETC/ED) model. This model is applied to the analysis of Diesel and gasoline fuel droplet heating and evaporation. The components with relatively close n are replaced by quasi-components with properties calculated as average properties of the a priori defined groups of actual components. Thus the analysis of the heating and evaporation of droplets consisting of many components is replaced with the analysis of the heating and evaporation of droplets consisting of relatively few quasi-components. It is demonstrated that for Diesel and gasoline fuel droplets the predictions of the model based on five quasi-components are almost indistinguishable from the predictions of the model based on twenty quasi-components for Diesel fuel droplets and are very close to the predictions of the model based on thirteen quasi-components for gasoline fuel droplets. It is recommended that in the cases of both Diesel and gasoline spray combustion modelling, the analysis of droplet heating and evaporation is based on as little as five quasi-components.

  14. NIOBIUM PENTACHLORIDE PROMOTED SYNTHESIS OF TETRAHYDROPIRIDINES BY MULTICOMPONENT REACTION Niobpentachlorid BEWORBEN Synthese von TETRAHYDROPIRIDINES BY Mehrkomponentenreaktion

    OpenAIRE

    Lucas Michelão Martins, Bruno Henrique Sacoman Torquato da Silva, Manoel Lima de Menezes and Luiz Carlos da Silva-Filho

    2013-01-01

    One-pot multicomponent synthesis of tetrahydropyridine derivatives between aniline derivatives, benzaldehyde and two different β-keto ester (methyl and ethyl acetoacetate) using niobium pentachloride as catalyst under mild conditions, providing good yields.

  15. Experimental designs for multicomponent interventions among persons with multifactorial geriatric syndromes.

    Science.gov (United States)

    Allore, Heather G; Tinetti, Mary E; Gill, Thomas M; Peduzzi, Peter N

    2005-01-01

    This paper discusses issues about the design of clinical trials to test multicomponent interventions for multifactorial health conditions, such as geriatric syndromes in which more than one risk factor is related to the outcome. The issues covered include: identification and selection of modifiable risk factors related to the outcome of interest, selection of intervention components to reduce the deleterious effects of the modifiable risk factors, assignment of components of the intervention, blinding, sample size requirements and estimation of component effects. Each of these issues is explored using examples from nine illustrative multicomponent intervention trials. Statistical and clinical concerns regarding the design of multicomponent interventions are addressed. We also propose elements of multicomponent interventions for multifactorial health conditions that should be reported in publications and areas where future research is needed.

  16. Transformation of multi-component ginkgolide into ginkgolide B by Coprinus comatus

    National Research Council Canada - National Science Library

    Ding, HongXue; Zhang, ZhiCai; Cao, ShengNan; Xu, Yin; Yu, JianGuo

    2015-01-01

    .... Therefore, it is urgent to find a new method to prepare GB. In the current study, we studied the ability and mechanism to transform multi-component ginkgolide into GB by Coprinus comatus in order to enhance the GB yield...

  17. Mixed-mode chromatography with zwitterionic phosphopeptidomimetic selectors from Ugi multicomponent reaction

    NARCIS (Netherlands)

    Gargano, Andrea F G; Leek, Tomas; Lindner, Wolfgang; Lämmerhofer, Michael

    2013-01-01

    In the present contribution a novel Ugi multicomponent reaction (MCR) was used to generate zwitterionic chromatographic selectors with capability for application in mixed-mode chromatography featuring complementary selectivities in reversed-phase (RP) and hydrophilic interaction liquid

  18. Inline Measurement of Particle Concentrations in Multicomponent Suspensions using Ultrasonic Sensor and Least Squares Support Vector Machines.

    Science.gov (United States)

    Zhan, Xiaobin; Jiang, Shulan; Yang, Yili; Liang, Jian; Shi, Tielin; Li, Xiwen

    2015-09-18

    This paper proposes an ultrasonic measurement system based on least squares support vector machines (LS-SVM) for inline measurement of particle concentrations in multicomponent suspensions. Firstly, the ultrasonic signals are analyzed and processed, and the optimal feature subset that contributes to the best model performance is selected based on the importance of features. Secondly, the LS-SVM model is tuned, trained and tested with different feature subsets to obtain the optimal model. In addition, a comparison is made between the partial least square (PLS) model and the LS-SVM model. Finally, the optimal LS-SVM model with the optimal feature subset is applied to inline measurement of particle concentrations in the mixing process. The results show that the proposed method is reliable and accurate for inline measuring the particle concentrations in multicomponent suspensions and the measurement accuracy is sufficiently high for industrial application. Furthermore, the proposed method is applicable to the modeling of the nonlinear system dynamically and provides a feasible way to monitor industrial processes.

  19. Amorphous Ni–Zr layer applied for microstructure improvement of Ni-based ohmic contacts to SiC

    Energy Technology Data Exchange (ETDEWEB)

    Wzorek, M., E-mail: mwzorek@ite.waw.pl; Czerwinski, A.; Borysiewicz, M.A.; Gołaszewska, K.; Myśliwiec, M.; Ratajczak, J.; Piotrowska, A.; Kątcki, J.

    2015-09-15

    Highlights: • Thin Ni–Si layers on SiC were studied after annealing. • Different types of microstructural defects occur depending on Ni:Si ratio. • Mechanisms leading to morphology degradation are discussed. • Presented method improves the microstructure of ohmic contacts to SiC. - Abstract: The new approach to fabrication process of nickel-based ohmic contacts to silicon carbide (SiC) is presented. During the first annealing step (300 °C), the amorphous Ni–Zr layer retards diffusion between two nickel silicide layers, thus handling the contradictory requirements for optimal Ni:Si ratio. Different stoichiometry obtained in each silicide layer allows to preserve smooth interface with SiC and simultaneously to avoid relatively easily meltable Si-rich Ni–Si phases during high temperature annealing (1000 °C) and therefore prevents morphology degradation. After annealing at 1000 °C only one final nickel silicide layer is present and Zr atoms are agglomerated at its surface. Morphology of the final silicide layer is substantially improved when compared to typical Ni-based contacts obtained by similar high-temperature annealings. The improved microstructure of the ohmic contact is a promising advantage in terms of SiC devices reliability.

  20. Synthesis, single crystal structure and energy optimization of a multicomponent salt of imidazole and tetrabromoterepthalic acid

    Energy Technology Data Exchange (ETDEWEB)

    Singha, S.; Kumar, S., E-mail: skndey@gmail.com [Department of Physics, Jadavpur University, Kolkata-700032 (India); Dey, S. K., E-mail: skndey@gmail.com [Department of Physics, Jadavpur University, Kolkata-700032 (India); Department of Physics, NITMAS, 24 Paragana(S)-743368 (India)

    2015-06-24

    Single crystal of a multicomponent salt (IMTBTP) of imidazole with tetrabromoterepthalic acid has been synthesized by slow evaporation method at room temperature. The crystal structure of the salt has been determined by single crystal x-ray diffraction technique. The supramolecular structure analysis reveals that the multicomponent salt is formed by noncovalent hydrogen bonding interaction and Br···π interaction. The energy optimization and HOMO-LUMO energy gap calculation have been carried out by Density Functional Theory.

  1. Synthesis, single crystal structure and energy optimization of a multicomponent salt of imidazole and tetrabromoterepthalic acid

    Science.gov (United States)

    Singha, S.; Dey, S. K.; Kumar, S.

