WorldWideScience

Sample records for water nanodroplets confined

  1. Inhomogeneous dynamics in confined water nanodroplets

    Science.gov (United States)

    Dokter, Adriaan M.; Woutersen, Sander; Bakker, Huib J.

    2006-01-01

    The effect of confinement on the dynamical properties of liquid water was studied by mid-infrared ultrafast pump–probe spectroscopy on HDO:D2O in reverse micelles. By preparing water-containing reverse micelles of different well defined sizes, we varied the degree of geometric confinement in water nanodroplets with radii ranging from 0.2 to 4.5 nm. We find that water molecules located near the interface confining the droplet exhibit slower vibrational energy relaxation and have a different spectral absorption than those located in the droplet core. As a result, we can measure the orientational dynamics of these different types of water with high selectivity. We observe that the water molecules in the core show similar orientational dynamics as bulk water and that the water layer solvating the interface is highly immobile. PMID:17028175

  2. Water nanodroplets confined in zeolite pores.

    Science.gov (United States)

    Coudert, François-Xavier; Cailliez, Fabien; Vuilleumier, Rodolphe; Fuchs, Alain H; Boutin, Anne

    2009-01-01

    We provide a comprehensive depiction of the behaviour of a nanodroplet of approximately equal to 20 water molecules confined in the pores of a series of 3D-connected isostructural zeolites with varying acidity, by means of molecular simulations. Both grand canonical Monte Carlo simulations using classical interatomic forcefields and first-principles Car-Parrinello molecular dynamics were used in order to characterise the behaviour of confined water by computing a range of properties, from thermodynamic quantities to electronic properties such as dipole moment, including structural and dynamical information. From the thermodynamic point of view, we have identified the all-silica zeolite as hydrophobic, and the cationic zeolites as hydrophilic; the condensation transition in the first case was demonstrated to be of first order. Furthermore, in-depth analysis of the dynamical and electronic properties of water showed that water in the hydrophobic zeolite behaves as a nanodroplet trying to close its hydrogen-bond network onto itself, with a few short-lived dangling OH groups, while water in hydrophilic zeolites "opens up" to form weak hydrogen bonds with the zeolite oxygen atoms. Finally, the dipole moment of confined water is studied and the contributions of water self-polarisation and the zeolite electric field are discussed.

  3. Thermophoretic Motion of Water Nanodroplets confined inside Carbon Nanotubes

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Koumoutsakos, Petros

    2009-01-01

    We study the thermophoretic motion of water nanodroplets confined inside carbon nanotubes using molecular dynamics simulations. We find that the nanodroplets move in the direction opposite the imposed thermal gradient with a terminal velocity that is linearly proportional to the gradient....... The translational motion is associated with a solid body rotation of the water nanodroplet coinciding with the helical symmetry of the carbon nanotube. The thermal diffusion displays a weak dependence on the wetting of the water-carbon nanotube interface. We introduce the use of the Moment Scaling Spectrum (MSS......) in order to determine the characteristics of the motion of the nanoparticles inside the carbon nanotube. The MSS indicates that affinity of the nanodroplet with the walls of the carbon nanotubes is important for the isothermal diffusion, and hence for the Soret coefficient of the system....

  4. Universal nanodroplet branches from confining the Ouzo effect

    NARCIS (Netherlands)

    Lu, Ziyang; Schaarsberg, Martin H. Klein; Zhu, Xiaojue; Yeo, Leslie Y.; Lohse, Detlef; Zhang, Xuehua

    2017-01-01

    We report the self-organization of universal branching patterns of oil nanodroplets under the Ouzo effect [Vitale S, Katz J (2003) Langmuir 19:4105–4110]—a phenomenon in which spontaneous droplet formation occurs upon dilution of an organic solution of oil with water. The mixing of the organic and

  5. Fast diffusion of water nanodroplets on graphene

    CERN Document Server

    Ma, Ming; Michaelides, Angelos; Aeppli, Gabriel

    2016-01-01

    Diffusion across surfaces generally involves motion on a vibrating but otherwise stationary substrate. Here, using molecular dynamics, we show that a layered material such as graphene opens up a new mechanism for surface diffusion whereby adsorbates are carried by propagating ripples via a motion similar to surfing. For water nanodroplets, we demonstrate that the mechanism leads to exceedingly fast diffusion that is 2-3 orders of magnitude faster than the self-diffusion of water molecules in liquid water. We also reveal the underlying principles that regulate this new mechanism for diffusion and show how it also applies to adsorbates other than water, thus opening up the prospect of achieving fast and controllable motion of adsorbates across material surfaces more generally.

  6. Molecular dynamics simulations of electrosprayed water nanodroplets: internal potential gradients, location of excess charge centers, and "hopping" protons.

    Science.gov (United States)

    Ahadi, Elias; Konermann, Lars

    2009-05-21

    Water nanodroplets charged with excess protons play a central role during electrospray ionization (ESI). In the current study molecular dynamics (MD) simulations were used for gaining insights into the nanodroplet behavior based on classical mechanics. The SPC/E water model was modified to permit the inclusion of protons as highly mobile point charges at minimum computational cost. A spherical trapping potential was assigned to every SPC/E oxygen, thereby allowing the formation of protonated water molecules. Within a tightly packed nanodroplet the individual potential wells merge to form a three-dimensional energy landscape that facilitates rapid proton hopping between water molecules. This approach requires short-range modifications to the standard Coulomb potential for modeling electrostatic proton-water interactions. Simulations on nanodroplets consisting of 1248 water molecules and 10 protons (radius, ca. 21 A) result in a proton diffusion coefficient that is in agreement with the value measured in bulk solution. Radial proton distributions extracted from 1 ns MD runs exhibit a large peak around 14 A, in addition to substantial population density closer to the droplet center. Similar radial distributions were found for nanodroplets charged with Na+ ions. This behavior is dramatically different from that expected on the basis of continuum electrostatic theory, which predicts that excess charge should be confined to a thin layer on the droplet surface. One important contributor to this effect seems to be the ordering of water molecules at the liquid/vacuum interface. This ordering results in an electrical double layer, generating a potential gradient that tends to pull positive charge carriers (such as protons, but also others such as Na+ ions) toward the droplet interior. This deviation from the widely assumed surface charge paradigm could have implications for the mechanism by which protonated analyte ions are formed during ESI.

  7. Molecular Dynamics Simulation of Water Nanodroplets on Silica Surfaces at High Air Pressures

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Jaffe, Richard Lawrence; Walther, Jens Honore

    2010-01-01

    Silicon dioxides-water systems are abundant in nature and play fundamental roles in a diversity of novel science and engineering applications. Although extensive research has been devoted to study the nature of the interaction between silica and water a complete understanding of the system has...... e.g., nanobubbles. In the present work we study the role of air on the wetting of hydrophilic systems. We conduct molecular dynamics simulations of a water nanodroplet on an amorphous silica surface at different air pressures. The interaction potentials describing the silica, water, and air...... are obtained from the literature. The silica surface is modeled by a large 32 ⨯ 32 ⨯ 2 nm amorphous SiO2 structure consisting of 180000 atoms. The water consists of 18000 water molecules surrounded by N2 and O2 air molecules corresponding to air pressures of 0 bar (vacuum), 50 bar, 100 bar and 200 bar. We...

  8. Femtosecond vibrational dynamics in water nano-droplets

    NARCIS (Netherlands)

    Cringus, Gheorghe Dan

    2008-01-01

    Water is probably the most researched substance on Earth. The interest in water, and redominantly in liquid water, is due to its importance on both macro- and microscopic scales. Although people have been trying to understand water for centuries, this ubiquitous liquid is still surrounded by mystery

  9. Molecular Dynamics Simulations of Water Nanodroplets on Silica Surfaces

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard L.

    2009-01-01

    Wetting is essential and ubiquitous in a variety of natural and technological processes.1,2,3 Silicon dioxides-water systems are abundant in nature and play fundamental roles in a vast variety of novel science and engineering activities such as silicon based devices, nanoscale lab on a chip systems...... and DNA microarrays technologies.4,5,6,7,8 Although extensive experimental, theoretical and computational work has been devoted to study the nature of the interaction between silica and water,2,9-16 at the molecular level a complete understanding of silica-water systems has not been reached. Contact angle...... computations of water droplets on silica surfaces offers a useful fundamental and quantitative measurement in order to study chemical and physical properties of water-silica systems.3,16,17,18 For hydrophobic systems the static and dynamic properties of the fluid-solid interface are influenced by the presence...

  10. In situ imaging of nano-droplet condensation and coalescence on thin water films.

    Science.gov (United States)

    Barkay, Zahava

    2014-04-01

    Two related aspects of nano-droplet condensation and droplets coalescence are studied for droplets on self-supported thin water films. The experiments are conducted in the environmental scanning electron microscope using wet scanning transmission electron microscopy. Favorable condensation sites are examined and in-situ position-controlled condensation experiments are conducted. The interaction among condensed multi-droplets as well as between a single droplet and the underneath nano-thick water film are dynamically examined with 10nm lateral resolution. The droplet round shape is reshaped to flat-like facets in-between droplets of 30-230 nm separation. Dynamic imaging of a few minutes duration shows a delayed coalescence effect, being explained by increased droplet-droplet electrostatic interaction relative to van der Waals interaction.

  11. Effects of water nanodroplets on skin moisture and viscoelasticity during air-conditioning.

    Science.gov (United States)

    Ohno, Hideo; Nishimura, Naoki; Yamada, Kuniyuki; Shimizu, Yuuki; Iwase, Satoshi; Sugenoya, Junichi; Sato, Motohiko

    2013-11-01

    In air-conditioned rooms, dry air exacerbates some skin diseases, for example, senile xerosis, atopic dermatitis, and surface roughness. Humidifiers are used to improve air dryness, which often induces excess humidity and thermal discomfort. To address this issue, we investigated the effects of water nanodroplets (mist) on skin hydration, which may increase skin hydration by penetrating into the interstitial spaces between corneocytes of the stratum corneum (SC) without increasing air humidity. We examined biophysical parameters, including skin conductance and transepidermal water loss (TEWL), and biomechanical parameters of skin distension/retraction before and after suction at the forehead, lateral canthus, and cheek, with or without mist, in a testing environment (24°C, 35% relative humidity) for 120 min. In the group without mist, TEWL values significantly decreased at all the sites after 1 h compared with the initial values. However, in the presence of mist, TEWL values were maintained at the initial values through the test, yielding significant differences vs. the group without mist. There were no significant differences between mist and mist-free groups in terms of skin conductance. Skin distension was significantly increased in the group with mist compared with that in the group without mist at the forehead and cheek, suggesting a softening effect of mist. Skin deformation of the face was improved by mist, suggesting hydration of the SC by mist. The change in TEWL was influenced by mist, suggesting supply of water to the skin, particularly the SC, by mist. These data indicated that a mist of water nanodroplets played an important role in softening skin in an air-conditioned room without increasing excess humidity. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  12. PREFACE: Water in confined geometries

    Science.gov (United States)

    Rovere, Mauro

    2004-11-01

    The study of water confined in complex systems in solid or gel phases and/or in contact with macromolecules is relevant to many important processes ranging from industrial applications such as catalysis and soil chemistry, to biological processes such as protein folding or ionic transport in membranes. Thermodynamics, phase behaviour and the molecular mobility of water have been observed to change upon confinement depending on the properties of the substrate. In particular, polar substrates perturb the hydrogen bond network of water, inducing large changes in the properties upon freezing. Understanding how the connected random hydrogen bond network of bulk water is modified when water is confined in small cavities inside a substrate material is very important for studies of stability and the enzymatic activity of proteins, oil recovery or heterogeneous catalysis, where water-substrate interactions play a fundamental role. The modifications of the short-range order in the liquid depend on the nature of the water-substrate interaction, hydrophilic or hydrophobic, as well as on its spatial range and on the geometry of the substrate. Despite extensive study, both experimentally and by computer simulation, there remain a number of open problems. In the many experimental studies of confined water, those performed on water in Vycor are of particular interest for computer simulation and theoretical studies since Vycor is a porous silica glass characterized by a quite sharp distribution of pore sizes and a strong capability to absorb water. It can be considered as a good candidate for studying the general behaviour of water in hydrophilic nanopores. But there there have been a number of studies of water confined in more complex substrates, where the interpretation of experiments and computer simulation is more difficult, such as in zeolites or in aerogels or in contact with membranes. Of the many problems to consider we can mention the study of supercooled water. It is

  13. Electro-suppression of water nano-droplets' solidification in no man's land: Electromagnetic fields' entropic trapping of supercooled water

    Science.gov (United States)

    Nandi, Prithwish K.; Burnham, Christian J.; English, Niall J.

    2018-01-01

    Understanding water solidification, especially in "No Man's Land" (NML) (150 K ice-crystallite formation is inevitably present electromagnetic fields' role. Here, we employ non-equilibrium molecular dynamics of aggressively quenched supercooled water nano-droplets in the gas phase under NML conditions, in externally applied electromagnetic (e/m) fields, elucidating significant differences between effects of static and oscillating fields: although static fields induce "electro-freezing," e/m fields exhibit the contrary - solidification inhibition. This anti-freeze action extends not only to crystal-ice formation but also restricts amorphisation, i.e., suppression of low-density amorphous ice which forms otherwise in zero-field NML environments. E/m-field applications maintain water in the deeply supercooled state in an "entropic trap," which is ripe for industrial impacts in cryo-freezing, etc.

  14. From the tunneling dimer to the onset of microsolvation: Infrared spectroscopy of allyl radical water aggregates in helium nanodroplets

    Science.gov (United States)

    Leicht, Daniel; Kaufmann, Matin; Pal, Nitish; Schwaab, Gerhard; Havenith, Martina

    2017-03-01

    The infrared spectrum of allyl:water clusters embedded in helium nanodroplets was recorded. Allyl radicals were produced by flash vacuum pyrolysis and trapped in helium droplets. Deuterated water was added to the doped droplets, and the infrared spectrum of the radical water aggregates was recorded in the frequency range 2570-2820 cm-1. Several absorption bands are observed and assigned to 1:1 and 1:2 allyl:D2O clusters, based on pressure dependent measurements and accompanying quantum chemical calculations. The analysis of the 1:1 cluster spectrum revealed a tunneling splitting as well as a combination band. For the 1:2 cluster, we observe a water dimer-like motif that is bound by one π-hydrogen bond to the allyl radical.

  15. Thermophoretic transport of water nanodroplets confined in carbon nanotubes: the role of friction

    DEFF Research Database (Denmark)

    Oyarzua, Elton; Walther, Jens Honore; Zambrano, Harvey

    with the droplet velocity whereas the thermophoretic force has a constant magnitude defined by the magnitude of the thermal gradient and the droplet size. Subsequently, in the terminal regime, the droplet moves at constant velocity due to a dynamic balance between the thermophoretic force and the retarding friction....... The results indicate that the thermophoretic motion of a nanodroplet displays two kinetic regimes: an initial regime characterized by a decreasing acceleration and afterwards a terminal regime with constant velocity. During the initial regime, the magnitude of the friction force increases linearly...

  16. Reorientational dynamics of water confined in zeolites.

    Science.gov (United States)

    Fogarty, Aoife C; Coudert, François-Xavier; Boutin, Anne; Laage, Damien

    2014-02-24

    We present a detailed molecular-dynamics study of water reorientation and hydrogen-bond dynamics in a strong confinement situation, within the narrow pores of an all-silica Linde type A (LTA) zeolite. Two water loadings of the zeolite are compared with the bulk case. Water dynamics are retarded in this extreme hydrophobic confinement and the slowdown is more pronounced at higher water loading. We show that water reorientation proceeds mainly by large-amplitude angular jumps, whose mechanism is similar to that determined in the bulk. The slowdown upon hydrophobic confinement arises predominantly from an excluded-volume effect on the large fraction of water molecules lying at the interface with the zeolite matrix, with an additional minor contribution coming from a structuring effect induced by the confinement. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Simulated solvation of organic ions: protonated methylamines in water nanodroplets. Convergence toward bulk properties and the absolute proton solvation enthalpy.

    Science.gov (United States)

    Houriez, Céline; Meot-Ner Mautner, Michael; Masella, Michel

    2014-06-12

    We applied an alternative, purely theoretical route to estimate thermodynamical properties of organic ions in bulk solution. The method performs a large ensemble of simulations of ions solvated in water nanodroplets of different sizes, using a polarizable molecular dynamics approach. We consider protonated ammonia and methylamines, and K(+) for comparison, solvated in droplets of 50-1000 water molecules. The parameters of the model are assigned from high level quantum computations of small clusters. All the bulk phase results extrapolated from droplet simulations match, and confirm independently, the relative and absolute experiment-based ion solvation energies. Without using experiment-based parameters or assumptions, the results confirm independently the solvation enthalpy of the proton, as -270.3 ± 1.1 kcal mol(-1). The calculated relative solvation enthalpies of these ions are constant from small water clusters, where only the ionic headgroups are solvated, up to bulk solution. This agrees with experimental thermochemistry, that the relative solvation energies of alkylammonium ions by only four H2O molecules reproduce the relative bulk solvation energies, although the small clusters lack major bulk solvation factors. The droplet results also show a slow convergence of ion solvation properties toward their bulk limit, and predict that the stepwise solvation enthalpies of ion/water droplets are very close to those of pure neutral water droplets already after 50 water molecules. Both the ionic and neutral clusters approach the bulk condensation energy very gradually up to 10,000 water molecules, consistent with the macroscopic liquid drop model for pure water droplets. Compared to standard computational methods based on infinite periodic systems, our protocol represents a new purely theoretical approach to investigate the solvation properties of ions. It is applicable to the solvation of organic ions, which are pivotal in environmental, industrial, and

  18. Confined Water: Structure, Dynamics, and Thermodynamics.

    Science.gov (United States)

    Chakraborty, Sudip; Kumar, Hemant; Dasgupta, Chandan; Maiti, Prabal K

    2017-09-19

    Understanding the properties of strongly confined water is important for a variety of applications such as fast flow and desalination devices, voltage generation, flow sensing, and nanofluidics. Confined water also plays an important role in many biological processes such as flow through ion channels. Water in the bulk exhibits many unusual properties that arise primarily from the presence of a network of hydrogen bonds. Strong confinement in structures such as carbon nanotubes (CNTs) substantially modifies the structural, thermodynamic, and dynamic (both translational and orientational) properties of water by changing the structure of the hydrogen bond network. In this Account, we provide an overview of the behavior of water molecules confined inside CNTs and slit pores between graphene and graphene oxide (GO) sheets. Water molecules confined in narrow CNTs are arranged in a single file and exhibit solidlike ordering at room temperature due to strong hydrogen bonding between nearest-neighbor molecules. Although molecules constrained to move along a line are expected to exhibit single-file diffusion in contrast to normal Fickian diffusion, we show, from a combination of molecular dynamics simulations and analytic calculations, that water molecules confined in short and narrow CNTs with open ends exhibit Fickian diffusion because of their collective motion as a single unit due to strong hydrogen bonding. Confinement leads to strong anisotropy in the orientational relaxation of water molecules. The time scale of relaxation of the dipolar correlations of water molecules arranged in a single file becomes ultraslow, of the order of several nanoseconds, compared with the value of 2.5 ps for bulk water. In contrast, the relaxation of the vector that joins the two hydrogens in a water molecule is much faster, with a time scale of about 150 fs, which is about 10 times shorter than the corresponding time scale for bulk water. This is a rare example of confinement leading to

  19. Coalescence-Induced Jumping of Nanodroplets on Textured Surfaces.

    Science.gov (United States)

    Gao, Shan; Liao, Quanwen; Liu, Wei; Liu, Zhichun

    2018-01-04

    Conducting experimental studies on nanoscale droplet coalescence using traditional microscopes is a challenging research topic, and views differ as to whether the spontaneous removal can occur in the coalescing nanodroplets. Here, a molecular dynamics simulation is carried out to investigate the coalescence process of two equally sized nanodroplets. On the basis of atomic coordinates, we compute the liquid bridge radii for various cases, which is described by a power law of spreading time, and these nanodroplets undergo coalescence in the inertially limited-viscous regime. Moreover, coalescence-induced jumping is also possible for the nanodroplets, and the attraction force between surface and water molecules plays a crucial role in this process, where the merged nanodroplets prefer to jump away from those surfaces with lower attraction force. When the solid-liquid interaction intensity and surface structure parameters are varied, the attraction force is shown to decrease with decreasing surface wettability intensity and solid fraction.

  20. Radiolysis of confined water: molecular hydrogen formation

    Energy Technology Data Exchange (ETDEWEB)

    Rotureau, P.; Renault, J.P.; Mialocq, J.C. [CEA/Saclay, DSM/DRECAM/SCM/URA 331 CNRS, 91191 Gif-sur-Yvette Cedex (France); Lebeau, B.; Patarin, J. [Laboratoire de Materiaux a Porosite Controlee, UMR CNRS 7016, ENSCMu-UHA, 3, Rue Alfred Werner, 68093 Mulhouse Cedex (France)

    2005-07-11

    The formation of molecular hydrogen in the radiolysis of water confined in nanoscale pores of well-characterised porous silica glasses and mesoporous molecular sieves (MCM-41) is examined. The comparison of dihydrogen formation by irradiation of both materials, dry and hydrated, shows that a large part of the H{sub 2} comes from the surface of the material. The radiolytic yields, G(H{sub 2})=(3{+-}0.5) x 10{sup -7} mol J{sup -1}, calculated using the total energy deposited in the material and the water, are only slightly affected by the degree of hydration of the material and by the pore size. These yields are also not modified by the presence of hydroxyl radical scavengers. This observation proves that the back reaction between H{sub 2} and HO{sup .} is inoperative in such confined environments. Furthermore, the large amount of H{sub 2} produced in the presence of different concentrated scavengers of the hydrated electron and its precursor suggests that these two species are far from being the only species responsible for the H{sub 2} formation. Our results show that the radiolytic phenomena that occur in water confined in nanoporous silica are dramatically different to those in bulk water, suggesting the need to investigate further the chemical reactivity in this type of environment. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  1. Radiolysis of confined water: molecular hydrogen formation.

    Science.gov (United States)

    Rotureau, P; Renault, J P; Lebeau, B; Patarin, J; Mialocq, J-C

    2005-07-11

    The formation of molecular hydrogen in the radiolysis of water confined in nanoscale pores of well-characterised porous silica glasses and mesoporous molecular sieves (MCM-41) is examined. The comparison of dihydrogen formation by irradiation of both materials, dry and hydrated, shows that a large part of the H2 comes from the surface of the material. The radiolytic yields, G(H2)=(3+/-0.5)x10(-7) mol J(-1), calculated using the total energy deposited in the material and the water, are only slightly affected by the degree of hydration of the material and by the pore size. These yields are also not modified by the presence of hydroxyl radical scavengers. This observation proves that the back reaction between H2 and HO(.) is inoperative in such confined environments. Furthermore, the large amount of H2 produced in the presence of different concentrated scavengers of the hydrated electron and its precursor suggests that these two species are far from being the only species responsible for the H2 formation. Our results show that the radiolytic phenomena that occur in water confined in nanoporous silica are dramatically different to those in bulk water, suggesting the need to investigate further the chemical reactivity in this type of environment.

  2. Going beyond the standard line tension: Size-dependent contact angles of water nanodroplets

    Science.gov (United States)

    Kanduč, Matej

    2017-11-01

    The dependence of the contact angle on the size of a nanoscopic droplet residing on a flat substrate is traditionally ascribed solely to line tension. Other contributions, stemming from the droplet geometry dependence of the surface tension and line tension, are typically ignored. Here, we perform molecular dynamics simulations of water droplets of cylindrical morphology on surfaces of a wide range of polarities. In the cylindrical geometry, where the line tension is not operative directly, we find significant contact angle dependence on the droplet size. The effect is most pronounced on hydrophilic surfaces, with the contact angle increase of up to 1 0 ° with a decreasing droplet size. On hydrophobic surfaces, the trend is reversed and considerably weaker. Our analysis suggests that these effects can be attributed to the Tolman correction due to the curved water-vapor interface and to a generalized line tension that possesses a contact angle dependence. The latter is operative also in the cylindrical geometry and yields a comparable contribution to the contact angle as the line tension itself in case of spherical droplets.

  3. CO2 and C2H2 in cold nanodroplets of oxygenated organic molecules and water

    Science.gov (United States)

    Devlin, J. Paul; Balcı, F. Mine; Maşlakcı, Zafer; Uras-Aytemiz, Nevin

    2014-11-01

    Recent demonstrations of subsecond and microsecond timescales for formation of clathrate hydrate nanocrystals hint at future methods of control of environmental and industrial gases such as CO2 and methane. Combined results from cold-chamber and supersonic-nozzle [A. S. Bhabhe, "Experimental study of condensation and freezing in a supersonic nozzle," Ph.D. thesis (Ohio State University, 2012), Chap. 7] experiments indicate extremely rapid encagement of components of all-vapor pre-mixtures. The extreme rates are derived from (a) the all-vapor premixing of the gas-hydrate components and (b) catalytic activity of certain oxygenated organic large-cage guests. Premixing presents no obvious barrier to large-scale conditions of formation. Further, from sequential efforts of the groups of Trout and Buch, a credible defect-based model of the catalysis mechanism exists for guidance. Since the catalyst-generated defects are both mobile and abundant, it is often unnecessary for a high percentage of the cages to be occupied by a molecular catalyst. Droplets represent the liquid phase that bridges the premixed vapor and clathrate hydrate phases but few data exist for the droplets themselves. Here we describe a focused computational and FTIR spectroscopic effort to characterize the aerosol droplets of the all-vapor cold-chamber methodology. Computational data for CO2 and C2H2, hetero-dimerized with each of the organic catalysts and water, closely match spectroscopic redshift patterns in both magnitude and direction. Though vibrational frequency shifts are an order of magnitude greater for the acetylene stretch mode, both CO2 and C2H2 experience redshift values that increase from that for an 80% water-methanol solvent through the solvent series to approximately doubled values for tetrahydrofuran and trimethylene oxide (TMO) droplets. The TMO solvent properties extend to a 50 mol.% solution of CO2, more than an order of magnitude greater than for the water-methanol solvent mixture

  4. Is ion channel selectivity mediated by confined water?

    CERN Document Server

    Prada-Gracia, Diego

    2012-01-01

    Ion channels form pores across the lipid bilayer, selectively allowing inorganic ions to cross the membrane down their electrochemical gradient. While the study of ion desolvation free-energies have attracted much attention, the role of water inside the pore is less clear. Here, molecular dynamics simulations of a reduced model of the KcsA selectivity filter indicate that the equilibrium position of Na+, but not of K+, is strongly influenced by confined water. The latter forms a stable complex with Na+, moving the equilibrium position of the ion to the plane of the backbone carbonyls. Almost at the centre of the binding site, the water molecule is trapped by favorable electrostatic interactions and backbone hydrogen-bonds. In the absence of confined water the equilibrium position of both Na+ and K+ is identical. Our observations strongly suggest a previously unnoticed active role of confined water in the selectivity mechanism of ion channels.

  5. Tactical operations in confined and shallow waters (TOPICS)

    NARCIS (Netherlands)

    Kos, J.; Vermeulen, J.F.J.

    1996-01-01

    The tasks of navies have shifted towards crisis management and surveillance operations. Searching for a conventional submarine in confined and shallow waters in times of crisis becomes more and more important, The Operations Research model TOPICS should provide the Royal Netherlands Navy (RNLN with

  6. Structure and dynamics of confined alcohol-water mixtures

    NARCIS (Netherlands)

    Bampoulis, Pantelis; Witteveen, J.P.; Kooij, Ernst S.; Lohse, Detlef; Poelsema, Bene; Zandvliet, Henricus J.W.

    2016-01-01

    The effect of confinement between mica and graphene on the structure and dynamics of alcohol–water mixtures has been studied in situ and in real time at the molecular level by atomic force microscopy (AFM) at room temperature. AFM images reveal that the adsorbed molecules are segregated into faceted

  7. Superstable Ultrathin Water Film Confined in a Hydrophilized Carbon Nanotube.

    Science.gov (United States)

    Tomo, Yoko; Askounis, Alexandros; Ikuta, Tatsuya; Takata, Yasuyuki; Sefiane, Khellil; Takahashi, Koji

    2018-02-13

    Fluids confined in a nanoscale space behave differently than in the bulk due to strong interactions between fluid molecules and solid atoms. Here, we observed water confined inside "open" hydrophilized carbon nanotubes (CNT), with diameter of tens of nanometers, using transmission electron microscopy (TEM). A 1-7 nm water film adhering to most of the inner wall surface was observed and remained stable in the high vacuum (order of 10 -5 Pa) of the TEM. The superstability of this film was attributed to a combination of curvature, nanoroughness, and confinement resulting in a lower vapor pressure for water and hence inhibiting its vaporization. Occasional, suspended ultrathin water film with thickness of 3-20 nm were found and remained stable inside the CNT. This film thickness is 1 order of magnitude smaller than the critical film thickness (about 40 nm) reported by the Derjaguin-Landau-Verwey-Overbeek theory and previous experimental investigations. The stability of the suspended ultrathin water film is attributed to the additional molecular interactions due to the extended water meniscus, which balances the rest of the disjoining pressures.

  8. Hydrophobic-induced Surface Reorganization: Molecular Dynamics Simulations of Water Nanodroplet on Perfluorocarbon Self-Assembled Monolayers

    OpenAIRE

    Park, Sung Hyun; Carignano, Marcelo A.; Nap, Rikkert J.; Szleifer, Igal

    2010-01-01

    We carried out molecular dynamics simulations of water droplets on self-assembled monolayers of perfluorocarbon molecules. The interactions between the water droplet and the hydrophobic fluorocarbon surface were studied by systematically changing the molecular surface coverage and the mobility of the tethered head groups of the surface chain molecules. The microscopic contact angles were determined for different fluorocarbon surface densities. The contact angle at a nanometer length scale doe...

  9. Molecular dynamics and metadynamics simulations of electrosprayed water nanodroplets including sodium bis(2-ethylhexyl)sulfosuccinate micelles

    Science.gov (United States)

    Longhi, Giovanna; Ceselli, Alberto; Fornili, Sandro L.; Turco Liveri, Vincenzo

    2017-05-01

    The behavior of aqueous solutions of sodium bis(2-ethylhexyl)sulfosuccinate (AOTNa) under conditions of electrospray ionization (ESI) has been investigated by molecular dynamics (MD) and well-tempered metadynamics (WTM) simulations at 300 K and 400 K. We have examined water droplets with initial fixed numbers of water molecules (1000) and AOT- anions (100), and with sodium cations in the range of 70-130. At 300 K, all charged droplets show the water evaporation rate increasing with the absolute value of the initial droplet charge state (Z), accompanied by ejection of an increasing number of solvated sodium ions or by expulsion of AOT- anions depending on the sign of Z and by fragmentation in the case of high |Z|. At 400 K, the water evaporation becomes more rapid and the fission process more extensive. In all cases, the AOTNa molecules, arranged as a direct micelle inside the aqueous system, undergo a rapid inversion in vacuo so that the hydrophilic heads and sodium ions surrounded by water molecules move toward the droplet interior. At the end of the 100-ns MD simulations, some water molecules remain within the aggregates at both temperatures. The subsequent metadynamics simulations accelerate the droplet evolution and show that all systems become anhydrous, in agreement with the experimental results of ESI mass spectrometry. This complete water loss is accompanied by sodium counterion emission for positively charged aggregates at 300 K. The analysis shows how the temperature and droplet charge state affect the populations of the generated surfactant aggregates, providing information potentially useful in designing future ESI experimental conditions.

  10. Neutron scattering study of water confined in periodic mesoporous organosilicas

    Science.gov (United States)

    Levy, Esthy; Kay Chan, Lok; Yu, Dehong; Marek Koza, Michael; Mastai, Yitzhak; Ford, R. C.; Li, Jichen

    2010-07-01

    A series of quasi-elastic neutron scattering measurements were performed using IN6 at the Institute Laue Langevin for a mesoporous organosilica material with phenyl functions, called phenyltriethoxysilane (PTES). The aim of the experiment was to study the diffusion dynamics of nano-scale water clusters inside the hydrophobic pores as a function of temperature and hydration. By fitting the Debye-Waller factor, the data show clearly the different behavior between water, both inside and outside the hydrophobic pores, which resembles bulk water. The mean thermal displacement of the external water increases with T almost linearly up to 353 K, while the internal water quickly reaches the maximum at T˜323 K, indicating the confinement by an averaged pore diameter of the porous organosilica.