    2015-06-01

    Single crystal of a multicomponent salt (IMTBTP) of imidazole with tetrabromoterepthalic acid has been synthesized by slow evaporation method at room temperature. The crystal structure of the salt has been determined by single crystal x-ray diffraction technique. The supramolecular structure analysis reveals that the multicomponent salt is formed by noncovalent hydrogen bonding interaction and Br...π interaction. The energy optimization and HOMO-LUMO energy gap calculation have been carried out by Density Functional Theory.

  2. Mathematical Modeling of Nonstationary Separation Processes in Gas Centrifuge Cascade for Separation of Multicomponent Isotope Mixtures

    Directory of Open Access Journals (Sweden)

    Orlov Alexey

    2016-01-01

    Full Text Available This article presents results of development of the mathematical model of nonstationary separation processes occurring in gas centrifuge cascades for separation of multicomponent isotope mixtures. This model was used for the calculation parameters of gas centrifuge cascade for separation of germanium isotopes. Comparison of obtained values with results of other authors revealed that developed mathematical model is adequate to describe nonstationary separation processes in gas centrifuge cascades for separation of multicomponent isotope mixtures.

  3. Development of 3D Multicomponent Model for Cold Spray Process Using Nitrogen and Air

    OpenAIRE

    Muhammad Faizan Ur Rab; Saden Zahiri; Syed H. Masood; Mahnaz Jahedi; Romesh Nagarajah

    2015-01-01

    Cold spray is a unique coating technology that allows for solid state deposition of particles under atmospheric pressure. In this paper, a three dimensional, Computational Fluid Dynamics (CFD) multicomponent model is developed to estimate cold spray gas conditions involving both nitrogen and air. Calibration of the model followed by validation is accomplished by considering the thermal history of substrate exposed to cold spray supersonic jet. The developed holistic multicomponent model is ef...

  4. Multilevel, Multicomponent Microarchitectures of Vertically-Aligned Carbon Nanotubes for Diverse Applications

    Science.gov (United States)

    2011-01-31

    regard, wehave reportedpreviously thepreparation of multicomponent micropatterns of VA- MWNTs interposed with nanoparticles ,17 nonaligned CNTs,18 or VA...Potential Applications of Multicomponent Magnetic Nanoparticles . Adv. Funct. Mater. 2008, 18, 391–400. 2. Guo, X. F.; Whalley, A.; Klare, J. E.; Huang...Mater. Today 2007, 10, 20–28. 30. Wijnhoven, J. E. G. J.; Vos, W. L. Preparation of Photonic Crystals Made of Air Spheres in Titania . Science 1998, 281

  5. Silicides for VLSI applications

    CERN Document Server

    Murarka, Shyam P

    1983-01-01

    Most of the subject matter of this book has previously been available only in the form of research papers and review articles. I have not attempted to refer to all the published papers. The reader may find it advantageous to refer to the references listed.

  6. Thermodynamic and solidification modeling coupled with experimental investigation of the multicomponent aluminum alloys

    Science.gov (United States)

    Yan, Xinyan

    2001-07-01

    In order to obtain a thermodynamic description for the Al-Cu-Mg-Si quaternary system, three constituent binary systems, Al-Si, Cu-Si and Mg-Si, are first modeled based on the available experimental data, and the thermodynamic models used to describe the phases in the binary systems are presented. The calculated binary phase diagrams and the thermodynamic properties are in good agreement with the experimental data. Three constituent ternary systems, Al-Cu-Si, Al-Mg-Si and Cu-Mg-Si, are then modeled based on experimental data available in the literature. A thermodynamic description of the Al-Cu-Mg-Si system has been developed based on the established descriptions of its constituent binaries and ternaries as well as using data relating to the quaternary intermetallic compound Q-Al5Cu2Mg8Si6. The calculated quaternary phase diagrams, including invariant equilibria, isopleths and isotherms are in accord with the experimental data available in the literature. The phase equilibria and thermodynamic properties of the Al-Cu-Mg-Si system can now be calculated from this thermodynamic description at any temperature and composition. A numerical microscopic model has been developed in the present study for the prediction of the microstructure and microsegregation in multicomponent alloys during dendritic solidification. This microscopic model is directly coupled with multicomponent phase diagram calculations using a user-friendly and robust phase diagram calculation engine-PANENGINE. Solid back diffusion, thermodynamic correction of the interface concentrations, undercooling and dendrite arm coarsening effects are included in this model. The experimentally measured or calculated cooling curves are input into the model to carry out the microsegregation calculations. To validate the microscopic model and the Al-Cu-Mg-Si thermodynamic description, microstructures and microsegregations in a Al-4.5wt%Cu binary alloy, as well as Al-4.5wt%Cu-1wt%Si-0.5wt%Mg and Al-6.27wt%Cu-0.22wt%Si-0

  7. Pilot Study of a Web-Delivered Multicomponent Intervention for Rural Teens with Poorly Controlled Type 1 Diabetes

    Directory of Open Access Journals (Sweden)

    Amy Hughes Lansing

    2016-01-01

    Full Text Available Objective. The purpose of this study was to examine the feasibility and effectiveness of a web-delivered multicomponent behavioral and family-based intervention targeting self-regulation and self-monitoring of blood glucose levels (SMBG and glycemic control (HbA1c in teens with type 1 diabetes (T1DM living in rural US. Methods. 15 teens with poorly controlled T1DM participated in a 25-week web-delivered intervention with two phases, active treatment (weekly treatment sessions and working memory training program and maintenance treatment (fading of treatment sessions. Results. Almost all (13 of 15 participants completed at least 14 of 15 treatment sessions and at least 20 of 25 working memory training sessions. SMBG was increased significantly at end of active and maintenance treatment, and HbA1c was decreased at end of active treatment (p’s ≤ 0.05. Executive functioning improved at end of maintenance treatment: performance on working memory and inhibitory control tasks significantly improved (p’s ≤ 0.02 and parents reported fewer problems with executive functioning (p=0.05. Improvement in inhibitory control was correlated with increases in SMBG and decreases in HbA1c. Conclusions. An innovative web-delivered and multicomponent intervention was feasible for teens with poorly controlled T1DM and their families living in rural US and associated with significant improvements in SMBG and HbA1c.

  8. Nonlinear processing of a multicomponent communication signal by combination-sensitive neurons in the anuran inferior colliculus.

    Science.gov (United States)

    Lee, Norman; Schrode, Katrina M; Bee, Mark A

    2017-09-01

    Diverse animals communicate using multicomponent signals. How a receiver's central nervous system integrates multiple signal components remains largely unknown. We investigated how female green treefrogs (Hyla cinerea) integrate the multiple spectral components present in male advertisement calls. Typical calls have a bimodal spectrum consisting of formant-like low-frequency (~0.9 kHz) and high-frequency (~2.7 kHz) components that are transduced by different sensory organs in the inner ear. In behavioral experiments, only bimodal calls reliably elicited phonotaxis in no-choice tests, and they were selectively chosen over unimodal calls in two-alternative choice tests. Single neurons in the inferior colliculus of awake, passively listening subjects were classified as combination-insensitive units (27.9%) or combination-sensitive units (72.1%) based on patterns of relative responses to the same bimodal and unimodal calls. Combination-insensitive units responded similarly to the bimodal call and one or both unimodal calls. In contrast, combination-sensitive units exhibited both linear responses (i.e., linear summation) and, more commonly, nonlinear responses (e.g., facilitation, compressive summation, or suppression) to the spectral combination in the bimodal call. These results are consistent with the hypothesis that nonlinearities play potentially critical roles in spectral integration and in the neural processing of multicomponent communication signals.