  11. Structural properties of water confined by phospholipid membranes

    Science.gov (United States)

    Martelli, Fausto; Ko, Hsin-Yu; Borallo, Carles Calero; Franzese, Giancarlo

    2018-02-01

    Biological membranes are essential for cell life and hydration. Water provides the driving force for the assembly and stability of many cell components. Here, we study the structural properties of water in a phospholipid membrane. We characterize the local structures, inspecting the intermediate range order (IRO) and adopting a sensitive local order metric recently proposed by Martelli et al. that measures and grades the degree of overlap of the local environment with the structures of perfect ice. Close to the membrane, water acquires a high IRO and changes its dynamical properties; i.e., its translational and rotational degrees of freedom slow in a region that extends over ≃ 1 nm from the membrane interface. Surprisingly, we show that at distances as far as ≃ 2:5 nm from the interface, although the bulk-like dynamics are recovered, the IRO of water is still slightly higher than that in the bulk under the same thermodynamic conditions. Therefore, the water-membrane interface has a structural effect at ambient conditions that propagates further than the often-invoked 1-nm length scale. Consequently, this should be considered when analyzing experimental data of water confined by membranes and could help us to understand the role of water in biological systems.

  12. Surface Impact Simulations of Helium Nanodroplets

    Science.gov (United States)

    2015-06-30

    AFRL-RW-EG-TP-2015-001 Surface Impact Simulations of Helium Nanodroplets Robert J. Hinde Department of Chemistry University of...TITLE AND SUBTITLE Surface Impact Simulations of Helium Nanodroplets 5a. CONTRACT NUMBER 5b. GRANT NUMBER FA8651-11-1-0005 5c. PROGRAM ELEMENT...captures atomic delocalization of the helium atoms characteristic of the quantum solvent, but allow the single-particle wavefunctions to vary throughout

  13. Formation of surface nanodroplets under controlled flow conditions

    NARCIS (Netherlands)

    Zhang, Xuehua; Lu, Ziyang; Tan, Huanshu; Bao, L.; He, Yinghe; Sun, Chao; Lohse, Detlef

    2015-01-01

    Nanodroplets on a solid surface (i.e., surface nanodroplets) have practical implications for high-throughput chemical and biological analysis, lubrications, laboratory-on-chip devices, and near-field imaging techniques. Oil nanodroplets can be produced on a solid–liquid interface in a simple step of

  14. Dynamics in geometrical confinement

    CERN Document Server

    Kremer, Friedrich

    2014-01-01

    This book describes the dynamics of low molecular weight and polymeric molecules when they are constrained under conditions of geometrical confinement. It covers geometrical confinement in different dimensionalities: (i) in nanometer thin layers or self supporting films (1-dimensional confinement) (ii) in pores or tubes with nanometric diameters (2-dimensional confinement) (iii) as micelles embedded in matrices (3-dimensional) or as nanodroplets.The dynamics under such conditions have been a much discussed and central topic in the focus of intense worldwide research activities within the last two decades. The present book discusses how the resulting molecular mobility is influenced by the subtle counterbalance between surface effects (typically slowing down molecular dynamics through attractive guest/host interactions) and confinement effects (typically increasing the mobility). It also explains how these influences can be modified and tuned, e.g. through appropriate surface coatings, film thicknesses or pore...

  15. Nanodroplets

    CERN Document Server

    Wang, Zhiming M

    2014-01-01

    Featuring material from celebrated innovators in this rapidly developing field of research, this book provides a comprehensive survey of recent advances in a subject certain to yield a host of powerful applications in technology and optoelectronics.

  16. The Properties of Confined Water and Fluid Flow at the Nanoscale

    Energy Technology Data Exchange (ETDEWEB)

    Schwegler, E; Reed, J; Lau, E; Prendergast, D; Galli, G; Grossman, J C; Cicero, G

    2009-03-09

    This project has been focused on the development of accurate computational tools to study fluids in confined, nanoscale geometries, and the application of these techniques to probe the structural and electronic properties of water confined between hydrophilic and hydrophobic substrates, including the presence of simple ions at the interfaces. In particular, we have used a series of ab-initio molecular dynamics simulations and quantum Monte Carlo calculations to build an understanding of how hydrogen bonding and solvation are modified at the nanoscale. The properties of confined water affect a wide range of scientific and technological problems - including protein folding, cell-membrane flow, materials properties in confined media and nanofluidic devices.

  17. Adhesion of alumina surfaces through confined water layers containing various molecules.

    Science.gov (United States)

    Rossetto, Hebert L; Bowen, James; Kendall, Kevin

    2012-03-13

    When two surfaces confine water layers between them at the nanoscale, the behavior of these confined water molecules can deviate significantly from the behavior of bulk water, and it could reflect on the adhesion of such surfaces. Thus, the aim of this study is to assess the role of confined water layers on the adhesion of hydrophilic surfaces and how sensitive this adhesion is to the presence of contaminants. Our methodology used under water AFM force measurements with an alumina-sputtered sphere-tipped cantilever and a flat alumina single crystal and then added fractions of ethanol, dimethylformamide, formamide, trimethylamine, and trehalose to water as contaminants. Such solutions were designed to illuminate the influences of dielectric constant, molecular size, refractive index, and number of hydrogen bonds from donors and acceptors of solutes to water. Apart from very dilute solutions of dimethylformamide, all solutions decreased the ability of confined water to give adhesion of the alumina surfaces. The predicted theoretical contribution of van der Waals and electrostatic forces was not observed when the contaminants distorted the way water organizes itself in confinement. The conclusion was that adhesion was sensitive mostly to the hydrogen-bonding network within water layers confined by the hydrophilic alumina surfaces.

  18. Estimating ship-induced sediment transport in confined waters

    Science.gov (United States)

    Ulm, Marius; Niehüser, Sebastian; Arns, Arne; Jensen, Jürgen; Kondziella, Bernhard; Uliczka, Klemens

    2017-04-01

    The maintenance of waterways is a challenging task for federal authorities. An expensive subtask is dredging and disposing of accumulated sediments. Dredging volumes are often estimated based on experience while the underlying physical transport processes causing sedimentations are not fully explored yet. For instance, in confined waterways moving ships have an influence on the turbidity by resuspending sediments which can then be transported by prevailing currents. Therefore, the German Federal Waterways Engineering and Research Institute (BAW) conducted an eight-day field campaign using a network of three probes which recorded parameters like turbidity, pressure, and flow velocities in the Kiel Canal (Schleswig-Holstein, Germany). The advantages of this canal as test site are the laboratory-like conditions with almost no natural flow and no influence of tides. Data assimilation and analysis of the field campaign have been performed at the Research Institute for Water and Environment at the University of Siegen as part of a research cooperation with the BAW to estimate the ship-induced proportion of the totally transported sediment volume in the Kiel Canal. Therefore the three high-frequency turbidity records from the canal bed were used to model the turbidity distribution in the canal cross-section. Linking the turbidity distributions with the measured flow velocities yields an estimation of the totally transported sediment volume during the field campaign. In a second step smoothing the turbidity and flow velocity time series and recalculating the estimation removes all ship influences from the transported volumes so that the difference in both volumes describes the ship-induced proportion of the totally transported sediment volume. As a result, a proportion of about 10% of the entirely transported sediments can be attributed to ship-induced resuspension. In reverse, the majority of the sediment transport originates from a slow but steady drainage flow in the

  19. Evidence of the Existence of the Low-Density Liquid Phase in Supercooled, Confined Water

    National Research Council Canada - National Science Library

    Francesco Mallamace; Matteo Broccio; Carmelo Corsaro; Antonio Faraone; Domenico Majolino; Valentina Venuti; Li Liu; Chung-Yuan Mou; Sow-Hsin Chen

    2007-01-01

    By confining water in a nanoporous structure so narrow that the liquid could not freeze, it is possible to study properties of this previously undescribed system well below its homogeneous nucleation temperature $T_{H}=231$ K...

  20. Significance of Confined Cavernous Systems for Outflow Channel Water Sources, Reactivation Mechanisms and Chaos Formation

    Science.gov (United States)

    Rodriguez, J. A. P.; Sasaki, S.; Miyamoto, H.; Dohm, J. M.

    2004-03-01

    Vast amounts of water released from the confined cavernous systems played an important role in the excavation of the outflow channels. Headsource reactivation happened due to ground subsidence and subsequent increase in hydrostatic pressure.

  1. Interatomic Coulombic decay in helium nanodroplets

    DEFF Research Database (Denmark)

    Shcherbinin, Mykola; Laforge, Aaron; Sharma, Vandana

    2017-01-01

    Interatomic Coulombic decay (ICD) is induced in helium nanodroplets by photoexciting the n=2 excited state of He+ using XUV synchrotron radiation. By recording multiple-coincidence electron and ion images we find that ICD occurs in various locations at the droplet surface, inside the surface region...

  2. Solvation dynamics in water confined within layered manganese dioxide

    Science.gov (United States)

    Remsing, Richard C.; Klein, Michael L.

    2017-09-01

    The confined environment presented by layered transition metal oxides is conducive to a variety of chemical reactions. Despite intense interest in these materials, little is known regarding the microscopic details relevant to their catalytic activity. We characterize aspects of the dynamics governing a redox reaction in the interlayer environment between manganese dioxide sheets. The nonequilibrium solvation dynamics surrounding charge transfer between an ion and the surface are highly non-linear and exhibit long-time relaxation that is governed by collective dynamics. These dynamics are rationalized in terms of structural rearrangements, allowing connections to be made to more complex reactions in these materials.

  3. Freeze-bond strength experiments,: radially confined compression tests on saline and fresh water samples.

    OpenAIRE

    Bueide, Ida Mari

    2014-01-01

    This thesis presents and analyses the method and results from strength experiments on freeze- bonds conducted on radially confined cylindrical samples (tri-axial tests). In total sixty samples were tested successfully, divided on twenty configurations. The variables consisted of confinement, submersion time, initial temperature and salinity (8 configurations with fresh water ice and 12 with 2-3ppt saline ice). The test set-up was similar to that of Møllegaard [2012] and Shafrova and Høyland [...

  4. Critical Landau velocity in helium nanodroplets.

    Science.gov (United States)

    Brauer, Nils B; Smolarek, Szymon; Loginov, Evgeniy; Mateo, David; Hernando, Alberto; Pi, Marti; Barranco, Manuel; Buma, Wybren J; Drabbels, Marcel

    2013-10-11

    The best-known property of superfluid helium is the vanishing viscosity that objects experience while moving through the liquid with speeds below the so-called critical Landau velocity. This critical velocity is generally considered a macroscopic property as it is related to the collective excitations of the helium atoms in the liquid. In the present work we determine to what extent this concept can still be applied to nanometer-scale, finite size helium systems. To this end, atoms and molecules embedded in helium nanodroplets of various sizes are accelerated out of the droplets by means of optical excitation, and the speed distributions of the ejected particles are determined. The measurements reveal the existence of a critical velocity in these systems, even for nanodroplets consisting of only a thousand helium atoms. Accompanying theoretical simulations based on a time-dependent density functional description of the helium confirm and further elucidate this experimental finding.

  5. Graphene confinement effects on melting/freezing point and structure and dynamics behavior of water.

    Science.gov (United States)

    Foroutan, Masumeh; Fatemi, S Mahmood; Shokouh, F

    2016-05-01

    In this work, the melting/freezing point of confined water between two graphene sheets was calculated from the direct coexistence of the solid-liquid interface. Also, molecular dynamics simulation of confined liquid water-ice between two graphene sheets was applied. The phase transition temperature of the confined ice-water mixture was calculated as 240K that was 29K less than the non-confined ice-water system. In order to study the behavior of water molecules at different distances from the graphene sheets, 5 regions were provided using some imaginary planes, located between two graphene sheets. The obtained simulation results showed that water molecules located in the region near each graphene sheet with the thickness of 2nm had a different behavior from other water molecules located in other regions. The results demonstrated that water molecules in the vicinity of graphene sheets had more mean square displacements than those in the middle regions. Copyright © 2016 Elsevier Inc. All rights reserved.

  6. Structure and mobility of water confined in AlPO4-54 nanotubes.

    Science.gov (United States)

    Gavazzoni, Cristina; Giovambattista, Nicolas; Netz, Paulo A; Barbosa, Marcia C

    2017-06-21

    We performed molecular dynamics simulations of water confined within AlPO4-54 nanotubes. AlPO4-54 is an artificial material made of AlO4 and of PO4 in tetrahedra arranged in a periodic structure forming pores of approximately 1.3 nm in diameter. This makes AlPO4-54 an excellent candidate for practical applications, such as for water filtration and desalination. In this work, the structural and dynamical properties of the confined water are analyzed for various temperatures and water loadings. We find that the water structure is controlled by the heterogeneity of the nanopore surface with the water molecules located preferentially next to the surface of oxygens of AlPO4-54; consequently, at very low densities, water forms helicoidal structures in string-like arrangements.

  7. Properties of Water Confined in Periodic Mesoporous Organosilicas: Nanoimprinting the Local Structure.

    Science.gov (United States)

    Mietner, J Benedikt; Brieler, Felix J; Lee, Young Joo; Fröba, Michael

    2017-09-25

    The properties of materials confined in porous media are important in scientific and technological aspects. Topology, size, and surface polarity of the pores play a critical role in the confinement effects, however, knowledge regarding the guest-pore interface structure is still lacking. Herein, we show that the molecular mobility of water confined in periodic mesoporous organosilicas (PMOs) is influenced by the polarity of the organic moiety. Multidimensional solid-state NMR spectroscopy directly probes the spatial arrangement of water inside the pores, showing that water interacts either with only the silicate layer or with both silicate and organic layers depending on the alternating surface polarity. A modulated and a uniform pore filling mode are proposed for different types of PMOs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Dynamics of a nanodroplet under a transmission electron microscope

    Energy Technology Data Exchange (ETDEWEB)

    Leong, Fong Yew, E-mail: leongfy@ihpc.a-star.edu.sg [A-STAR Institute of High Performance Computing, 1 Fusionopolis Way, Connexis, Singapore 138632 (Singapore); Mirsaidov, Utkur M. [Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Center for BioImaging Sciences, National University of Singapore, Science Drive 4, Singapore 117543 (Singapore); Matsudaira, Paul [Center for BioImaging Sciences, National University of Singapore, Science Drive 4, Singapore 117543 (Singapore); MechanoBiology Institute, National University of Singapore, 5A Engineering Drive 1, Singapore 117411 (Singapore); Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543 (Singapore); Singapore-MIT Alliance for Research and Technology Center, Science Drive 2, Singapore 117543 (Singapore); Mahadevan, L. [School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA and Department of Physics, Harvard University, Cambridge, Massachusetts 02138 (United States)

    2014-01-15

    We investigate the cyclical stick-slip motion of water nanodroplets on a hydrophilic substrate viewed with and stimulated by a transmission electron microscope. Using a continuum long wave theory, we show how the electrostatic stress imposed by non-uniform charge distribution causes a pinned convex drop to deform into a toroidal shape, with the shape characterized by the competition between the electrostatic stress and the surface tension of the drop, as well as the charge density distribution which follows a Poisson equation. A horizontal gradient in the charge density creates a lateral driving force, which when sufficiently large, overcomes the pinning induced by surface heterogeneities in the substrate disjoining pressure, causing the drop to slide on the substrate via a cyclical stick-slip motion. Our model predicts step-like dynamics in drop displacement and surface area jumps, qualitatively consistent with experimental observations.

  9. Anomalous water dynamics at surfaces and interfaces: synergistic effects of confinement and surface interactions.

    Science.gov (United States)

    Biswas, Rajib; Bagchi, Biman

    2018-01-10

    In nature, water is often found in contact with surfaces that are extended on the scale of molecule size but small on a macroscopic scale. Examples include lipid bilayers and reverse micelles as well as biomolecules like proteins, DNA and zeolites, to name a few. While the presence of surfaces and interfaces interrupts the continuous hydrogen bond network of liquid water, confinement on a mesoscopic scale introduces new features. Even when extended on a molecular scale, natural and biological surfaces often have features (like charge, hydrophobicity) that vary on the scale of the molecular diameter of water. As a result, many new and exotic features, which are not seen in the bulk, appear in the dynamics of water close to the surface. These different behaviors bear the signature of both water-surface interactions and of confinement. In other words, the altered properties are the result of the synergistic effects of surface-water interactions and confinement. Ultrafast spectroscopy, theoretical modeling and computer simulations together form powerful synergistic approaches towards an understanding of the properties of confined water in such systems as nanocavities, reverse micelles (RMs), water inside and outside biomolecules like proteins and DNA, and also between two hydrophobic walls. We shall review the experimental results and place them in the context of theory and simulations. For water confined within RMs, we discuss the possible interference effects propagating from opposite surfaces. Similar interference is found to give rise to an effective attractive force between two hydrophobic surfaces immersed and kept fixed at a separation of d, with the force showing an exponential dependence on this distance. For protein and DNA hydration, we shall examine a multitude of timescales that arise from frustration effects due to the inherent heterogeneity of these surfaces. We pay particular attention to the role of orientational correlations and modification of the

  10. Nanodroplet chemical microarrays and label-free assays.

    Science.gov (United States)

    Gosalia, Dhaval; Diamond, Scott L

    2010-01-01

    The microarraying of chemicals or biomolecules on a glass surface allows for dense storage and miniaturized screening experiments and can be deployed in chemical-biology research or drug discovery. Microarraying allows the production of scores of replicate slides. Small molecule libraries are typically stored as 10 mM DMSO stock solutions, whereas libraries of biomolecules are typically stored in high percentages of glycerol. Thus, a method is required to print such libraries on microarrays, and then assay them against biological targets. By printing either small molecule libraries or biomolecule libraries in an aqueous solvent containing glycerol, each adherent nanodroplet remains fixed at a position on the microarray by surface tension without the use of wells, without evaporating, and without the need for chemically linking the compound to the surface. Importantly, glycerol is a high boiling point solvent that is fully miscible with DMSO and water and has the additional property of stabilizing various enzymes. The nanoliter volume of the droplet forms the reaction compartment once additional reagents are metered onto the microarray, either by aerosol spray deposition or by addressable acoustic dispensing. Incubation of the nanodroplet microarray in a high humidity environment controls the final water content of the reaction. This platform has been validated for fluorescent HTS assays of protease and kinases as well as for fluorogenic substrate profiling of proteases. Label-free HTS is also possible by running nanoliter HTS reactions on a MALDI target for mass spectrometry (MS) analysis without the need for desalting of the samples. A method is described for running nanoliter-scale multicomponent homogeneous reactions followed by label-free MALDI MS spectrometry analysis of the reactions.

  11. Anomalous water dynamics at surfaces and interfaces: synergistic effects of confinement and surface interactions

    Science.gov (United States)

    Biswas, Rajib; Bagchi, Biman

    2018-01-01

    In nature, water is often found in contact with surfaces that are extended on the scale of molecule size but small on a macroscopic scale. Examples include lipid bilayers and reverse micelles as well as biomolecules like proteins, DNA and zeolites, to name a few. While the presence of surfaces and interfaces interrupts the continuous hydrogen bond network of liquid water, confinement on a mesoscopic scale introduces new features. Even when extended on a molecular scale, natural and biological surfaces often have features (like charge, hydrophobicity) that vary on the scale of the molecular diameter of water. As a result, many new and exotic features, which are not seen in the bulk, appear in the dynamics of water close to the surface. These different behaviors bear the signature of both water–surface interactions and of confinement. In other words, the altered properties are the result of the synergistic effects of surface–water interactions and confinement. Ultrafast spectroscopy, theoretical modeling and computer simulations together form powerful synergistic approaches towards an understanding of the properties of confined water in such systems as nanocavities, reverse micelles (RMs), water inside and outside biomolecules like proteins and DNA, and also between two hydrophobic walls. We shall review the experimental results and place them in the context of theory and simulations. For water confined within RMs, we discuss the possible interference effects propagating from opposite surfaces. Similar interference is found to give rise to an effective attractive force between two hydrophobic surfaces immersed and kept fixed at a separation of d, with the force showing an exponential dependence on this distance. For protein and DNA hydration, we shall examine a multitude of timescales that arise from frustration effects due to the inherent heterogeneity of these surfaces. We pay particular attention to the role of orientational correlations and modification of

  12. Effect of microcontent of oil in water under confined condition

    Science.gov (United States)

    Ma, Liran; Luo, Jianbin; Zhang, Chenhui; Liu, Shuhai; Zhu, Tao

    2009-08-01

    The lubricant film thickness between two contacting surfaces is important for the evaluation of lubrication effectiveness. According to the elastohydrodynamic lubrication theory, the film thickness of pure water is usually on the order of a few nanometers. It was found, however, that microcontent of oil contamination can cause a lubricant film more than 100 nm, much thicker than the predicted. The effect of micro-oil content in water between a smooth plate and a highly polished steel ball was investigated. The film forming characteristic of such films was presented. The film formation mechanism and influencing factors were discussed.

  13. Dielectric Relaxations of Confined Water in Porous Silica Ceramics

    Indian Academy of Sciences (India)

    25

    result of osteoporosis diseases. That is why porous silica ceramics that can play a role to represent this structure have been chosen. Dielectric measurements were carried out on these ceramics filled with water. The present study has taken into account the lateral surface state of the sample that can visualize the existence ...

  14. Effects of confinement on the dielectric response of water extends up to mesoscale dimensions

    DEFF Research Database (Denmark)

    De Luca, Sergio; Kannam, Sridhar Kumar; Todd, B.D.

    2016-01-01

    of confined water under the influence of external electric fields along with the dipolar fluctuations at equilibrium. The confinement induces a strong anisotropic effect which is evident up to 100 nm channel width, and may extend to macroscopic dimensions. The root-mean-square fluctuations of the total......The extent of confinement effects on water is not clear in the literature. While some properties are affected only within a few nanometers from the wall surface, others are affected over long length scales, but the range is not clear. In this work, we have examined the dielectric response...... orientational dipole moment in the direction perpendicular to the surfaces is 1 order of magnitude smaller than the value attained in the parallel direction and is independent of the channel width. Consequently, the isotropic condition is unlikely to be recovered until the channel width reaches macroscopic...

  15. Communication: Relationship between local structure and the stability of water in hydrophobic confinement

    Science.gov (United States)

    Altabet, Y. Elia; Debenedetti, Pablo G.

    2017-12-01

    Liquid water confined between nanoscale hydrophobic objects can become metastable with respect to its vapor at nanoscale separations. While the separations are only several molecular diameters, macroscopic theories are often invoked to interpret the thermodynamics and kinetics of water under confinement. We perform detailed rate and free energy calculations via molecular simulations in order to assess the dependence of the rate of evaporation, free energy barriers, and free energy differences between confined liquid and vapor upon object separation and compare them to the relevant macroscopic theories. At small enough separations, the rate of evaporation appears to deviate significantly from the predictions of classical nucleation theory, and we attribute such deviations to changes in the structure of the confined liquid film. However, the free energy difference between the confined liquid and vapor phases agrees quantitatively with macroscopic theory, and the free energy barrier to condensation displays qualitative agreement. Overall, the present work suggests that theories attempting to capture the kinetic behavior of nanoscale systems should incorporate structural details rather than treating it as a continuum.

  16. Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field

    Science.gov (United States)

    Zhou, Min; Hu, Ying; Liu, Jian-chuan; Cheng, Ke; Jia, Guo-zhu

    2017-10-01

    In this paper, molecular dynamics simulations were performed to investigate the transportation and hydrogen bonding dynamics of water confined in (6, 6) single-walled carbon nanotube (SWCNT) in the absence and presence of time-dependent pulse-field. The effects of pulse-field range from microwave to ultraviolet frequency on the diffusivity and hydrogen bonding of confined water were analyzed. The significant confinement effect due to the narrow space inside SWCNT was observed.

  17. Dynamics of supercooled confined water measured by deep inelastic neutron scattering

    Science.gov (United States)

    De Michele, Vincenzo; Romanelli, Giovanni; Cupane, Antonio

    2018-02-01

    In this paper, we present the results of deep inelastic neutron scattering (DINS) measurements on supercooled water confined within the pores (average pore diameter 20 Å) of a disordered hydrophilic silica matrix obtained through hydrolysis and polycondensation of the alkoxide precursor Tetra-Methyl-Ortho-Silicate via the sol-gel method. Experiments were performed at two temperatures (250 K and 210 K, i.e., before and after the putative liquid-liquid transition of supercooled confined water) on a "wet" sample with hydration h 40% w/w, which is high enough to have water-filled pores but low enough to avoid water crystallization. A virtually "dry" sample at h 7% was also investigated to measure the contribution of the silica matrix to the neutron scattering signal. As is well known, DINS measurements allow the determination of the mean kinetic energy and the momentum distribution of the hydrogen atoms in the system and therefore, allow researchers to probe the local structure of supercooled confined water. The main result obtained is that at 210 K the hydrogen mean kinetic energy is equal or even slightly higher than at 250 K. This is at odds with the predictions of a semiempirical harmonic model recently proposed to describe the temperature dependence of the kinetic energy of hydrogen in water. This is a new and very interesting result, which suggests that at 210 K, the water hydrogens experience a stiffer intermolecular potential than at 250 K. This is in agreement with the liquid-liquid transition hypothesis.

  18. Neutron diffraction studies of structural phase transformations for water-ice in confined geometry

    OpenAIRE

    Dore, John C.; J. Beau W. WEBBER; Hartl, Monika; Behrens, Peter; Hansen, Thomas

    2002-01-01

    Neutron diffraction measurements have been made for D2O water in\\ud the confined geometry of various mesoporous silicas over a wide temperature range. The data have been taken for cooling and heating runs incorporating the nucleation and melting of the crystalline phases and the super-cooled liquid phase. The crystalline forms and the temperatures at which they change are shown to be strongly dependent on the pore size and type of silica used as the confining medium and relate to the phase re...

  19. Low-frequency dynamical response of confined water in normal and supercooled regions obtained by IINS

    CERN Document Server

    Crupi, V; Migliardo, P; Venuti, V; Dianoux, A J

    2002-01-01

    We analyzed incoherent inelastic neutron scattering spectra of water confined in a nanoporous Gelsil matrix, with very small pore diameter (26 A). The study is addressed to the evolution of the one-phonon amplitude-weighted proton vibrational density of states, Z(omega), when the water loses its peculiar bulk properties and originates a new structural environment due to its surface interactions. (orig.)

  20. Finding confined water in the hexagonal phase of Bi0. 05Eu0. 05Y0 ...

    Indian Academy of Sciences (India)

    1H MAS NMR spectra of Bi0.05Eu0.05Y0.90PO4·H2O show chemical shift from −0.56 ppm at 300 K to −3.8 ppm at 215 K and another one at 5–6 ppm, which are related to the confined or interstitial water in the hexagonal structure and water molecules on the surface of the particles, respectively. Negative value of the ...

  1. Incipient ferroelectricity of water molecules confined to nano-channels of beryl

    OpenAIRE

    Gorshunov, B. P.; Torgashev, V. I.; Zhukova, E. S.; Thomas, V. G.; Belyanchikov, M. A.; Kadlec, C.; Kadlec, F.; Savinov, M.; Ostapchuk, T.; Petzelt, J.; Prokle?ka, J.; Tomas, P. V.; Pestrjakov, E. V.; Fursenko, D. A.; Shakurov, G. S.

    2016-01-01

    Water is characterized by large molecular electric dipole moments and strong interactions between molecules; however, hydrogen bonds screen the dipole?dipole coupling and suppress the ferroelectric order. The situation changes drastically when water is confined: in this case ordering of the molecular dipoles has been predicted, but never unambiguously detected experimentally. In the present study we place separate H2O molecules in the structural channels of a beryl single crystal so that they...

  2. Influence of metal ions intercalation on the vibrational dynamics of water confined between MXene layers

    Science.gov (United States)

    Osti, Naresh C.; Naguib, Michael; Ganeshan, Karthik; Shin, Yun K.; Ostadhossein, Alireza; van Duin, Adri C. T.; Cheng, Yongqiang; Daemen, Luke L.; Gogotsi, Yury; Mamontov, Eugene; Kolesnikov, Alexander I.

    2017-11-01

    Two-dimensional (2D) carbides and nitrides of early transition metals (MXenes) combine high conductivity with hydrophilic surfaces, which make them promising for energy storage, electrocatalysis, and water desalination. The effects of intercalated metal ions on the vibrational states of water confined in Ti3C2Tx MXenes have been explored using inelastic neutron scattering (INS) and molecular-dynamics simulations to better understand the mechanisms that control MXenes' behavior in aqueous electrolytes, water purification, and other important applications. We observe an INS signal from water in all samples, pristine and with lithium, sodium, or potassium ions intercalated between the 2D Ti3C2Tx layers. However, only a small amount of water is found to reside in Ti3C2Tx intercalated with metal ions. Water in pristine Ti3C2Tx is more disordered, with bulklike characteristics, in contrast to intercalated Ti3C2Tx , where water is more ordered, irrespective of the metal ions used for intercalation. The ordering of the confined water increases with the ion size. This finding is further confirmed from molecular-dynamics simulation, which showed an increase in interference of water molecules with increasing ion size resulting in a concomitant decrease in water mobility, therefore providing guidance to tailor MXene properties for energy and environmental applications.

  3. Effects of Confinement on the Dielectric Response of Water Extends up to Mesoscale Dimensions.

    Science.gov (United States)

    De Luca, Sergio; Kannam, Sridhar Kumar; Todd, B D; Frascoli, Federico; Hansen, J S; Daivis, Peter J

    2016-05-17

    The extent of confinement effects on water is not clear in the literature. While some properties are affected only within a few nanometers from the wall surface, others are affected over long length scales, but the range is not clear. In this work, we have examined the dielectric response of confined water under the influence of external electric fields along with the dipolar fluctuations at equilibrium. The confinement induces a strong anisotropic effect which is evident up to 100 nm channel width, and may extend to macroscopic dimensions. The root-mean-square fluctuations of the total orientational dipole moment in the direction perpendicular to the surfaces is 1 order of magnitude smaller than the value attained in the parallel direction and is independent of the channel width. Consequently, the isotropic condition is unlikely to be recovered until the channel width reaches macroscopic dimensions. Consistent with dipole moment fluctuations, the effect of confinement on the dielectric response also persists up to channel widths considerably beyond 100 nm. When an electric field is applied in the perpendicular direction, the orientational relaxation is 3 orders of magnitude faster than the dipolar relaxation in the parallel direction and independent of temperature.

  4. Glass transition and relaxation dynamics of propylene glycol-water solutions confined in clay

    Science.gov (United States)

    Elamin, Khalid; Björklund, Jimmy; Nyhlén, Fredrik; Yttergren, Madeleine; Mârtensson, Lena; Swenson, Jan

    2014-07-01

    The molecular dynamics of aqueous solutions of propylene glycol (PG) and propylene glycol methylether (PGME) confined in a two-dimensional layer-structured Na-vermiculite clay has been studied by broadband dielectric spectroscopy and differential scanning calorimetry. As typical for liquids in confined geometries the intensity of the cooperative α-relaxation becomes considerably more suppressed than the more local β-like relaxation processes. In fact, at high water contents the calorimetric glass transition and related structural α-relaxation cannot even be observed, due to the confinement. Thus, the intensity of the viscosity related α-relaxation is dramatically reduced, but its time scale as well as the related glass transition temperature Tg are for both systems only weakly influenced by the confinement. In the case of the PGME-water solutions it is an important finding since in the corresponding bulk system a pronounced non-monotonic concentration dependence of the glass transition related dynamics has been observed due to the growth of hydrogen bonded relaxing entities of water bridging between PGME molecules [J. Sjöström, J. Mattsson, R. Bergman, and J. Swenson, Phys. Chem. B 115, 10013 (2011)]. The present results suggest that the same type of structural entities are formed in the quasi-two-dimensional space between the clay platelets. It is also observed that the main water relaxation cannot be distinguished from the β-relaxation of PG or PGME in the concentration range up to intermediate water contents. This suggests that these two processes are coupled and that the water molecules affect the time scale of the β-relaxation. However, this is most likely true also for the corresponding bulk solutions, which exhibit similar time scales of this combined relaxation process below Tg. Finally, it is found that at higher water contents the water relaxation does not merge with, or follow, the α-relaxation above Tg, but instead crosses the

  5. A Nanodroplet Processor for Advanced Microencapsulated Drug Formulations Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of this proposal is to provide a demonstration of a nanodroplet synthesis of multifunctional liposomes for drug delivery based on immiscible...

  6. A Nanodroplet Processor for Advanced Microencapsulated Drug Formulations Project

    Data.gov (United States)

    National Aeronautics and Space Administration — During this Phase II program we propose to build on the key aspects of the nanodroplet encapsulation technology to demonstrate optimized formulation and...