  9. Synthesis and Sintering Behavior of Cordierite Prepared from Multi-Component Materials Including Alkaline-Earth Minerals

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Suk-In; Kim, Nam-Il; Lee, Sang-Jin [Mokpo National University, Muan (Korea, Republic of)

    2016-10-15

    Cordierite was synthesized using multi-component materials based on a talc-alumina-clay system. The cordierite sintered at 1360 °C showed a high relative density of 98.8% and a low thermal expansion coefficient of 1.59×10{sup -}6/°C. To study the effect of adding alkaline-earth minerals on the cordierite properties, petalite, potash-feldspar, and dicalcium phosphate were added to the synthesized cordierite. In the case of 9 wt% petalite or potash-feldspar addition, the cordierite was more densified; however, the thermal expansion coefficient and the pyroplasticity index were increased. In particular, a 5 μm thick self-glazed coating was formed with the addition of 9 wt% potash-feldspar. In the case of adding dicalcium phosphate, a glass phase was formed at low temperature and gas bubbles formed at high temperature above 1320 ℃. The cordierite synthesized using multi-component materials is expected to be employed as a material for high thermal shock, dense-microstructure flameware.

  10. Systematic Review and Meta-Analysis of Multi-Component Interventions Through Schools to Increase Physical Activity.

    Science.gov (United States)

    Russ, Laura B; Webster, Collin A; Beets, Michael W; Phillips, David S

    2015-10-01

    A "whole-of-school" approach is nationally endorsed to increase youth physical activity (PA). Aligned with this approach, comprehensive school physical activity programs (CSPAP) are recommended. Distinct components of a CSPAP include physical education (PE), PA during the school day (PADS), PA before/after school (PABAS), staff wellness (SW), and family/community engagement (FCE). The effectiveness of interventions incorporating multiple CSPAP components is unclear. A systematic review and meta-analysis were conducted examining the effectiveness of multicomponent interventions on youth total daily PA. Electronic databases were searched for published studies that (1) occurred in the US; (2) targeted K-12 (5-18 years old); (3) were interventions; (4) reflected ≥ 2 CSPAP components, with at least 1 targeting school-based PA during school hours; and (5) reported outcomes as daily PA improvements. Standardized mean effects (Hedge's g) from pooled random effects inverse-variance models were estimated. Across 14 studies, 12 included PE, 5 PADS, 1 PABAS, 2 SW, and 14 FCE. No studies included all 5 CSPAP components. Overall, intervention impact was small (0.11, 95% CI 0.03-0.19). As designed, there is limited evidence of the effectiveness of multicomponent interventions to increase youth total daily PA. Increased alignment with CSPAP recommendations may improve intervention effectiveness.

  11. Improving Signal-to-Noise Ratio in Susceptibility Weighted Imaging: A Novel Multicomponent Non-Local Approach.

    Directory of Open Access Journals (Sweden)

    Pasquale Borrelli

    Full Text Available In susceptibility-weighted imaging (SWI, the high resolution required to obtain a proper contrast generation leads to a reduced signal-to-noise ratio (SNR. The application of a denoising filter to produce images with higher SNR and still preserve small structures from excessive blurring is therefore extremely desirable. However, as the distributions of magnitude and phase noise may introduce biases during image restoration, the application of a denoising filter is non-trivial. Taking advantage of the potential multispectral nature of MR images, a multicomponent approach using a Non-Local Means (MNLM denoising filter may perform better than a component-by-component image restoration method. Here we present a new MNLM-based method (Multicomponent-Imaginary-Real-SWI, hereafter MIR-SWI to produce SWI images with high SNR and improved conspicuity. Both qualitative and quantitative comparisons of MIR-SWI with the original SWI scheme and previously proposed SWI restoring pipelines showed that MIR-SWI fared consistently better than the other approaches. Noise removal with MIR-SWI also provided improvement in contrast-to-noise ratio (CNR and vessel conspicuity at higher factors of phase mask multiplications than the one suggested in the literature for SWI vessel imaging. We conclude that a proper handling of noise in the complex MR dataset may lead to improved image quality for SWI data.

  12. Drug-Drug Multicomponent Solid Forms: Cocrystal, Coamorphous and Eutectic of Three Poorly Soluble Antihypertensive Drugs Using Mechanochemical Approach.

    Science.gov (United States)

    Haneef, Jamshed; Chadha, Renu

    2017-08-01

    The present study deals with the application of mechanochemical approach for the preparation of drug-drug multicomponent solid forms of three poorly soluble antihypertensive drugs (telmisartan, irbesartan and hydrochlorothiazide) using atenolol as a coformer. The resultant solid forms comprise of cocrystal (telmisartan-atenolol), coamorphous (irbesartan-atenolol) and eutectic (hydrochlorothiazide-atenolol). The study emphasizes that solid-state transformation of drug molecules into new forms is a result of the change in structural patterns, diminishing of dimers and creating new facile hydrogen bonding network based on structural resemblance. The propensity for heteromeric or homomeric interaction between two different drugs resulted into diverse solid forms (cocrystal/coamorphous/eutectics) and become one of the interesting aspects of this research work. Evaluation of these solid forms revealed an increase in solubility and dissolution leading to better antihypertensive activity in deoxycorticosterone acetate (DOCA) salt-induced animal model. Thus, development of these drug-drug multicomponent solid forms is a promising and viable approach to addressing the issue of poor solubility and could be of considerable interest in dual drug therapy for the treatment of hypertension.

  13. Polyelectrolyte Multicomponent Colloidosomes Loaded with Nisin Z for Enhanced Antimicrobial Activity against Foodborne Resistant Pathogens

    Directory of Open Access Journals (Sweden)

    Taskeen Niaz

    2018-01-01

    Full Text Available Food grade micro- or nano-carrier systems (NCS are being developed to improve the controlled release of antimicrobial agents. To augment the stability of liposomal NCS and to overcome the limitations associated with the use of free bacteriocin (nisin in the food system, multi-component colloidosomes (MCCS were developed by electrostatic interactions between anionic alginate and cationic chitosan (multilayer around phospholipids based liposomes (core. Zeta-sizer results revealed the average diameter of 145 ± 2 nm, 596 ± 3 nm, and 643 ± 5 nm for nano-liposome (NL, chitosomes (chitosan coated NL and MCCS, respectively. Zeta potential values of NCS varied from −4.37 ± 0.16 mV to 33.3 ± 6 mV, thus both chitosomes (CS and MCCS were positively charged. Microstructure analysis by scanning electron microscope (SEM revealed relatively higher size of MCCS with smooth and round morphology. TGA and DSC based experiments revealed that MCCS were thermally more stable than uncoated liposomes. Encapsulation efficiency of nisin in MCCS was observed to be 82.9 ± 4.1%, which was significantly higher than NL (56.5 ± 2.5%. FTIR analyses confirmed the cross-linking between sodium alginate and chitosan layer. Both qualitative (growth kinetics and quantitative (colony forming unit antimicrobial assays revealed that nisin loaded MCCS have superior potential to control resistant foodborne pathogens including Staphylococcus aureus, Listeria monocytogenes, and Enterococcus faecalis, (5.8, 5.4, and 6.1 Log CFUmL−1 reduction, respectively as compared to free nisin, loaded NL or CS. Controlled release kinetics data fitted with Korsmeyer–Peppas model suggested that nisin release from MCCS followed Fickian diffusion. Cytotoxic studies on human blood cells and HepG2 cell lines revealed hemocompatibility and non-toxicity of MCCS. Thus, due to enhanced controlled release, stability and biocompatibility; these multi-component colloidosomes can be useful for

  14. Multicomponent cleaning verification of stainless steel surfaces for the removal of dairy residues using infrared microspectroscopy.