  7. Evidence for confinement induced phase separation in ethanol–water mixture: a positron annihilation study

    Science.gov (United States)

    Muthulakshmi, T.; Dutta, D.; Maheshwari, Priya; Pujari, P. K.

    2018-01-01

    We report an experimental evidence for the phase separation of ethanol–water mixture confined in mesoporous silica with different pore size using positron annihilation lifetime spectroscopy (PALS). A bulk-like liquid in the core of the pore and a distinct interfacial region near the pore surface have been identified based on ortho-positronium lifetime components. The lifetime corresponding to the core liquid shows similar behavior to the bulk liquid mixture while the interfacial lifetime shows an abrupt rise within a particular range of ethanol concentration depending on the pore size. This abrupt increase is attributed to the appearance of excess free-volume near the interfacial region. The excess free-volume is originated due to microphase separation of confined ethanol–water primarily at the vicinity of the pore wall. We envisage that probing free-volume changes at the interface using PALS is a sensitive way to investigate microphase separation under nanoconfinement.

  8. Electric-field-induced structural changes in water confined between two graphene layers

    Science.gov (United States)

    Sobrino Fernández, Mario; Peeters, F. M.; Neek-Amal, M.

    2016-07-01

    An external electric field changes the physical properties of polar liquids due to the reorientation of their permanent dipoles. Using molecular dynamics simulations, we predict that an in-plane electric field applied parallel to the channel polarizes water molecules which are confined between two graphene layers, resulting in distinct ferroelectricity and electrical hysteresis. We found that electric fields alter the in-plane order of the hydrogen bonds: Reversing the electric field does not restore the system to the nonpolar initial state, instead a residual dipole moment remains in the system. The square-rhombic structure of 2D ice is transformed into two rhombic-rhombic structures. Our study provides insights into the ferroelectric state of water when confined in nanochannels and shows how this can be tuned by an electric field.

  9. Water transport confined in graphene oxide channels through the rarefied effect.

    Science.gov (United States)

    Chen, Bo; Jiang, Haifeng; Liu, Xiang; Hu, Xuejiao

    2018-02-21

    Understanding the mechanism of water transport inside an interlayer between graphene-based plates has tremendous value for theoretical studies and industrial applications. The fluid flow confined in nano-scaled spaces experiences a slip velocity near the wall, which is significantly different to that of bulk water. Here we propose a model combining classic hydrodynamics with kinetic theory to depict the dependency of the slip effect on the oxide concentration of valley plates. The influence of oxidized graphene on water flow is a comprehensive result of a slipped boundary, and depends on both the diffuse reflection coefficient of the wall, and the shrunken effective passageway caused by the electrostatic interactions between the oxidized surface and the water molecules. The former effect enhances the water flow, which reduces with increasing oxide concentration, while the latter effect inhibits water flow. We examine the diffuse reflection coefficient and the shrunken effective passageway at different oxide concentrations of the GO sheets by molecular dynamics simulations, and we quantitively predict the flux relationship at various concentrations. This work provides a molecular insight into transport processes of confined water and a useful guideline for the design of perfect graphene-derived membranes for desalination.

  10. Low-temperature dielectric measurements of confined water in porous granites

    Science.gov (United States)

    Gonçalves da Silva, Hugo; Prezas, Pedro; Vinagre, Ana; Graça, Manuel F.; Monteiro, Jorge H.; Tlemçani, Mouhaydine; Moita, Patrícia; Pinho, António; Bezzeghoud, Mourad; Mendiratta, Sushil K.; Rosa, Rui N.

    2014-05-01

    Three different granitic rocks extracted from Évora (in the south of Portugal) where used to perform dielectric measurements in the frequency range from 100 Hz to 1 MHz and temperatures 100 - 350 K. Thin cylindrical samples were prepared and circular electrodes were established using silver conductive paint. A clear anomaly appears, for T ~ 200 - 220 K, in the dielectric measurements of the samples studied. This anomaly occurs in different materials and coincides with a phase transition of supercooled water. Tightly bounded water confined in the pores of the rock do not crystallize at 273 K, but form a metastable liquid down to 200 - 220 K increasing water polarization. Below this temperature water molecules solidify and polarizability decreases. The rock presenting the most sizeable anomaly has a very low specific surface area, ~ 0.09 m2g-1, and connected porosity, ~ 1.10 %. In addition, geochemical analyses reveal almost inexistence of water molecules in its structure confirming the role of confined water in the anomaly. Comparison between saturated, oven dried, and vacuum dried samples is done. Finally, a logarithmic dependency of the critical temperature for the supercooled water phase transition with the measuring frequency is found. The authors acknowledge the support of FCT (Portuguese Science and Technology Foundation) through the project PTDC/GEO-FIQ/4178/2012.

  11. Surface freezing of n-octane nanodroplets

    Science.gov (United States)

    Modak, Viraj; Pathak, Harshad; Thayer, Mitchell; Singer, Sherwin; Wyslouzil, Barbara

    2013-05-01

    Surface freezing, at temperatures up to a few degrees above the equilibrium melting point, has been observed for intermediate chain length (16≤ i≤ 50) n-alkanes [B. M. Ocko, X. Z. Wu, E. B. Sirota, S. K. Sinha, O. Gang and M. Deutsch, Phys. Rev. E, 1997, 55, 3164-3182]. Our recent experimental results suggest that surface freezing is also the first step when highly supercooled nanodroplets of n-octane crystallize. Our data yield surface and bulk nucleation rates on the order of ˜1015/cm2.s and ˜1022/cm3.s, respectively. Complementary molecular dynamics simulations also show that the surface of the droplet freezes almost immediately, and freezing of the remainder of the droplet progresses in a layer-by-layer manner.

  12. The rose petal effect and the role of advancing water contact angles for drop confinement

    Science.gov (United States)

    Kofoed Mandsberg, Nikolaj; Taboryski, Rafael

    2017-06-01

    We studied the role of advancing water contact angles on superhydrophobic surfaces that exhibited strong pinning effects as known in nature from rose petals. Textured surfaces were engineered in silicon by lithographical techniques. The textures were comprised of hexagonal microstructures superimposed with randomly distributed nanospikes and were coated with a hydrophobic fluorocarbon agent. A step in the advancing water contact angle bounding specific areas was obtained by engineering a corresponding topographic step in the hexagonal micro-texture. This enabled a surface texture design confining drops to areas with a lower advancing contact angle.

  13. Effect of chemical environment on the dynamics of water confined in calcium silicate minerals: natural and synthetic tobermorite.

    Science.gov (United States)

    Monasterio, Manuel; Gaitero, Juan J; Manzano, Hegoi; Dolado, Jorge S; Cerveny, Silvina

    2015-05-05

    Confined water in the slit mesopores of the mineral tobermorite provides an excellent model system for analyzing the dynamic properties of water confined in cement-like materials. In this work, we use broadband dielectric spectroscopy (BDS) to analyze the dynamic of water entrapped in this crystalline material. Two samples, one natural and one synthetic, were analyzed, and despite their similar structure, the motion of confined water in their zeolitic cavity displays considerably different behavior. The water dynamics splits into two different behaviors depending on the chemical nature of the otherwise identical structural environment: water molecules located in areas where the primary building units are SiO4 relax slowly compared to water molecules located in cavities built with both AlO4 and SiO4. Compared to water confined in regular porous systems, water restricted in tobermorite is slower, indicating that the mesopore structure induces high disorder in the water structure. A comparison with water confined in the C-S-H gel is also discussed in this work. The strong dynamical changes in water due to the presence of aluminum might have important implications in the chemical transport of ions within hydrated calcium silicates, a process that governs the leaching and chemical degradation of cement.

  14. Density profile of water confined in cylindrical pores in MCM-41 silica.

    Science.gov (United States)

    Soper, Alan K

    2012-02-15

    Recently, water absorbed in the porous silica material MCM-41-S15 has been used to demonstrate an apparent fragile to strong dynamical crossover on cooling below ∼220 K, and also to claim that the density of confined water reaches a minimum at a temperature around 200 K. Both of these behaviours are purported to arise from the crossing of a Widom line above a conjectured liquid-liquid critical point in bulk water. Here it is shown that traditional estimates of the pore diameter in this porous silica material (of order 15 Å) are too small to allow the amount of water that is observed to be absorbed by these materials (around 0.5 g H(2)O/g substrate) to be absorbed only inside the pore. Either the additional water is absorbed on the surface of the silica particles and outside the pores, or else the pores are larger than the traditional estimates. In addition the low Q Bragg intensities from a sample of MCM-41-S15 porous silica under different dry and wet conditions and with different hydrogen isotopes are simulated using a simple model of the water and silica density profile across the pore. It is found the best agreement of these intensities with experimental data is shown by assuming the much larger pore diameter of 25 Å (radius 12.5 Å). Qualitative agreement is found between these simulated density profiles and those found in recent empirical potential structure refinement simulations of the same data, even though the latter data did not specifically include the Bragg peaks in the structure refinement. It is shown that the change in the (100) peak intensity on cooling from 300 to 210 K, which previously has been ascribed to a change in density of the confined water on cooling, can equally be ascribed to a change in density profile at constant average density. It is further pointed out that, independent of whether the pore diameter really is as large as 25 Å or whether a significant amount of water is absorbed outside the pore, the earlier reports of a

  15. Incipient ferroelectricity of water molecules confined to nano-channels of beryl

    Science.gov (United States)

    Gorshunov, B. P.; Torgashev, V. I.; Zhukova, E. S.; Thomas, V. G.; Belyanchikov, M. A.; Kadlec, C.; Kadlec, F.; Savinov, M.; Ostapchuk, T.; Petzelt, J.; Prokleška, J.; Tomas, P. V.; Pestrjakov, E. V.; Fursenko, D. A.; Shakurov, G. S.; Prokhorov, A. S.; Gorelik, V. S.; Kadyrov, L. S.; Uskov, V. V.; Kremer, R. K.; Dressel, M.

    2016-09-01

    Water is characterized by large molecular electric dipole moments and strong interactions between molecules; however, hydrogen bonds screen the dipole-dipole coupling and suppress the ferroelectric order. The situation changes drastically when water is confined: in this case ordering of the molecular dipoles has been predicted, but never unambiguously detected experimentally. In the present study we place separate H2O molecules in the structural channels of a beryl single crystal so that they are located far enough to prevent hydrogen bonding, but close enough to keep the dipole-dipole interaction, resulting in incipient ferroelectricity in the water molecular subsystem. We observe a ferroelectric soft mode that causes Curie-Weiss behaviour of the static permittivity, which saturates below 10 K due to quantum fluctuations. The ferroelectricity of water molecules may play a key role in the functioning of biological systems and find applications in fuel and memory cells, light emitters and other nanoscale electronic devices.

  16. Optical study of xanthene-type dyes in nano-confined liquid

    Science.gov (United States)

    Mahdi Shavakandi, Seyyed; Alizadeh, Khalil; Sharifi, Soheil; Marti, Othmar; Amirkhani, Masoud

    2017-04-01

    The optical activity of dye molecules in different environments is of great interest for many applications such as laser system or biological imaging. We investigate the fluorescence and absorption spectrum of nano-confined xanthene dyes (RhB and fluorescein sodium salt) in a two-phase liquid. Each show very distinct optical behavior in the water phase of a reverse microemulsion. Their optical properties such as absorption and fluorescence for different concentrations of dye and nanodroplets are investigated. We show that for the same concentration of dye in the microemulsion the peak of fluorescence intensity is varied by altering the concentration of nanodroplets. However, the trend of the change is widely different depending on the hydrophobicity of dyes. Quantum-mechanical second order perturbation theory is used to calculate the ratio of dipole moments in the ground and excited states, which accounts for the Stokes shift in fluorescence peak. Photon correlation spectroscopy is employed to check the trace of the dye in the oil phase of the microemulsion.

  17. Experimental Evidence for a Liquid-Liquid Crossover in Deeply Cooled Confined Water

    Science.gov (United States)

    Cupane, Antonio; Fomina, Margarita; Piazza, Irina; Peters, Judith; Schirò, Giorgio

    2014-11-01

    In this work we investigate, by means of elastic neutron scattering, the pressure dependence of mean square displacements (MSD) of hydrogen atoms of deeply cooled water confined in the pores of a three-dimensional disordered SiO2 xerogel; experiments have been performed at 250 and 210 K from atmospheric pressure to 1200 bar. The "pressure anomaly" of supercooled water (i.e., a mean square displacement increase with increasing pressure) is observed in our sample at both temperatures; however, contrary to previous simulation results and to the experimental trend observed in bulk water, the pressure effect is smaller at lower (210 K) than at higher (250 K) temperature. Elastic neutron scattering results are complemented by differential scanning calorimetry data that put in evidence, besides the glass transition at about 170 K, a first-order-like endothermic transition occurring at about 230 K that, in view of the neutron scattering results, can be attributed to a liquid-liquid crossover. Our results give experimental evidence for the presence, in deeply cooled confined water, of a crossover occurring at about 230 K (at ambient pressure) from a liquid phase predominant at 210 K to another liquid phase predominant at 250 K; therefore, they are fully consistent with the liquid-liquid transition hypothesis.

  18. Surface nanodroplets for highly efficient liquid-liquid microextraction

    Science.gov (United States)

    Li, Miaosi; Lu, Ziyang; Yu, Haitao; Zhang, Xuehua

    2016-11-01

    Nanoscale droplets on a substrate are an essential element for a wide range of applications, such as laboratory-on-chip devices, simple and highly efficient miniaturized reactors for concentrating products, high-throughput single-bacteria or single-biomolecular analysis, encapsulation, and high-resolution imaging techniques. The solvent exchange process is a simple bottom-up approach for producing droplets at solid-liquid interfaces that are only several tens to hundreds of nanometers in height, or a few femtoliters in volume Oil nanodroplets can be produced on a substrate by solvent exchange in which a good solvent of oil is displaced by a poor solvent. Our previous work has significantly advanced understanding of the principle of solvent exchange, and the droplet size can be well-controlled by several parameters, including flow rates, flow geometry, gravitational effect and composition of solutions. In this work, we studied the microextraction effect of surface nanodroplets. Oil nanodroplets have been demonstrated to provide highly-efficient liquid-liquid microextraction of hydrophobic solute in a highly diluted solution. This effect proved the feasibility of nanodroplets as a platform for preconcentrating compounds for in situ highly sensitive microanalysis without further separation. Also the long lifetime and temporal stability of surface nanodroplets allow for some long-term extraction process and extraction without addition of stabilisers.

  19. Water-level conditions in the confined aquifers of the New Jersey Coastal Plain, 2008

    Science.gov (United States)

    Depaul, Vincent T.; Rosman, Robert

    2015-01-01

    Groundwater-level altitudes in 10 confined aquifers of the New Jersey Coastal Plain were measured and evaluated to provide an overview of regional groundwater conditions during fall 2008. Water levels were measured in more than 900 wells in New Jersey, eastern Pennsylvania, and northern Delaware and potentiometric surface maps prepared for the confined Cohansey aquifer of Cape May County, the Rio Grande water-bearing zone, the Atlantic City 800-foot sand, the Piney Point, Vincentown, and the Wenonah-Mount Laurel aquifers, the Englishtown aquifer system, and the Upper, Middle, and Lower aquifers of the Potomac-Raritan-Magothy aquifer system. In 2008, the highest water-level altitudes were observed in the Vincentown aquifer (median, 78 ft) and the lowest in the Atlantic City 800-foot sand (median, -45 ft). Persistent, regionally extensive cones of depression were present within the potentiometric surfaces of the Englishtown aquifer system in east-central New Jersey, the Wenonah-Mount Laurel aquifer in east-central and southern New Jersey, the Upper, Middle, and Lower Potomac-Raritan-Magothy aquifers in southern New Jersey, and the Atlantic City 800-foot sand in the southeastern part of the State. Cones of depression in the potentiometric surfaces of the Upper Potomac-Raritan-Magothy and the Piney Point aquifers in east-central and southwestern New Jersey had broadened and deepened since 2003.

  20. Studies of the viscoelastic properties of water confined between surfaces of specified chemical nature.

    Energy Technology Data Exchange (ETDEWEB)

    Houston, Jack E.; Grest, Gary Stephen; Moore, Nathan W.; Feibelman, Peter J.

    2010-09-01

    This report summarizes the work completed under the Laboratory Directed Research and Development (LDRD) project 10-0973 of the same title. Understanding the molecular origin of the no-slip boundary condition remains vitally important for understanding molecular transport in biological, environmental and energy-related processes, with broad technological implications. Moreover, the viscoelastic properties of fluids in nanoconfinement or near surfaces are not well-understood. We have critically reviewed progress in this area, evaluated key experimental and theoretical methods, and made unique and important discoveries addressing these and related scientific questions. Thematically, the discoveries include insight into the orientation of water molecules on metal surfaces, the premelting of ice, the nucleation of water and alcohol vapors between surface asperities and the lubricity of these molecules when confined inside nanopores, the influence of water nucleation on adhesion to salts and silicates, and the growth and superplasticity of NaCl nanowires.

  1. Structural and dynamic properties of confined water in nanometric model porous materials (8 A{<=}diameter{<=}40 A)

    Energy Technology Data Exchange (ETDEWEB)

    Floquet, N.; Coulomb, J.P.; Dufau, N.; Andre, G.; Kahn, R

    2004-07-15

    Structural and dynamic properties of confined water have been investigated by 'in situ' neutron-scattering experiments. In the medium confinement regime (for MCM-41 host materials: 20 A{<=}diameter{<=}40 A) confined water has rather similar properties to bulk (3d) water. The major difference concerns the solidification phase transition. Strong triple-point depression {delta}T{sub 3t} is observed and {delta}T{sub 3t} increases when decreasing the pore diameter (213 K{<=}{delta}T{sub 3t}{<=}233 K). Such a confined water behaves as a supercooled liquid phase. The ultra-confinement (AlPO{sub 4}-N zeolites: 8 A{<=}diameter{<=}12 A), is seen to induce the structuration of the confined water and its stability at room temperature T=300 K due to commensurability effect with the AlPO{sub 4}-5 inner surface. No wetting phenomena are observed for both host materials, the silicic MCM-41 samples and the AlPO{sub 4}-N zeolite family.

  2. Structural and dynamic properties of confined water in nanometric model porous materials (8 Å⩽∅⩽40 Å)

    Science.gov (United States)

    Floquet, N.; Coulomb, J. P.; Dufau, N.; Andre, G.; Kahn, R.

    2004-07-01

    Structural and dynamic properties of confined water have been investigated by ‘‘in situ’’ neutron-scattering experiments. In the medium confinement regime (for MCM-41 host materials: 20 Å⩽∅⩽40 Å) confined water has rather similar properties to bulk (3d) water. The major difference concerns the solidification phase transition. Strong triple-point depression Δ T3t is observed and Δ T3t increases when decreasing the pore diameter ∅ (213 K⩽Δ T3t⩽233 K). Such a confined water behaves as a supercooled liquid phase. The ultra-confinement (AlPO 4-N zeolites: 8 Å⩽∅⩽12 Å), is seen to induce the structuration of the confined water and its stability at room temperature T=300 K due to commensurability effect with the AlPO 4-5 inner surface. No wetting phenomena are observed for both host materials, the silicic MCM-41 samples and the AlPO 4-N zeolite family.

  3. Water levels in, extent of freshwater in, and water withdrawal from eight major confined aquifers, New Jersey Coastal Plain, 1993

    Science.gov (United States)

    Lacombe, Pierre J.; Rosman, Robert

    1997-01-01

    Water levels in 722 wells in the Coastal Plain of New Jersey, Pennsylvania, and northeastern Delaware were measured during October and November 1993 and were used to define the potentiometric surface of the eight major confined aquifers of the area. Isochlors (lines of equal chloride concentration) for 250 and 10,000 milligrams per liter are included to show the extent of freshwater in each of the aquifers. Estimated water withdrawals from the eight major confined aquifers are reported for 1978-94. Water-withdrawal and water-level maps including isochlors were constructed for the Cohansey aquifer of Cape May County, the Atlantic City 800-foot sand, the Piney Point aquifer, the Wenonah-Mount Laurel aquifer, the Englishtown aquifer system, the Upper Potomac-Raritan-Magothy, the Middle and undifferentiated Potomac-Raritan-Magothy, and the Lower Potomac-Raritan-Magothy aquifers. From 1988 to 1993, water levels near the center of the large cones of depression in the Middlesex-Monmouth County area rose as much as 120 ft in the Wenonah-Mount Laurel aquifer and Englishtown aquifer system, 40 ft in the Upper Potomac-Raritan-Magothy aquifer, and 96 ft in the Middle and undifferentiated Potomac-Raritan-Magothy aquifers. Large cones of depression in the potentiometric surface of aquifers of the Potomac-Raritan-Magothy aquifer system in the Burlington-Camden-Gloucester area remained at about the same altitude; that is, the potentiometric surface neither rose nor fell in the aquifers by more than 5 feet. In the same area, water levels in the Englishtown aquifer system were static, whereas the water levels in the Wenonah-Mount Laurel aquifer declined 5 to 20 feet, forming an expanded cone of depression. Water levels in the Cohansey, Atlantic City 800-foot sand, and Piney Point aquifers declined by 1 to 10 feet during 1988?93.

  4. Anisotropic dielectric relaxation of the water confined in nanotubes for terahertz spectroscopy studied by molecular dynamics simulations.

    Science.gov (United States)

    Qi, Wenpeng; Chen, Jige; Yang, Junwei; Lei, Xiaoling; Song, Bo; Fang, Haiping

    2013-07-03

    The dynamics and structure of the hydrogen-bond network in confined water are of importance in understanding biological and chemical processes. Recently, terahertz (THz) time domain spectroscopy was widely applied for studying the kinetics of molecules and the hydrogen-bond network in water. However, the characteristics of the THz spectroscopy varying with respect to the confinement and the mechanism underlying the variation are still unclear. Here, on the basis of molecular dynamics simulations, the relationship between the anisotropic dielectric relaxation and the structure of the water confined in a carbon nanotube (CNT) was investigated. The results show that there are two preferred hydrogen-bond orientations of the confined water in the nanotube: (1) parallel to the CNT axis and (2) perpendicular to the CNT axis, which are clearly different. Moreover, the response of the orientations to the increment of the CNT diameters is opposite, leading to the opposite variations of the dielectric relaxation times along the two directions. The anisotropy in the relaxation time can be presented by the anisotropic dielectric permittivity which is able to be observed through THz spectroscopy. The anormal behaviors above are attributed to the special structure of the water close to the nanotube wall due to the confinement and hydrophobicity of CNT. These studies contribute an important step in understanding the THz experiments of water in nanoscales, and designing a chamber for specific chemical and biological reactions by controlling the diameters and materials of the nanotube.

  5. Dynamics of metal nanodroplets; Dynamik metallischer Nanotroepfchen

    Energy Technology Data Exchange (ETDEWEB)

    Habenicht, Anja

    2007-11-12

    In this work flat metal nanostructures on inert substrates like glass, silicon or graphite have been illuminated by single intensive laser pulses with fluences above the melting threshold. The liquid structures produced in this way are far from their equilibrium shape and a dewetting process starts. On a timescale of a few nanoseconds, the liquid but still flat nanostructure transforms toward a sphere. During this deformation the center of mass moves upward, which can lead to detachment of droplets from the surface due to inertia. The velocity of the detaching nanodroplets is measured with a light barrier technique. The experiment shows that the velocity of the detached droplet is constant over a large range of laser energy densities. This supports the model of a dewetting driven process: The droplet gains surface energy by transforming toward a sphere which is then converted into kinetic energy. Loss mechanisms like excitation of droplet oscillations and dissipation due to viscous friction are discussed. With this model the escape velocity was predicted for nanostructures of different materials and forms, hence other material parameters like surface tension or density and has been confirmed experimentally. The droplets are landed on another surface. Two scenarios are found: There are spheres with a similar shape as the droplet or heavily deformed structures. These structures of splashing and rebounding are identical to the structures which can be observed in the macroscopic impact of liquids. The two scenarios can be explained by different temperatures of the droplets when reaching the substrate. (orig.)

  6. Confinement dependence of electro-catalysts for hydrogen evolution from water splitting

    Directory of Open Access Journals (Sweden)

    Mikaela Lindgren

    2014-02-01

    Full Text Available Density functional theory is utilized to articulate a particular generic deconstruction of the electrode/electro-catalyst assembly for the cathode process during water splitting. A computational model was designed to determine how alloying elements control the fraction of H2 released during zirconium oxidation by water relative to the amount of hydrogen picked up by the corroding alloy. This model is utilized to determine the efficiencies of transition metals decorated with hydroxide interfaces in facilitating the electro-catalytic hydrogen evolution reaction. A computational strategy is developed to select an electro-catalyst for hydrogen evolution (HE, where the choice of a transition metal catalyst is guided by the confining environment. The latter may be recast into a nominal pressure experienced by the evolving H2 molecule. We arrived at a novel perspective on the uniqueness of oxide supported atomic Pt as a HE catalyst under ambient conditions.

  7. Molecular dynamics simulations of ultrathin water film confined between flat diamond plates

    Directory of Open Access Journals (Sweden)

    A.V. Khomenko

    2008-12-01

    Full Text Available Molecular dynamics simulations of ultrathin water film confined between atomically flat rigid diamond plates are described. Films with thickness of one and two molecular diameters are concerned and TIP4P model is used for water molecules. Dynamical and equilibrium characteristics of the system for different values of the external load and shear force are investigated. An increase of the external load causes the transition of the film to a solidlike state. This is manifested in a decrease of the diffusion constant and in the ordering of the liquid molecules into quasidiscrete layers. For two-layer film under high loads, the molecules also become ordered parallel to the surfaces. Time dependencies of the friction force and the changes of its average value with the load are obtained. In general, the behaviour of the studied model is consistent with the experimental results obtained for simple liquids with spherical molecules.

  8. Hydrophobic and Ionic-Interactions in Bulk and Confined Water with Implications for Collapse and Folding of Proteins

    Science.gov (United States)

    Vaitheeswaran, S.; Chen, Jie; Thirumalai, D.

    2011-10-01

    Water and water-mediated interactions determine the thermodynamics and kinetics of protein folding, protein aggregation and self-assembly in confined spaces. To obtain insights into the role of water in the context of folding problems, we describe computer simulations of a few related model systems. The dynamics of collapse of eicosane shows that upon expulsion of water the linear hydrocarbon chain adopts an ordered helical hairpin structure with 1.5 turns. The structure of dimer of eicosane molecules has two well ordered helical hairpins that are stacked perpendicular to each other. As a prelude to studying folding in confined spaces we used simulations to understand changes in hydrophobic and ionic interactions in nano-sized water droplets. Solvation of hydrophobic and charged species change drastically in nano-scale water droplets. Hydrophobic species are localized at the boundary. The tendency of ions to be at the boundary where water density is low increases as the charge density decreases. The interactions between hydrophobic, polar, and charged residue are also profoundly altered in confined spaces. Using the results of computer simulations and accounting for loss of chain entropy upon confinement we argue and then demonstrate, using simulations in explicit water, that ordered states of generic amphiphilic peptide sequences should be stabilized in cylindrical nanopores.

  9. Effect of pressure on the anomalous response functions of a confined water monolayer at low temperature

    Science.gov (United States)

    Mazza, Marco G.; Stokely, Kevin; Stanley, H. Eugene; Franzese, Giancarlo

    2012-11-01

    We study a coarse-grained model for a water monolayer that cannot crystallize due to the presence of confining interfaces, such as protein powders or inorganic surfaces. Using both Monte Carlo simulations and mean field calculations, we calculate three response functions: the isobaric specific heat CP, the isothermal compressibility KT, and the isobaric thermal expansivity αP. At low temperature T, we find two distinct maxima in CP, KT, and |αP|, all converging toward a liquid-liquid critical point (LLCP) with increasing pressure P. We show that the maximum in CP at higher T is due to the fluctuations of hydrogen (H) bond formation and that the second maximum at lower T is due to the cooperativity among the H bonds. We discuss a similar effect in KT and |αP|. If this cooperativity were not taken into account, both the lower-T maximum and the LLCP would disappear. However, comparison with recent experiments on water hydrating protein powders provides evidence for the existence of the lower-T maximum, supporting the hypothesized LLCP at positive P and finite T. The model also predicts that when P moves closer to the critical P the CP maxima move closer in T until they merge at the LLCP. Considering that other scenarios for water are thermodynamically possible, we discuss how an experimental measurement of the changing separation in T between the two maxima of CP as P increases could determine the best scenario for describing water.

  10. Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water Wires.

    Science.gov (United States)

    Rossi, Mariana; Ceriotti, Michele; Manolopoulos, David E

    2016-08-04

    The diffusion of protons and hydroxide ions along water wires provides an efficient mechanism for charge transport that is exploited by biological membrane channels and shows promise for technological applications such as fuel cells. However, what is lacking for a better control and design of these systems is a thorough theoretical understanding of the diffusion process at the atomic scale. Here we focus on two aspects of this process that are often disregarded because of their high computational cost: the use of first-principles potential energy surfaces and the treatment of the nuclei as quantum particles. We consider proton and hydroxide ions in finite water wires using density functional theory augmented with an apolar cylindrical confining potential. We employ machine learning techniques to identify the charged species, thus obtaining an agnostic definition that takes explicitly into account the delocalization of the charge in the Grotthus-like mechanism. We include nuclear quantum effects (NQEs) through the thermostated ring polymer molecular dynamics method and model finite system size effects by considering Langevin dynamics on the potential of mean force of the charged species, allowing us to extract the same "universal" diffusion coefficient from simulations with different wire sizes. In the classical case, diffusion coefficients depend significantly on the potential energy surface, in particular on how dispersion forces modulate water-water distances. NQEs, however, make the diffusion less sensitive to the underlying potential and geometry of the wire.

  11. Electronic spectroscopy of aniline ions embedded in helium nanodroplets

    NARCIS (Netherlands)

    Brauer, N.B.; Smolarek, S.D.; Zhang, X.; Buma, W.J.; Drabbels, M.

    2011-01-01

    Excitation spectra of the Ã2A2←X̃2B1 and B̃2B1←X̃2B1 transitions of aniline cations embedded in helium nanodroplets are reported. The spectra are characterized by broad asymmetric resonances that consist of an intrinsically broadened zero-phonon line, which partially overlaps with the accompanying

  12. Impulsive Laser Induced Alignment of Molecules Dissolved in Helium Nanodroplets

    DEFF Research Database (Denmark)

    Pentlehner, Dominik; H. Nielsen, Jens; Slenczka, Alkwin

    2013-01-01

    We show that a 450 fs nonresonant, moderately intense, linearly polarized laser pulse can induce field-free molecular axis alignment of methyliodide (CH3I) molecules dissolved in a helium nanodroplet. Time-resolved measurements reveal rotational dynamics much slower than that of isolated molecule...

  13. The Role of the Primitive Relaxation in the Dynamics of Aqueous Mixtures, Nano-confined Water and Hydrated Proteins

    Science.gov (United States)

    2010-01-01

    phycocyanin (C-PC) [r093]. There is overall good agreement between τν determined by dielectric, NMR, Mössbauer spectroscopy, and neutron scattering... phycocyanin systems is the hydration water. According to our interpretation like in other non-aqueous and aqueous mixtures, and nano-confined water, the...Relaxation times from neutron scattering from hydration water in hydrated c- phycocyanin (C-PC) (black closed triangles) [r093]. For relaxation times

  14. Radiolysis of confined water: hydrogen production at a high dose rate.

    Science.gov (United States)

    Le Caër, Sophie; Rotureau, Patricia; Brunet, Francine; Charpentier, Thibault; Blain, Guillaume; Renault, Jean Philippe; Mialocq, Jean-Claude

    2005-12-09

    The production of molecular hydrogen in the radiolysis of dried or hydrated nanoporous controlled-pore glasses (CPG) has been carefully studied using 10 MeV electron irradiation at high dose rate. In all cases, the H2 yield increases when the pore size decreases. Moreover, the yields measured in dried materials are two orders of magnitude smaller than those obtained in hydrated glasses. This proves that the part of the H2 coming from the surface of the material is negligible in the hydrated case. Thus, the measured yields correspond to those of nanoconfined water. Moreover, these yields are not modified by the presence of potassium bromide, which is a hydroxyl radical scavenger. This experimental observation shows that the back reaction between H2 and HO* does not take place in such confined environments. These porous materials have been characterized before and after irradiation by means of Fourier-transform infrared (FT-IR) spectroscopy, electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) techniques, which helps to understand the elementary processes taking place in this type of environment, especially the protective effect of water on the surface in the case of hydrated glasses.