    Science.gov (United States)

    Lang, Matthew P; Kocaoglu-Vurma, Nurdan A; Harper, W James; Rodriguez-Saona, Luis E

    2011-03-01

    The application of infrared microspectroscopy (IRMS) technology, combined with multivariate analysis, was evaluated to develop sensitive and robust methods to assess cleanability of stainless steel surfaces for the removal of dairy food residues. UHT milk samples (skim, 1%, 2%, and whole) were analyzed for total nitrogen (Kjeldahl) and fat (Babcock) contents. The coupons were manually soiled with serially diluted milk samples resulting in soils ranging from 0.1 to 428.1 μg/cm(2) for protein and 0.1 to 374.17 μg/cm(2) for fat, and then autoclaved to simulate a heated equipment surface. Reflectance spectra were collected from stainless steel coupons by using IRMS, and multivariate analysis was used to develop calibration models based on cross-validated partial least squares regression (PLSR). Statistical analysis for the prediction of protein and fat showed a standard error of cross-validation (SECV) of 0.5 and 0.4 μg/cm(2) for prediction of protein and fat, respectively, and correlation coefficients (rVal) > 0.99. To improve the sensitivity, swabbing and concentration steps were used prior to IRMS analysis obtaining SECV of 0.04 and 0.01 μg/cm(2) for the prediction of protein and fat, respectively, and rVal > 0.99. The PLSR models accurately predicted the levels of protein and fat on autoclaved stainless steel coupons soiled with milk. A simple, reliable, and robust protocol based on IRMS and multivariate analysis was developed for multicomponent characterization of stainless steel surfaces that can contribute to more efficient cleaning verification with regard to contamination on surfaces of processing equipment. We report the application of Fourier transform infrared microspectroscopy (FTIR) for the validation of CIP cleaning efficiency that would provide a basis for better understanding of the mechanisms involved in the removal of physical soil and food residues from different types of equipment surfaces commonly utilized in the biotech, pharmaceutical, and

  15. Multi-component solid solution alloys having high mixing entropy

    Science.gov (United States)

    Bei, Hongbin

    2015-10-06

    A multi-component high-entropy alloy includes a composition selected from the following group: VNbTaTiMoWRe, VNbTaTiMoW, VNbTaTiMoRe, VNbTaTiWRe, VNbTaMoWRe, VNbTiMoWRe, VTaTiMoWRe, NbTaTiMoWRe, VNbTaTiMo, VNbTaTiW, VNbTaMoW, VNbTiMoW, VTaTiMoW, NbTaTiMoW, VNbTaTiRe, VNbTaMoRe, VNbTiMoRe, VTaTiMoRe, NbTaTiMoRe, VNbTaWRe, VNbTiWRe, VTaTiWRe, NbTaTiWRe, VNbMoWRe, VTaMoWRe, NbTaMoWRe, VTiMoWRe, NbTiMoWRe, TaTiMoWRe, wherein relative amounts of each element vary by no more than .+-.15 atomic %.

  16. Sputter deposition for multi-component thin films

    Science.gov (United States)

    Krauss, A.R.; Auciello, O.

    1990-05-08

    Ion beam sputter-induced deposition using a single ion beam and a multicomponent target is capable of reproducibly producing thin films of arbitrary composition, including those which are close to stoichiometry. Using a quartz crystal deposition monitor and a computer controlled, well-focused ion beam, this sputter-deposition approach is capable of producing metal oxide superconductors and semiconductors of the superlattice type such as GaAs-AlGaAs as well as layered metal/oxide/semiconductor/superconductor structures. By programming the dwell time for each target according to the known sputtering yield and desired layer thickness for each material, it is possible to deposit composite films from a well-controlled sub-monolayer up to thicknesses determined only by the available deposition time. In one embodiment, an ion beam is sequentially directed via a set of X-Y electrostatic deflection plates onto three or more different element or compound targets which are constituents of the desired film. In another embodiment, the ion beam is directed through an aperture in the deposition plate and is displaced under computer control to provide a high degree of control over the deposited layer. In yet another embodiment, a single fixed ion beam is directed onto a plurality of sputter targets in a sequential manner where the targets are each moved in alignment with the beam under computer control in forming a multilayer thin film. This controlled sputter-deposition approach may also be used with laser and electron beams. 10 figs.

  17. Optical transmission through multicomponent Thue-Morse multilayers

    Science.gov (United States)

    Li, Yuhong; Yang, Xiangbo

    2010-05-01

    In this paper, generalizing Thue-Morse (TM) and three-component Thue-Morse (3CTM) models we propose multicomponent Thue-Morse ( mCTM) sequence and study the optical transmission vertically through the mCTM superlattice. It is found that at the central wavelength, the indices of the propagation matrix elements (PMEs) are all related to the coefficients of Pascal Triangle, and the propagation matrices (PMs) and transmission coefficients (TCs) exhibit interesting pseudo-2 m-cycle and pseudo- m-cycle features, respectively. The optical pseudo-cyclic property can be explained by the cantor-set structure of mCTM and the optical modes of the light. By means of DS method we simplify mCTM sequence and show an optical fractal-like property. As an instance, we show the substitution process of 4CTM. For the pseudo-cyclic optical transmission of mCTM superlattice, there would be potential applications for the designing of some complex optical devices.

  18. A six-step protocol to systematic process evaluation of multicomponent cluster-randomised health promoting interventions illustrated by the Boost study.

    Science.gov (United States)

    Aarestrup, Anne Kristine; Jørgensen, Thea Suldrup; Due, Pernille; Krølner, Rikke

    2014-10-01

    In multicomponent interventions it is important to examine the implementation of each component to enable valid assessments of the effectiveness of each component. Many studies do not systematically document, evaluate and report the level of implementation and there is a lack of systematic approaches to conduct process evaluation studies to guide researchers and evaluators. The aim of this study was to present a systematic approach to plan process evaluation of the implementation of randomised multicomponent interventions. Building on existing process evaluation frameworks and concepts, we developed a six-step protocol: 1. Brainstorm of processes necessary for full implementation and potential barriers and facilitators to implementation; 2. Application of process evaluation concepts to ensure inclusion of important implementation processes; 3. Measurement of proximal outcomes; 4. Identification of relevant data sources; 5. Selection of methods and timing of data collection of process measures; 6. Development of instruments. The protocol was applied to the Boost study, a multicomponent school-based dietary intervention. The protocol was readily applicable for planning process evaluation of environmental and educational intervention components in a school setting. The protocol ensures systematic assessment of the implementation processes that are crucial for interpretation of intervention effects. Current Controlled Trials ISRCTN11666034. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Multicomponent Aqueous Synthesis of Iodo-1,2,3-triazoles: Single-Step Models for Dual Modification of Free Peptide and Radioactive Iodo Labeling.

    Science.gov (United States)

    Li, Lingjun; Ding, Shengqiang; Yang, Yanping; Zhu, Anlian; Fan, Xincui; Cui, Mengchao; Chen, Changpo; Zhang, Guisheng

    2017-01-23

    Iodo-1,2,3-triazoles are of considerable interest for chemical and biomedical applications. However, current synthetic methods for preparing iodo-1,2,3-triazoles cannot easily be applied to the direct modification of bioactive molecules in water. Through the combination of water-compatible oxidative iodination and the copper-catalyzed alkyne-azide cycloaddition reaction, a novel copper-catalyzed aqueous multicomponent synthetic method for the preparation of 5-iodo-1,2,3-triazoles has been developed. The method is highly effective and selective for substrates including biologically relevant compounds with nucleoside, sugar, and amino acid moieties. Based on this aqueous tandem reaction, a direct single-step multicomponent dual modification of peptide is developed from readily available starting materials. Furthermore, the method could also be applied to concise and fast multicomponent radioactive (125) I labeling from an aqueous solution of commercially available sodium (125) iodide as a starting material. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Modal Identification in an Automotive Multi-Component System Using HS 3D-DIC.