  15. The boson peak of deeply cooled confined water reveals the existence of a low-temperature liquid-liquid crossover

    Science.gov (United States)

    Cupane, Antonio; Fomina, Margarita; Schirò, Giorgio

    2014-11-01

    The Boson peak of deeply cooled water confined in the pores of a silica xerogel is studied by inelastic neutron scattering at different hydration levels to separate the contributions from matrix, water on the pore surfaces and "internal" water. Our results reveal that at high hydration level, where the contribution from internal water is dominant, the temperature dependence of the Boson peak intensity shows an inflection point at about 225 K. The complementary use of differential scanning calorimetry to describe the thermodynamics of the system allows identifying the inflection point as the signature of a water liquid-liquid crossover.

  16. Density and anomalous thermal expansion of deeply cooled water confined in mesoporous silica investigated by synchrotron X-ray diffraction.

    Science.gov (United States)

    Liu, Kao-Hsiang; Zhang, Yang; Lee, Jey-Jau; Chen, Chia-Cheng; Yeh, Yi-Qi; Chen, Sow-Hsin; Mou, Chung-Yuan

    2013-08-14

    A synchrotron X-ray diffraction method was used to measure the average density of water (H2O) confined in mesoporous silica materials MCM-41-S-15 and MCM-41-S-24. The average density versus temperature at atmospheric pressure of deeply cooled water is obtained by monitoring the intensity change of the MCM-41-S Bragg peaks, which is directly related to the scattering length density contrast between the silica matrix and the confined water. Within MCM-41-S-15, the pore size is small enough to prevent the crystallization at least down to 130 K. Besides the well-known density maximum at 277 K, a density minimum is observed at 200 K for the confined water, below which a regular thermal expansion behavior is restored. Within MCM-41-S-24 of larger pore size, water freezes at 220.5 K. The average water/ice density measurement in MCM-41-S-24 validated the diffraction method. The anomalous thermal expansion coefficient (αp) is calculated. The temperature at which the αp reaches maximum is found to be pore size independent, but the peak height of the αp maximum is linearly dependent on the pore size. The obtained data are critical to verify available theoretical and computational models of water.

  17. The effect of a confining unit on the geochemical evolution of ground water in the Upper Floridan aquifer system

    Science.gov (United States)

    Wicks, C.M.; Herman, J.S.

    1994-01-01

    In west-central Florida, sections of the Upper Floridan aquifer system range in character from confined to leaky to unconfined. The confining unit is the Hawthorn Formation, a clay-rich sequence. The presence or absence of the Hawthorn Formation affects the geochemical evolution of the ground water in the Upper Floridan aquifer system. Mass-balance and mass-transfer models suggest that, in unconfined areas, the geochemical reactions are dolomite dissolution, ion exchange (Mg for Na, K), sulfate reduction, calcite dissolution, and CO2 exchange. In the areas in which the Hawthorn Formation is leaky, the evolution of the ground water is accounted for by ion exchange, sulfate reduction, calcite dissolution, and CO2 exchange. In the confined areas, no ion exchange and only limited sulfate reduction occur, and the chemical character of the ground water is consistent with dolomite and gypsum dissolution, calcite precipitation, and CO2 ingassing. The Hawthorn Formation acts both as a physical barrier to the transport of CO2 and organic matter and as a source of ion-exchange sites, but the carbonate-mineral reactions are largely unaffected by the extent of confinement of the Upper Floridan aquifer. ?? 1994.

  18. Quantum interferences in the photodissociation of Cl2(B) in superfluid helium nanodroplets ((4)He)N.

    Science.gov (United States)

    Vilà, Arnau; González, Miguel; Mayol, Ricardo

    2015-12-28

    Quantum interferences are probably one of the most fascinating phenomena in chemical physics and, particularly, in reaction dynamics, where they are often very elusive from an experimental perspective. Here, we have theoretically investigated, using a hybrid method recently proposed by us, the dynamics of the formation of confinement quantum interferences in the photodissociation of a Cl2 molecule (B ← X electronic excitation) embedded in a superfluid helium nanodroplet of different sizes (50-500 (4)He atoms), which is to the best of our knowledge the first time that this type of interference is described in reaction dynamics. Thus, we have widely extended a recent contribution of our group, where interferences were not the main target, identifying the way they are formed and lead to the production of strongly oscillating velocity distributions in the Cl dissociating atoms, and also paying attention to the energy transfer processes involved. This probably corresponds to a rather general behavior in the photodissociation of molecules in helium nanodroplets. We hope that the present study will encourage the experimentalists to investigate this captivating phenomenon, although the technical difficulties involved are very high.

  19. Confined Water in Layered Silicates: The Origin of Anomalous Thermal Expansion Behavior in Calcium-Silicate-Hydrates.

    Science.gov (United States)

    Krishnan, N M Anoop; Wang, Bu; Falzone, Gabriel; Le Pape, Yann; Neithalath, Narayanan; Pilon, Laurent; Bauchy, Mathieu; Sant, Gaurav

    2016-12-28

    Water, under conditions of nanoscale confinement, exhibits anomalous dynamics, and enhanced thermal deformations, which may be further enhanced when such water is in contact with hydrophilic surfaces. Such heightened thermal deformations of water could control the volume stability of hydrated materials containing nanoconfined structural water. Understanding and predicting the thermal deformation coefficient (TDC, often referred to as the CTE, coefficient of thermal expansion), which represents volume changes induced in materials under conditions of changing temperature, is of critical importance for hydrated solids including: hydrogels, biological tissues, and calcium silicate hydrates, as changes in their volume can result in stress development, and cracking. By pioneering atomistic simulations, we examine the physical origin of thermal expansion in calcium-silicate-hydrates (C-S-H), the binding agent in concrete that is formed by the reaction of cement with water. We report that the TDC of C-S-H shows a sudden increase when the CaO/SiO2 (molar ratio; abbreviated as Ca/Si) exceeds 1.5. This anomalous behavior arises from a notable increase in the confinement of water contained in the C-S-H's nanostructure. We identify that confinement is dictated by the topology of the C-S-H's atomic network. Taken together, the results suggest that thermal deformations of hydrated silicates can be altered by inducing compositional changes, which in turn alter the atomic topology and the resultant volume stability of the solids.

  20. Nanoscale gutter hydrodynamics: asymmetric vanishing lifetime of identical twin nanodroplets

    Science.gov (United States)

    Tiwari, Dhirendra; Dijkstra, Marcel; Eijkel, Jan; Gardeniers, Han; Mercury, Lionel; Tas, Niels; Vanapalli, Srinivas

    2015-11-01

    We study the capillary behavior of wetting liquids in the context of receding liquid fronts capped with an unsaturated zone (UZ) in a model 2D-porous media and report on the removal of liquid from an array of square nanodroplets inter-connected through nanoscopic-gutters. At the tip of the array a quasi 2D pinch-off generates identical twin nanodroplets marked by the singularity in local liquid pressure. The temporal violation of Lord Kelvin's equation kicks off the hydraulic conduction among nearest-neighbor droplets. A simple exponential decay/growth fluidic model incorporating constant evaporation rate validates the experimentally observed asymmetric vanishing life-time of the identical twin-droplets. Overall, this work illustrates the critical role of capillarity, wetting and geometry in setting up a unique scenario of ubiquitous competition among evaporation vs hydrodynamic conduction at meso-scale. The evaporating array of nanodroplets visualizes the tip of dynamic local vapor pressure gradient and captures the details of transport at an unprecedented size scale. DT acknowledges financial support from ISTO CNRS Orleans France and NWO The Netherlands.

  1. The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces

    KAUST Repository

    Liu, Hongyi

    2012-02-09

    The goal of this work was to use molecular dynamics (MD) simulations to build amorphous surface layers of polypropylene (PP) and cellulose and to inspect their physical and interfacial properties. A new method to produce molecular models for these surfaces was developed, which involved the use of a "soft" confining layer comprised of a xenon crystal. This method compacts the polymers into a density distribution and a degree of molecular surface roughness that corresponds well to experimental values. In addition, calculated properties such as density, cohesive energy density, coefficient of thermal expansion, and the surface energy agree with experimental values and thus validate the use of soft confining layers. The method can be applied to polymers with a linear backbone such as PP as well as those whose backbones contain rings, such as cellulose. The developed PP and cellulose surfaces were characterized by their interactions with water. It was found that a water nanodroplet spreads on the amorphous cellulose surfaces, but there was no significant change in the dimension of the droplet on the PP surface; the resulting MD water contact angles on PP and amorphous cellulose surfaces were determined to be 106 and 33°, respectively. © 2012 American Chemical Society.

  2. A neutron spin echo study of low-temperature water confined in the spherical silica pores of SBA-16.

    Science.gov (United States)

    Kittaka, Shigeharu; Yoshida, Koji; Yamaguchi, Toshio; Bellissent Funel, M-C; Fouquet, Peter

    2017-04-19

    The dynamic properties of heavy water (D2O) and light water (H2O) confined in porous silica SBA-16 were studied over a temperature range of 210-290 K by neutron spin echo measurements. SBA-16 has predominant spherical pores (7.1 nm in pore size), channels interconnecting the spherical pores, and micropores (corona). The coherent intermediate scattering function on D2O filled SBA-16 showed the rotational dynamics of confined water without significant translational motion over the temperature range measured. This finding is due probably to collective entities of water due to cooperativity of hydrogen-bonds among water molecules in SBA-16 pores. The relaxation time of the collective entities followed the Vogel-Fulcher-Tammann relation at temperatures down to the freezing temperature of 235 K, suggesting a behavior of fragile water in the spherical pore. A comparison with previous NSE measurements of D2O in MCM-41 showed that the collective entities of water in the SBA-16 spherical pores have higher rotational mobility than those in the MCM-41 cylindrical pores. On the other hand, the incoherent intermediate scattering function on H2O filled SBA-16 revealed the translational motion of individual water molecules in the collective entities. It has been found that water in micropores is not frozen and is mobile down to 210 K from data of both D2O and H2O in SBA-16. Phase changes of various water confined in SBA-16 with decreasing and increasing temperatures are discussed based on the obtained dynamic properties.

  3. The Quantum Mechanics of Nano-Confined Water: New Cooperative Effects Revealed with Neutron and X-Ray Compton Scattering

    Science.gov (United States)

    Reiter, G. F.; Deb, Aniruddha

    2014-12-01

    Neutron Compton scattering(NCS) measurements of the momentum distribution of light ions using the Vesuvio instrument at ISIS provide a sensitive local probe of the environment of those ions. NCS measurements of the proton momentum distribution in bulk water show only small deviations from the usual picture of water as a collection of molecules, with the protons covalently bonded to an oxygen and interacting weakly, primarily electrostatically, with nearby molecules. However, a series of measurements of the proton momentum distribution in carbon nanotubes, xerogel, and Nafion show that the proton delocalizes over distances of 0.2-0.3Å when water is confined on the scale of 20Å. This delocalization must be the result of changes in the Born-Oppenheimer surface for the protons, which would imply that there are large deviations in the electron distribution from that of a collection of weakly interacting molecules. This has been observed at Spring-8 using x-ray Compton scattering. The observed deviation in the valence electron momentum distribution from that of bulk water is more than an order of magnitude larger than the change observed in bulk water as the water is heated from just above melting to just below boiling. We conclude that the protons and electrons in nano-confined water are in a qualitatively different ground state from that of bulk water. Since the properties of this state persist at room temperature, and the confinement distance necessary to observe it is comparable to the distance between the elements of biological cells, this state presumably plays a role in the functioning of those cells.

  4. Artificial Injection of Fresh Water into a Confined Saline Aquifer: A Case Study at the Nakdong River Delta Area, Korea

    Science.gov (United States)

    Chung, S. Y.; Senapathi, V.; Rajendran, R.; Khakimov, E.

    2015-12-01

    Injection test in a confined saline aquifer was performed to assess the potential of artificial recharge as a means of replacing saline water with fresh water, thereby securing fresh groundwater resources for the Nakdong Delta area of Busan City, Korea. The study area comprises a confined aquifer, in which a 10~21m thick clay layer overlies 31.5~36.5 m thick of sand and a 2.8~11m thick layer of gravel. EC logging of five monitoring wells yielded a value of 7~44 mS/cm, with the transition between saline and fresh water occurring at a depth of 15-38 m. Above 5 m depth, water temperature was 10~15.5°C, whereas between 5 and 50 m depth, the temperature was 15.5~17℃ and pH was 7.15~7.49. The quality of injected fresh water was 388 μS/cm with the temperature of 6.2℃, and pH was 7.70. Approximately 950 m3 of fresh water was injected into the OW-5 injection well at a rate of 370 m3/day for 62 hours, after which the fresh water zone was detected by a CTD Diver installed at a depth of 40 m. The persistence of the fresh water zone was determined via EC and temperature logging at 1 day, 21 days, 62days and 95 days after injection. The contact between fresh and saline water in the injection well was represented by a sharp boundary rather than a transitional boundary. It was concluded that the injected fresh water occupied a specific space and served to maintain the original water quality throughout the observation period. Moreover, we suggest that artificial recharge via long-term injection could help secure a new alternative water resource in this saline coastal aquifer.

  5. Finding confined water in the hexagonal phase of Bi0.05Eu0.05Y0 ...

    Indian Academy of Sciences (India)

    Abstract. 1H MAS NMR spectra of Bi0.05Eu0.05Y0.90PO4·xH2O show chemical shift from. −0.56 ppm at 300 K to −3.8 ppm at 215 K and another one at 5–6 ppm, which are related to the confined or interstitial water in the hexagonal structure and water molecules on the surface of the particles, respectively. Negative value of ...

  6. Water confined to a slab geometry : a review of recent computer simulation studies

    NARCIS (Netherlands)

    Zangi, Ronen

    2004-01-01

    The dimensionality of a system largely determines the nature of any long range order that is possible in the solid phase. For this reason considerable effort has been directed towards elucidating the behaviour of materials under confinement and at interfaces. This has ranged from theoretical studies

  7. Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis.

    Science.gov (United States)

    Qi, Wenpeng; Zhao, Hongwei

    2015-09-21

    The water confined in nanotubes has been extensively studied, because of the potential usages in drug delivery and desalination. The radial distribution of the dielectric constant parallel along the nanotube axis was obtained by molecular dynamics simulations in a carbon nanotube and a nanotube with a very small van der Waals potential. The confined water was divided into two parts, the middle part water and the hydration water. In both cases, the hydrogen bond orientation of the middle water is isotropic, while the hydrogen bonds in hydration layers are apt to parallel along the nanotube axis. Therefore, the hydration water has higher dipole correlations increasing the dielectric constant along the nanotube axis.

  8. Transport of lipid nano-droplets through MDCK epithelial cell monolayer.

    Science.gov (United States)

    Khatri, Pulkit; Shao, Jun

    2017-05-01

    This study aims to investigate the transport of lipid nano-droplets through MDCK epithelial cell monolayer. Nanoemulsions of self-nano-emulsifying drug delivery systems (SNEDDS) labeled with radioactive C18 triglyceride were developed. The effect of droplet size and lipid composition on the transport was investigated. The results showed that the lipid nano-droplet transport through MDCK cell monolayer was as high as 2.5%. The transport of lipid nano-droplets was higher for nanoemulsions of medium chain glycerides than the long chain glycerides. The transport was reduced by more than half when the average lipid nano-droplet size increased from 38nm to 261nm. The droplet size measurement verified the existence of lipid nano-droplets in the receiver chamber only when the nanoemulsions were added to the donor chamber but not when the surfactant or saline solution was added. Cryo-TEM images confirmed the presence of lipid nano-droplets in both donor and receiver chamber at the end of transport study. In conclusion, lipid nano-droplets can be transported through the cell monolayer. This finding may help to further explore the oral and other non-invasive delivery of macromolecules loaded inside SNEDDS. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Porphyrin Nanodroplets: Sub-micrometer Ultrasound and Photoacoustic Contrast Imaging Agents.