    Science.gov (United States)

    Molina-Viedma, Ángel Jesús; López-Alba, Elías; Felipe-Sesé, Luis; Díaz, Francisco A

    2018-02-05

    The modal characterization of automotive lighting systems becomes difficult using sensors due to the light weight of the elements which compose the component as well as the intricate access to allocate them. In experimental modal analysis, high speed 3D digital image correlation (HS 3D-DIC) is attracting the attention since it provides full-field contactless measurements of 3D displacements as main advantage over other techniques. Different methodologies have been published that perform modal identification, i.e., natural frequencies, damping ratios, and mode shapes using the full-field information. In this work, experimental modal analysis has been performed in a multi-component automotive lighting system using HS 3D-DIC. Base motion excitation was applied to simulate operating conditions. A recently validated methodology has been employed for modal identification using transmissibility functions, i.e., the transfer functions from base motion tests. Results make it possible to identify local and global behavior of the different elements of injected polymeric and metallic materials.

  1. Validation of a numerical method for interface-resolving simulation of multicomponent gas-liquid mass transfer and evaluation of multicomponent diffusion models

    Science.gov (United States)

    Woo, Mino; Wörner, Martin; Tischer, Steffen; Deutschmann, Olaf

    2017-09-01

    The multicomponent model and the effective diffusivity model are well established diffusion models for numerical simulation of single-phase flows consisting of several components but are seldom used for two-phase flows so far. In this paper, a specific numerical model for interfacial mass transfer by means of a continuous single-field concentration formulation is combined with the multicomponent model and effective diffusivity model and is validated for multicomponent mass transfer. For this purpose, several test cases for one-dimensional physical or reactive mass transfer of ternary mixtures are considered. The numerical results are compared with analytical or numerical solutions of the Maxell-Stefan equations and/or experimental data. The composition-dependent elements of the diffusivity matrix of the multicomponent and effective diffusivity model are found to substantially differ for non-dilute conditions. The species mole fraction or concentration profiles computed with both diffusion models are, however, for all test cases very similar and in good agreement with the analytical/numerical solutions or measurements. For practical computations, the effective diffusivity model is recommended due to its simplicity and lower computational costs.

  2. Towards a new method for modeling multicomponent, multiphase flow and transport in porous media

    Science.gov (United States)

    Kong, X. Z.; Schaedle, P.; Leal, A. M. M.; Saar, M. O.

    2016-12-01

    The ability to computationally simulate multiphase-multicomponent fluid flow, coupled with geochemical reactions between fluid species and rock minerals, in porous and/or fractured subsurface systems is of major importance to a vast number of applications. These include (1) carbon dioxide storage in geologic formations, (2) geothermal energy extraction, (3) combinations of the latter two applications during CO2-Plume Geothermal energy extraction, (4) waste fluid and waste storage, as well as (5) groundwater and contaminant transport. Modeling these systems with such a wide variety of coupled physical and chemical processes is both challenging and computationally expensive. In this work we present a new approach to develop a simulator for multicomponent-multiphase flow and reactive transport in porous media by using state of the art numerical tools, namely FEniCS (fenicsproject.org) and Reaktoro (reaktoro.org). The governing partial differential equations for fluid flow and transport are solved using FEniCS, which enables fast and efficient implementation of computer codes for the simulation of complex physical phenomena using finite element methods on unstructured meshes. FEniCS supports a wide range of finite element schemes of special interest to porous media flow. In addition, FEniCS interfaces with many sparse linear solvers and provides convenient tools for adaptive mesh refinement and the capability of massively parallel calculations. A fundamental component of our contribution is the coupling of our FEniCS based flow and transport solver with our chemical reaction simulator, Reaktoro, which implements efficient, robust, and accurate methods for chemical equilibrium and kinetics calculations at every node of the mesh, at every time step. These numerical methods for reaction modeling have been especially developed for performance-critical applications such as reactive transport modeling. Furthermore, Reaktoro is also used for the calculation of thermodynamic

  3. Efficient Discovery of Novel Multicomponent Mixtures for Hydrogen Storage: A Combined Computational/Experimental Approach

    Energy Technology Data Exchange (ETDEWEB)

    Wolverton, Christopher [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Ozolins, Vidvuds [Univ. of California, Los Angeles, CA (United States). Dept. of Materials Science and Engineering; Kung, Harold H. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemical and Biological Engineering; Yang, Jun [Ford Scientific Research Lab., Dearborn, MI (United States); Hwang, Sonjong [California Inst. of Technology (CalTech), Pasadena, CA (United States). Dept. of Chemistry and Chemical Engineering; Shore, Sheldon [The Ohio State Univ., Columbus, OH (United States). Dept. of Chemistry and Biochemistry

    2016-11-28

    The objective of the proposed program is to discover novel mixed hydrides for hydrogen storage, which enable the DOE 2010 system-level goals. Our goal is to find a material that desorbs 8.5 wt.% H2 or more at temperatures below 85°C. The research program will combine first-principles calculations of reaction thermodynamics and kinetics with material and catalyst synthesis, testing, and characterization. We will combine materials from distinct categories (e.g., chemical and complex hydrides) to form novel multicomponent reactions. Systems to be studied include mixtures of complex hydrides and chemical hydrides [e.g. LiNH2+NH3BH3] and nitrogen-hydrogen based borohydrides [e.g. Al(BH4)3(NH3)3]. The 2010 and 2015 FreedomCAR/DOE targets for hydrogen storage systems are very challenging, and cannot be met with existing materials. The vast majority of the work to date has delineated materials into various classes, e.g., complex and metal hydrides, chemical hydrides, and sorbents. However, very recent studies indicate that mixtures of storage materials, particularly mixtures between various classes, hold promise to achieve technological attributes that materials within an individual class cannot reach. Our project involves a systematic, rational approach to designing novel multicomponent mixtures of materials with fast hydrogenation/dehydrogenation kinetics and favorable thermodynamics using a combination of state-of-the-art scientific computing and experimentation. We will use the accurate predictive power of first-principles modeling to understand the thermodynamic and microscopic kinetic processes involved in hydrogen release and uptake and to design new material/catalyst systems with improved properties. Detailed characterization and atomic-scale catalysis experiments will elucidate the effect of dopants and nanoscale catalysts in achieving fast kinetics and reversibility. And

  4. Elementary reaction models and correlations for burning velocities of multicomponent organic fuel mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Cho, S.; Niksa, S. [Stanford Univ., CA (United States). High Temperature Gasdynamics Lab.

    1995-06-01

    This computational study uses elementary reaction mechanisms to interpret the trends in a database of burning velocities for multicomponent organic fuel mixtures derived from coal. These mixtures contain CO, H{sub 2}, CH{sub 4}, C{sub 2}H{sub 2}, oils, and, in some cases, appreciable amounts of C{sub 2}H{sub 4}, C{sub 2}H{sub 6}, C{sub 3}H{sub 6} and C{sub 3}H{sub 8}. The database represents fuel equivalent ratios from 0.5 to 1.5, two unburned gas temperatures, and two diluent: O{sub 2} ratios. Predicted burning velocities are based on a one-dimensional laminar flame code with the Miller-Bowman mechanism without nitrogen conversion chemistry or oxidative pyrolysis of any higher hydrocarbons. The initial amounts of oils and higher hydrocarbons are expressed as additional amounts of C{sub 2}H{sub 4} and C{sub 2}H{sub 6} and reduced levels of H{sub 2}. Burning velocities of multicomponent fuel mixtures at high temperatures can be interpreted with only oxyhydrogen and C{sub 1}/C{sub 2} chemistry without any fuel decomposition steps for the higher hydrocarbons. This approach rationalizes the trends due to higher extents of secondary volatiles pyrolysis, which means increasing CO and H{sub 2} levels and diminishing hydrocarbon levels in the fuel mixtures. It also rationalizes the variations with coals of higher rank, which means diminishing CO levels and H{sub 2} and hydrocarbon levels that pass through maxima. Predictions from the elementary reaction mechanism are quantitatively accurate for nearly all lean mixtures, but discrepancies are substantial for rich mixtures, especially those with abundant CO and H{sub 2}. Systematic overpredictions for rich mixtures are probably due to defects in steps for the attack of C{sub 1} or C{sub 2} species by O{sub 2} or H atoms.

  5. Development of 3D Multicomponent Model for Cold Spray Process Using Nitrogen and Air

    Directory of Open Access Journals (Sweden)

    Muhammad Faizan Ur Rab

    2015-10-01

    Full Text Available Cold spray is a unique coating technology that allows for solid state deposition of particles under atmospheric pressure. In this paper, a three dimensional, Computational Fluid Dynamics (CFD multicomponent model is developed to estimate cold spray gas conditions involving both nitrogen and air. Calibration of the model followed by validation is accomplished by considering the thermal history of substrate exposed to cold spray supersonic jet. The developed holistic multicomponent model is effective in determining the state of gas and particles from injection point to the substrate surface with the advantage of optimizing very rapid cold spray deposition in nanoseconds. The validation of k-ε type CFD multicomponent model is done by using the temperature measured for a titanium substrate exposed to cold spray nitrogen at 800 °C and 3 MPa. Heat transfer and radiation are considered for the de Laval nozzle used in cold spray experiments. The calibrated multicomponent model has successfully estimated the state of propellant gas for the chosen high pressure and high temperature cold spray conditions. Moreover, the multicomponent model predictions are in good agreement with a previous holistic three dimensional cold spray model in which only nitrogen was used as the surrounding as well as the propellant gas.

  6. Formation and degradation of multicomponent multicore micelles: insights from dissipative particle dynamics simulations.

    Science.gov (United States)

    Chen, Houyang; Ruckenstein, Eli

    2013-05-07

    Dissipative particle dynamics (DPD) simulation is employed to examine (i) the multicomponent multicore micelle (MMM) formation from two kinds of star-shaped copolymers: A2B4B4 and C2B4B4 where A, B, and C are the segments of the copolymers and (ii) the degradation of multicomponent multicore micelles. Regarding the micelle formation, single-core micelles with the core composed of two components (SCII), multicomponent multicore micelles with each core composed of two components (MMII), multicomponent multicore micelles with each of the cores composed of one component (MMI), and multicomponent multicore rod micelles (MMRI) are considered. By changing the ratio between the number of segments of one of the polymers and the total number of segments of the two copolymers, the number of cores generated and their composition can be controlled. Considering that only C2B4B4 is degraded to 2C1 + 2B4, it was found that SCII, MMII, and MMI micelles degraded to a single irregular network core, to multicores with cores formed of loose aggregates, and to multicore micelles, respectively. The dynamics of micelle formation has several stages (small aggregates (nuclei) → growth of aggregates → micellization) whereas the dynamics of degradation involves the diffusion of the degraded components inside and outside micelles and the rearrangement of the cores of the micelles into new cores.

  7. Investigation of multiphase multicomponent aerosol flow dictating pMDI-spacer interactions.

    Science.gov (United States)

    Sarkar, Saurabh; Peri, S Prasad; Chaudhuri, Bodhisattwa

    2017-08-30

    The use of Pressurized metered dose inhalers (pMDIs) for the treatment of asthma and other chronic obstructive pulmonary diseases is frequently associated with breath-actuation synchronization problems and poor pulmonary delivery, particularly amongst the pediatric and geriatric population groups. Spacers, or Valved Holding Chambers (VHCs), are frequently used to address these problems. However, the performance of spacers with different pMDIs is also highly variable and needs to be investigated. The purpose of the current study is to develop a computational fluid dynamics (CFD) model which can characterize multiphase multicomponent aerosol flow issuing from a commercial suspension-based pMDI into a spacer. The CFD model was initially calibrated against published experimental measurements in order to appropriately model the spray characteristics. This model was subsequently used to examine several combinations of inhaler, spacer and USP Throat geometries under different discharge rates of coflow air. The CFD model predictions compared favorably with experimental measurements. In particular, the predictions show, in accordance with experimental determinations, a decrease of drug retained by the spacers with increasing coflow air. The recirculation observed near the obstructions in axial path of the spray within either spacer is considered to be central for increasing spray retention and drug deposition behavior. Fluid flow patterns within the spacers were correlated with drug deposition behavior through a dimensionless variable, the Recirculation index (RCI). Bigger particles were found to be selectively retained within the spacer. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Multicomponent treatment for food selectivity in children: description and case report.

    Science.gov (United States)

    Suarez, Michelle Ann

    2015-06-01

    Food selectivity is common in children with and without developmental disabilities and can have negative implications for nutrition intake and family quality of life. The evidence base for effective treatment protocols is still developing. The purpose of this study was to describe a pilot, multicomponent treatment protocol for food selectivity and present several case examples using a retrospective chart review. Elements in the treatment manual included sensory integration and behavioral modification strategies, including systematic desensitization. Also, parents were educated on factors associated with food selectivity and strategies for increasing food acceptance during family meals. Four children with food selectivity demonstrated increased food acceptance of previously refused foods. Incidence of negative behaviors, including gagging, vomiting, and aggressive behavior (eg, hitting, batting away spoon), during clinical meals was also evaluated. No aggressive behavior or vomiting was observed during treatment sessions, and gagging on foods at initial introduction was minimal. This descriptive study and case review provides information to inform treatment of food selectivity and may provide a catalyst for larger scale clinical trials. © 2014 American Society for Parenteral and Enteral Nutrition.

  9. Experimental Studies and Modeling of the Drying Kinetics of Multicomponent Polymer Films.

    Science.gov (United States)

    Velaga, Sitaram P; Nikjoo, Dariush; Vuddanda, Parameswara R

    2018-01-01

    The process of drying thin polymer films is an important operation that influences the film structure and solid state, and the stability of the product. The purpose of this work was to study and model the drying kinetics of multicomponent films based on two polymers: hydroxypropyl methylcellulose (HPMC, amorphous) and polyvinyl alcohol (PVA, semicrystalline). The isothermal drying kinetics of the films at different temperatures (40, 60, and 80°C) were studied using thermo-gravimetric analysis (TGA) and convection oven methods. Solid-state characterization tools used in the study included polarization and hot-stage microscopy, scanning electron microscopy (SEM), and differential scanning calorimetry (DSC). The drying kinetics of HPMC and PVA films in the TGA apparatus and convection oven were comparable. The three-parameter (W max, τ, n) Hill equation successfully modeled the experimental drying kinetics. The time factor τ in the Hill equation nicely explained two drying phases in the films. Solid-state phase changes occurring in the films during dehydration had a bearing on the drying kinetics and mechanisms. TGA can be used as a simple tool to determine the end points in drying processes using ovens or tunnels. The three-parameter Hill equation explained the drying kinetics and diffusion mechanisms of the solvent through the polymer films for the first time. This study advances our understanding of film drying, in particular for pharmaceutically relevant thin films.

  10. Metabolic routes along digestive system of licorice: multicomponent sequential metabolism method in rat.

    Science.gov (United States)

    Zhang, Lei; Zhao, Haiyu; Liu, Yang; Dong, Honghuan; Lv, Beiran; Fang, Min; Zhao, Huihui

    2016-06-01

    This study was conducted to establish the multicomponent sequential metabolism (MSM) method based on comparative analysis along the digestive system following oral administration of licorice (Glycyrrhiza uralensis Fisch., leguminosae), a traditional Chinese medicine widely used for harmonizing other ingredients in a formulae. The licorice water extract (LWE) dissolved in Krebs-Ringer buffer solution (1 g/mL) was used to carry out the experiments and the comparative analysis was performed using HPLC and LC-MS/MS methods. In vitro incubation, in situ closed-loop and in vivo blood sampling were used to measure the LWE metabolic profile along the digestive system. The incubation experiment showed that the LWE was basically stable in digestive juice. A comparative analysis presented the metabolic profile of each prototype and its corresponding metabolites then. Liver was the major metabolic organ for LWE, and the metabolism by the intestinal flora and gut wall was also an important part of the process. The MSM method was practical and could be a potential method to describe the metabolic routes of multiple components before absorption into the systemic blood stream. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  11. New Wang-Landau approach to obtain phase diagrams for multicomponent alloys

    Science.gov (United States)

    Takeuchi, Kazuhito; Tanaka, Ryohei; Yuge, Koretaka

    2017-10-01

    We develop an approach to apply the Wang-Landau algorithm to multicomponent alloys in a semi-grand-canonical ensemble. Although the Wang-Landau algorithm has great advantages over conventional sampling methods, there are few applications to alloys. This is because calculating compositions in a semi-grand-canonical ensemble via the Wang-Landau algorithm requires a multidimensional density of states in terms of total energy and compositions, and constructing it is difficult from the viewpoints of both implementation and computational cost. In this study, we develop a simple approach to calculate the alloy phase diagram based on the Wang-Landau algorithm, and show that a number of one-dimensional densities of states could lead to compositions in a semi-grand-canonical ensemble as a multidimensional density of states could. Finally, we apply the present method to Cu-Au and Pd-Rh alloys and confirm that the present method successfully describes the phase diagram with high efficiency, validity, and accuracy.

  12. Predicting Short-Range Order in Multicomponent Alloys from an Improved Mean-Field Theory

    Science.gov (United States)

    Ong, Zhun-Yong; Johnson, Duane

    2007-03-01

    In alloys the atomic short-range order (SRO) indicates the nascent ordering to which the disordered alloy is tending at high temperatures. Direct first-principles prediction based upon KKR-CPA and mean-field thermodynamics have been successful in predicting system-specific SRO [1], if, at a minimum, corrections are included to satisfy the diffuse scattering sum rule in k-space. However, such models do not account for k-dependence of the corrections. Here, we present an analytic generalization to multicomponent alloys that includes ``cyclic diagrams'' [2,3] for composition, temperature, and k-dependent corrections to SRO. We first explore the improvement to SRO in model fcc ternary alloys via the generalized Ising model. We find that there is much better agreement to Monte Carlo simulations than with standard Bragg-Williams with(out) Onsager corrections. Then we implement this within the KKR-CPA linear-response theory of SRO.Work was supported by DOE (Award DEFG02-03ER46026 and NSF (DMR-0325939). [1] J.B. Staunton, D.D. Johnson, and F.J. Pinski, Phys. Rev. Lett. 65, 1259 (1990); Phys. Rev. B 50, 1450 (1994); ibid, 57, 15177 (1998). [2] R. Brout, Phys. Rev. 115, 824-835 (1959). [3] R.V. Chepulski, et al, Phys. Rev. 65, 064201-7 (2002).

  13. Magnetoresistance and electrical properties of multi-component copper chalcogenides at pressures up to 50 GPa

    Science.gov (United States)

    Melnikova, Nina; Tebenkov, Alexander; Babushkin, Alexey; Kurochka, Kirill; Phase Transitions Team; Transport Properties Team; Novel Materials Team

    2013-06-01

    Multi-component chalcogenides based on layered semiconductors A3B6 (such as InS, InSe, GaS, GaSe, etc) are new objects of study, they have interesting physical properties and undergo temperature and baric phase transitions. This paper presents the results of a study of the electrical properties and magnetoresistance of CuInS2, CuInSe2, CuInAsS3, CuInAsSe3, CuInSbS3 at pressures up to 50 GPa. High pressures have been generated in the cell with synthetic carbonado-type diamond anvils that can be used as electric contacts. Electric properties at high pressure have been investigated on dc current and by means of impedance spectroscopy. Magnetoresistance has been measured in transverse magnetic field. The pressure ranges of noticeable changes in a behavior of magnetoresistance, of impedance and admittance, tangent of loss angle, relaxation time upon a pressure increase and a pressure decrease are established. This behavior of physical parameters can be due to structural transitions and due to a change of electron structure. This work was supported in part by the Russian Foundation for Basic Research, project no. 13-02-00633.

  14. HYDROGEOCHEM: A coupled model of HYDROlogic transport and GEOCHEMical equilibria in reactive multicomponent systems

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, G.T.; Tripathi, V.S.

    1990-11-01

    This report presents the development of a hydrogeochemical transport model for multicomponent systems. The model is designed for applications to proper hydrological setting, accommodation of complete suite of geochemical equilibrium processes, easy extension to deal with chemical kinetics, and least constraints of computer resources. The hydrological environment to which the model can be applied is the heterogeneous, anisotropic, saturated-unsaturated subsurface media under either transient or steady state flow conditions. The geochemical equilibrium processes included in the model are aqueous complexation, adsorption-desorption, ion exchange, precipitation-dissolution, redox, and acid-base reactions. To achieve the inclusion of the full complement of these geochemical processes, total analytical concentrations of all chemical components are chosen as the primary dependent variables in the hydrological transport equations. Attendant benefits of this choice are to make the extension of the model to deal with kinetics of adsorption-desorption, ion exchange, precipitation-dissolution, and redox relatively easy. To make the negative concentrations during the iteration between the hydrological transport and geochemical equilibrium least likely, an implicit form of transport equations are proposed. To alleviate severe constraints of computer resources in terms of central processing unit (CPU) time and CPU memory, various optional numerical schemes are incorporated in the model. The model consists of a hydrological transport module and geochemical equilibrium module. Both modules were thoroughly tested in code consistency and were found to yield plausible results. The model is verified with ten examples. 79 refs., 21 figs., 17 tabs.

  15. Predicting Chiral Nanostructures, Lattices and Superlattices in Complex Multicomponent Nanoparticle Self-Assembly

    KAUST Repository

    Hur, Kahyun

    2012-06-13

    "Bottom up" type nanoparticle (NP) self-assembly is expected to provide facile routes to nanostructured materials for various, for example, energy related, applications. Despite progress in simulations and theories, structure prediction of self-assembled materials beyond simple model systems remains challenging. Here we utilize a field theory approach for predicting nanostructure of complex and multicomponent hybrid systems with multiple types of short- and long-range interactions. We propose design criteria for controlling a range of NP based nanomaterial structures. In good agreement with recent experiments, the theory predicts that ABC triblock terpolymer directed assemblies with ligand-stabilized NPs can lead to chiral NP network structures. Furthermore, we predict that long-range Coulomb interactions between NPs leading to simple NP lattices, when applied to NP/block copolymer (BCP) assemblies, induce NP superlattice formation within the phase separated BCP nanostructure, a strategy not yet realized experimentally. We expect such superlattices to be of increasing interest to communities involved in research on, for example, energy generation and storage, metamaterials, as well as microelectronics and information storage. © 2012 American Chemical Society.

  16. Phosphopeptidomimetic substance libraries from multicomponent reaction: enantioseparation on quinidine carbamate stationary phase.

    Science.gov (United States)

    Gargano, Andrea F G; Lindner, Wolfgang; Lämmerhofer, Michael

    2013-10-04

    In the present contribution we report a HPLC enantioseparation method for a library of amido-aminophosphonate structures generated by a novel Ugi-multicomponent reaction. The enantioseparation of these novel potentially bioactive molecules was achieved by means of HPLC on cinchona-carbamate based chiral anion-exchangers under polar organic elution conditions. The compounds were synthesized with the aim of offering a wide degree of heterogeneity in terms of structural elements to evaluate the influence of various structural motifs on enantioselectivity. The resultant compound library allows to derive structure-enantioselectivity relationships useful for understanding the chiral recognition process. As part of the study mobile phase characteristics such as concentration and type of counterion, mobile phase composition, apparent pH and temperature were investigated with regards to their effect on the separation performances. Employing a single mass spectrometry-compatible mobile phase, 23 compounds out of a pool of 42 racemic amido-aminophosphonate structures reached full baseline separation (Rs>1.5) and 5 were almost baseline separated (1

  17. Numerical Methods for a Multicomponent Two-Phase Interface Model with Geometric Mean Influence Parameters

    KAUST Repository

    Kou, Jisheng

    2015-07-16

    In this paper, we consider an interface model for multicomponent two-phase fluids with geometric mean influence parameters, which is popularly used to model and predict surface tension in practical applications. For this model, there are two major challenges in theoretical analysis and numerical simulation: the first one is that the influence parameter matrix is not positive definite; the second one is the complicated structure of the energy function, which requires us to find out a physically consistent treatment. To overcome these two challenging problems, we reduce the formulation of the energy function by employing a linear transformation and a weighted molar density, and furthermore, we propose a local minimum grand potential energy condition to establish the relation between the weighted molar density and mixture compositions. From this, we prove the existence of the solution under proper conditions and prove the maximum principle of the weighted molar density. For numerical simulation, we propose a modified Newton\\'s method for solving this nonlinear model and analyze its properties; we also analyze a finite element method with a physical-based adaptive mesh-refinement technique. Numerical examples are tested to verify the theoretical results and the efficiency of the proposed methods.

  18. Risk factors for acute, moderate to severe donor reactions associated with multicomponent apheresis collections.

    Science.gov (United States)

    Yuan, Shan; Gornbein, Jeffrey; Smeltzer, Barbara; Ziman, Alyssa F; Lu, Qun; Goldfinger, Dennis

    2008-06-01

    Legitimate concerns exist over the safety of donors during multicomponent apheresis collections (MACs), when large volumes of red blood cells (RBCs) and plasma are removed. This study evaluates the predictive value of various donor- and procedure-related variables for moderate to severe donor acute adverse events (AAEs). Data on all apheresis donation procedures performed at a large university hospital-based donor center over a 2-year period were obtained by a review of adverse event forms and procedure logs (Trima Accel 5.1, Gambro BCT). Various donor- and procedure-related variables were compared between procedures that resulted in moderate to severe AAEs and those that did not. Moderate to severe AAEs occurred in 53 (0.47%) of 11,333 apheresis donation procedures. The majority of events (96.2%) had predominantly features of vasovagal reactions (VVRs). Females were at significantly higher risk (odds ratio [OR] = 2.8, p Donors who experienced AAEs had significantly lower predonation total blood volume (TBV) and hematocrit (Hct) and higher total RBC loss and net fluid loss at the end of the procedures. Total plasma loss alone was not significantly different between the two groups. Total blood loss was significantly higher among donors who experienced AAEs as a percentage of the donor's TBV. Apheresis collections are well tolerated even when multiple components are collected, with a very low overall incidence of moderate to severe AAEs (0.47%). Small, female donors with lower predonation Hct are at higher risk, especially when RBCs are collected.

  19. DSMC multicomponent aerosol dynamics: Sampling algorithms and aerosol processes

    Science.gov (United States)

    Palaniswaamy, Geethpriya

    The post-accident nuclear reactor primary and containment environments can be characterized by high temperatures and pressures, and fission products and nuclear aerosols. These aerosols evolve via natural transport processes as well as under the influence of engineered safety features. These aerosols can be hazardous and may pose risk to the public if released into the environment. Computations of their evolution, movement and distribution involve the study of various processes such as coagulation, deposition, condensation, etc., and are influenced by factors such as particle shape, charge, radioactivity and spatial inhomogeneity. These many factors make the numerical study of nuclear aerosol evolution computationally very complicated. The focus of this research is on the use of the Direct Simulation Monte Carlo (DSMC) technique to elucidate the role of various phenomena that influence the nuclear aerosol evolution. In this research, several aerosol processes such as coagulation, deposition, condensation, and source reinforcement are explored for a multi-component, aerosol dynamics problem in a spatially homogeneous medium. Among the various sampling algorithms explored the Metropolis sampling algorithm was found to be effective and fast. Several test problems and test cases are simulated using the DSMC technique. The DSMC results obtained are verified against the analytical and sectional results for appropriate test problems. Results show that the assumption of a single mean density is not appropriate due to the complicated effect of component densities on the aerosol processes. The methods developed and the insights gained will also be helpful in future research on the challenges associated with the description of fission product and aerosol releases.

  20. Polymer Percolation Threshold in Multi-Component HPMC Matrices Tablets

    Directory of Open Access Journals (Sweden)

    Maryam Maghsoodi

    2011-06-01

    Full Text Available Introduction: The percolation theory studies the critical points or percolation thresholds of the system, where onecomponent of the system undergoes a geometrical phase transition, starting to connect the whole system. The application of this theory to study the release rate of hydrophilic matrices allows toexplain the changes in release kinetics of swellable matrix type system and results in a clear improvement of the design of controlled release dosage forms. Methods: In this study, the percolation theory has been applied to multi-component hydroxypropylmethylcellulose (HPMC hydrophilic matrices. Matrix tablets have been prepared using phenobarbital as drug,magnesium stearate as a lubricant employing different amount of lactose and HPMC K4M as a fillerandmatrix forming material, respectively. Ethylcelullose (EC as a polymeric excipient was also examined. Dissolution studies were carried out using the paddle method. In order to estimate the percolation threshold, the behaviour of the kinetic parameters with respect to the volumetric fraction of HPMC at time zero, was studied. Results: In both HPMC/lactose and HPMC/EC/lactose matrices, from the point of view of the percolation theory, the optimum concentration for HPMC, to obtain a hydrophilic matrix system for the controlled release of phenobarbital is higher than 18.1% (v/v HPMC. Above 18.1% (v/v HPMC, an infinite cluster of HPMC would be formed maintaining integrity of the system and controlling the drug release from the matrices. According to results, EC had no significant influence on the HPMC percolation threshold. Conclusion: This may be related to broad functionality of the swelling hydrophilic matrices.