    Science.gov (United States)

    Paproski, Robert J; Forbrich, Alexander; Huynh, Elizabeth; Chen, Juan; Lewis, John D; Zheng, Gang; Zemp, Roger J

    2016-01-20

    A novel class of all-organic nanoscale porphyrin nanodroplet agents is presented which is suitable for multimodality ultrasound and photoacoustic molecular imaging. Previous multimodality photoacoustic-ultrasound agents are either not organic, or not yet demonstrated to exhibit enhanced accumulation in leaky tumor vasculature, perhaps because of large diameters. In the current study, porphyrin nanodroplets are created with a mean diameter of 185 nm which is small enough to exhibit the enhanced permeability and retention effect. Porphyrin within the nanodroplet shell has strong optical absorption at 705 nm with an estimated molar extinction coefficient >5 × 10(9) m(-1) cm(-1) , allowing both ultrasound and photoacoustic contrast in the same nanoparticle using all organic materials. The potential of nanodroplets is that they may be phase-changed into microbubbles using high pressure ultrasound, providing ultrasound contrast with single-bubble sensitivity. Multispectral photoacoustic imaging allows visualization of nanodroplets when injected intratumorally in an HT1080 tumor in the chorioallantoic membrane of a chicken embryo. Intravital microscopy imaging of Hep3-GFP and HT1080-GFP tumors in chicken embryos determines that nanodroplets accumulated throughout or at the periphery of tumors, suggesting that porphyrin nanodroplets may be useful for enhancing the visualization of tumors with ultrasound and/or photoacoustic imaging. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Graphene oxide-based efficient and scalable solar desalination under one sun with a confined 2D water path.

    Science.gov (United States)

    Li, Xiuqiang; Xu, Weichao; Tang, Mingyao; Zhou, Lin; Zhu, Bin; Zhu, Shining; Zhu, Jia

    2016-12-06

    Because it is able to produce desalinated water directly using solar energy with minimum carbon footprint, solar steam generation and desalination is considered one of the most important technologies to address the increasingly pressing global water scarcity. Despite tremendous progress in the past few years, efficient solar steam generation and desalination can only be achieved for rather limited water quantity with the assistance of concentrators and thermal insulation, not feasible for large-scale applications. The fundamental paradox is that the conventional design of direct absorber-bulk water contact ensures efficient energy transfer and water supply but also has intrinsic thermal loss through bulk water. Here, enabled by a confined 2D water path, we report an efficient (80% under one-sun illumination) and effective (four orders salinity decrement) solar desalination device. More strikingly, because of minimized heat loss, high efficiency of solar desalination is independent of the water quantity and can be maintained without thermal insulation of the container. A foldable graphene oxide film, fabricated by a scalable process, serves as efficient solar absorbers (>94%), vapor channels, and thermal insulators. With unique structure designs fabricated by scalable processes and high and stable efficiency achieved under normal solar illumination independent of water quantity without any supporting systems, our device represents a concrete step for solar desalination to emerge as a complementary portable and personalized clean water solution.

  11. Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study

    KAUST Repository

    Pan, Heng

    2014-03-14

    Seeded crystallization and solidification in nanoscale confinement volumes have become an important and complex topic. Due to the complexity and limitations in observing nanoscale crystallization, computer simulation can provide valuable details for supporting and interpreting experimental observations. In this article, seeded crystallization from nano-confined liquid, as represented by the crystallization of a suspended gold nano-droplet seeded by a pre-existing gold nanocrystal seed, was investigated using molecular dynamics simulations in canonical (NVT) ensemble. We found that the crystallization temperature depends on nano-confinement volume, crystal orientation, and seed size as explained by classical two-sphere model and Gibbs-Thomson effect. © 2014 AIP Publishing LLC.

  12. Formulation design, preparation and characterization of multifunctional alginate stabilized nanodroplets.

    Science.gov (United States)

    Baghbani, Fatemeh; Moztarzadeh, Fathollah; Mohandesi, Jamshid Aghazadeh; Yazdian, Fatemeh; Mokhtari-Dizaji, Manijhe; Hamedi, Sepideh

    2016-08-01

    In the present study the effect of process (homogenization speed) and formulation (polymer-alginate-concentration, surfactant concentration, drug amount, perfluorohexane volume fraction and co-surfactant inclusion) variables on particle size, entrapment efficiency, and drug release kinetics of doxorubicin-loaded alginate stabilized perfluorohexane nanodroplets were evaluated. Particle size and doxorubicin entrapment efficiency were highly affected by formulation and process variables. Increase in homogenization speed resulted in significant decrease in particle size and increase in entrapment efficiency. Polymer concentration and perfluorohexane amount both had similar effect on particle size. Particle size increased by an increase in the amount of both. Entrapment efficiency increased by increasing polymer concentration. In case of surfactant concentration and drug amount, particle size and entrapment efficiency had optimum values and an increase in concentration of both of them behind a certain limit resulted in increase in particle size and decrease in doxorubicin entrapment. In vitro release profile of doxorubicin was an apparently biphasic release process and 7%-13% of drug released after 24h incubation in PBS, pH=7.4, depending on the nanodroplets composition but ultrasound exposure for 10min resulted in triggered release of 85.95% of doxorubicin from optimal formulation (formulation E1 with 39.2nm diameter size and 92.2% entrapment efficiency). Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Water-Level Conditions in Selected Confined Aquifers of the New Jersey and Delaware Coastal Plain, 2003

    Science.gov (United States)

    dePaul, Vincent T.; Rosman, Robert; Lacombe, Pierre J.

    2009-01-01

    The Coastal Plain aquifers of New Jersey provide an important source of water for more than 2 million people. Steadily increasing withdrawals from the late 1800s to the early 1990s resulted in declining water levels and the formation of regional cones of depression. In addition to decreasing water supplies, declining water levels in the confined aquifers have led to reversals in natural hydraulic gradients that have, in some areas, induced the flow of saline water from surface-water bodies and adjacent aquifers to freshwater aquifers. In 1978, the U.S. Geological Survey began mapping the potentiometric surfaces of the major confined aquifers of New Jersey every 5 years in order to provide a regional assessment of ground-water conditions in multiple Coastal Plain aquifers concurrently. In 1988, mapping of selected potentiometric surfaces was extended into Delaware. During the fall of 2003, water levels measured in 967 wells in New Jersey, Pennsylvania, northeastern Delaware, and northwestern Maryland were used estimate the potentiometric surface of the principal confined aquifers in the Coastal Plain of New Jersey and five equivalent aquifers in Delaware. Potentiometric-surface maps and hydrogeologic sections were prepared for the confined Cohansey aquifer of Cape May County, the Rio Grande water-bearing zone, the Atlantic City 800-foot sand, the Vincentown aquifer, and the Englishtown aquifer system in New Jersey, as well as for the Piney Point aquifer, the Wenonah-Mount Laurel aquifer, and the Upper Potomac-Raritan-Magothy, the Middle and undifferentiated Potomac-Raritan-Magothy, and the Lower Potomac-Raritan-Magothy aquifers in New Jersey and their equivalents in Delaware. From 1998 to 2003, water levels in many Coastal Plain aquifers in New Jersey remained stable or had recovered, but in some areas, water levels continued to decline as a result of pumping. In the Cohansey aquifer in Cape May County, water levels near the center of the cone of depression

  14. The fast dynamics of cavitation bubbles within water confined in elastic solids.

    Science.gov (United States)

    Vincent, Olivier; Marmottant, Philippe; Gonzalez-Avila, S Roberto; Ando, Keita; Ohl, Claus-Dieter

    2014-03-14

    Many applications such as ultrasonic cleaning or sonochemistry use the ability of bubbles to oscillate and drive liquid flow. But bubbles have also received attention in porous media, where drying may cause cavitation, a phenomenon occurring in plant tissues. Here we explore the dynamics of cavitation bubbles when the liquid is fully entrapped in an elastic solid, using light scattering, laser strobe photography and high speed camera recordings. Our experiments show unexpectedly fast bubble oscillations in volume. They depend on the confinement size and elasticity, which we explain with a simple model where liquid compressibility is a key parameter. We also observe rich non-spherical dynamics, with ejection away from the walls and bubble fragmentation, which reveal extreme fluid motion at short timescales.

  15. Transport properties of water molecules confined between hydroxyapaptite surfaces: A Molecular dynamics simulation approach

    Science.gov (United States)

    Prakash, Muthuramalingam; Lemaire, Thibault; Di Tommaso, Devis; de Leeuw, Nora; Lewerenz, Marius; Caruel, Matthieu; Naili, Salah

    2017-10-01

    Water diffusion in the vicinity of hydroxyapatite (HAP) crystals is a key issue to describe biomineralization process. In this study, a configuration of parallel HAP platelets mimicking bone nanopores is proposed to characterize the nanoscopic transport properties of water molecules at HAP-water surface and interfaces using various potential models such as combination of the Core-Shell (CS) model, Lennard-Jones (LJ) potentials with SPC or SPC/E water models. When comparing all these potentials models, it appears that the core-shell potential for HAP together with the SPC/E water model more accurately predicts the diffusion properties of water near HAP surface. Moreover, we have been able to put into relief the possibility of observing hydroxyl (OH-) ion dissociation that modifies the water structure near the HAP surface.

  16. Accurate calculation of conformational free energy differences in explicit water: the confinement-solvation free energy approach.

    Science.gov (United States)

    Esque, Jeremy; Cecchini, Marco

    2015-04-23

    The calculation of the free energy of conformation is key to understanding the function of biomolecules and has attracted significant interest in recent years. Here, we present an improvement of the confinement method that was designed for use in the context of explicit solvent MD simulations. The development involves an additional step in which the solvation free energy of the harmonically restrained conformers is accurately determined by multistage free energy perturbation simulations. As a test-case application, the newly introduced confinement/solvation free energy (CSF) approach was used to compute differences in free energy between conformers of the alanine dipeptide in explicit water. The results are in excellent agreement with reference calculations based on both converged molecular dynamics and umbrella sampling. To illustrate the general applicability of the method, conformational equilibria of met-enkephalin (5 aa) and deca-alanine (10 aa) in solution were also analyzed. In both cases, smoothly converged free-energy results were obtained in agreement with equilibrium sampling or literature calculations. These results demonstrate that the CSF method may provide conformational free-energy differences of biomolecules with small statistical errors (below 0.5 kcal/mol) and at a moderate computational cost even with a full representation of the solvent.

  17. The hydrophobic effect: Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces

    DEFF Research Database (Denmark)

    Jensen, Morten Østergaard; Mouritsen, Ole G.; Peters, Günther H.J.

    2004-01-01

    -correlation functions reveal that water molecules have characteristic diffusive behavior and orientational ordering due to the lack of hydrogen bonding interactions with the surface. These observations suggest that the altered dynamical properties of water in contact with extended hydrophobic surfaces together...... experimental data from x-ray reflectivity measurements, reveal a uniform weak de-wetting characteristic for the extended hydrophobic surface, while the hydrophilic surface is weakly wetted. These microscopic data are consistent with macroscopic contact angle measurements. Specific water orientation is present...... at both surfaces. The ordering is characteristically different between the surfaces and of longer range at the hydrophilic surface. Furthermore, the dynamic properties of water are different at the two surfaces and different from the bulk behavior. In particular, at the hydrophobic surface, time...

  18. The rose petal effect and the role of advancing water contact angles for drop confinement

    DEFF Research Database (Denmark)

    Mandsberg, Nikolaj Kofoed; Taboryski, Rafael J.

    2017-01-01

    superimposed with randomly distributed nanospikes and were coated with a hydrophobic fluorocarbon agent. A step in the advancing water contact angle bounding specific areas was obtained by engineering a corresponding topographic step in the hexagonal micro-texture. This enabled a surface texture design......We studied the role of advancing water contact angles on superhydrophobic surfaces that exhibited strong pinning effects as known in nature from rose petals. Textured surfaces were engineered in silicon by lithographical techniques. The textures were comprised of hexagonal microstructures...

  19. Density profile of water confined in cylindrical pores in MCM-41 silica

    OpenAIRE

    Soper, Alan K.

    2011-01-01

    It is shown that traditional estimates of the pore diameter in the porous silica material MCM-41-S15 (of order 15\\AA) are too small to allow the amount of water that is absorbed by these materials (around 0.5gH2O/g substrate) to occur only inside the pore. Either the additional water is absorbed on the surface of the silica particles and outside the pores, or else the pores are larger than the traditional estimates. In addition the low Q Bragg intensities from a sample of MCM-41-S15 porous si...

  20. Structure and Dynamics of Confined Water and CO2 in Clays under Supercritical Conditions

    Science.gov (United States)

    Glezakou, V.; Lee, M.; Schaef, T.; Loring, J.; Davidson, C.; McGrail, P.

    2013-12-01

    Carbon dioxide (CO2) driven enhanced gas recovery (EGR) from depleted fractured shale gas reservoirs has the potential for producing economic benefits and providing long term storage options for anthropogenic derived CO2 emissions. However key scientific processes related to CO2:CH4 exchange rates, mineral volume changes, organic mobility, and mineral stability in the presence of acid gas injections are not well understood. In this paper, we conduct atomistic simulations to examine interactions occurring between model clay minerals and supercritical CO2 equilibrated with water or brines to identify parameters controlling adsorption and desorption of gases. Integrated within these simulations are results derived from a set of newly developed experimental techniques designed to characterize physico-chemical reactions at reservoir conditions. In a series of cell optimizations under pressures relevant to sequestration scenarios, molecular simulations within the NVT and NPT ensembles with varying water/CO2 ratios showed a range of interlayer expansion for specific cation-saturated smectites. In conjunction with experimental in situ high pressure x-ray diffraction (HXRD), semi-quantitative concentrations of interlayer H2O and CO2 were established. For example, Ca saturated smectites maintaining sub-single to single hydration states (waters during CO2 intercalation coincident with a decrease in the coordination population around the cations. Power spectra reveal rotationally constrained CO2 molecules over the silica layer of the Ca-smectite surface due to the formation of a two dimensional supercritical CO2 network at lower pressures, expanding to three-dimensions as the water content increases. Diffusion coefficients of the interlayer species determined from the molecular trajectories show dependence on the presence of CO2 and hydration state. In agreement with modeling studies, direct observations of volume changes were observed during in situ HXRD experiments when

  1. Neutron diffraction reveals the existence of confined water in triangular and hexagonal channels of modified YPO4 at elevated temperatures

    Science.gov (United States)

    Mishra, S. K.; Ningthoujam, R. S.; Mittal, R.; Vatsa, R. K.; Zbiri, M.; Sharma, K. Shitaljit; Singh, B. P.; Sastry, P. U.; Hansen, T.; Schober, H.; Chaplot, S. L.

    2017-09-01

    We provide experimental evidence for confinement of water molecules in the pores of hexagonal structure of YPO4 at elevated temperatures up to 600 K using powder neutron diffraction. In order to avoid the large incoherent scattering from the hydrogen, deuterated samples of doped YPO4:Ce-Eu were used for diffraction measurements. The presence of water molecules in the triangular and hexagonal pores in the hexagonal structure was established by detailed simulation of the diffraction pattern and Rietveld refinement of the experimental data. It was observed that the presence of water leads specifically to suppression of the intensity of a peak around Q = 1.04 Å-1 while the intensity of peaks around Q = 1.83 Å-1 is enhanced in the neutron-diffraction pattern. We estimate the number of water molecules as 2.36 (6) per formula units at 300 K and the sizes of the hexagonal and triangular pores as 7.2 (1) and 4.5 (1) Å, respectively. With an increase in temperature, the water content in both pores decreases above 450 K and vanishes around 600 K. Analysis of the powder-diffraction data reveals that the hexagonal structure with the pores persist up to 1273 K, and transforms to another structure at 1323 K. The high-temperature phase is not found to have the zircon- or monazite-type structure, but a monoclinic structure (space group P 2 /m ) with lattice parameters am= 6.826 (4 ) Å ,bm= 6.645 (4 ) Å ,cm= 10.435 (9 ) Å , and β = 107.21 (6) ∘ . The monoclinic structure has about 14% smaller volume than the hexagonal structure which essentially reflects the collapse of the pores. The phase transition and the change in the volume are also confirmed by x-ray-diffraction measurements. The hexagonal-to-monoclinic phase transition is found to be irreversible on cooling to room temperature.

  2. Spectroscopy of lithium atoms and molecules on helium nanodroplets.

    Science.gov (United States)

    Lackner, Florian; Poms, Johannes; Krois, Günter; Pototschnig, Johann V; Ernst, Wolfgang E

    2013-11-21

    We report on the spectroscopic investigation of lithium atoms and lithium dimers in their triplet manifold on the surface of helium nanodroplets (He(N)). We present the excitation spectrum of the 3p ← 2s and 3d ← 2s two-photon transitions for single Li atoms on He(N). The atoms are excited from the 2S(Σ) ground state into Δ, Π, and Σ pseudodiatomic molecular substates. Excitation spectra are recorded by resonance enhanced multiphoton ionization time-of-flight (REMPI-TOF) mass spectroscopy, which allows an investigation of the exciplex (Li*–He(m), m = 1–3) formation process in the Li–He(N) system. Electronic states are shifted and broadened with respect to free atom states, which is explained within the pseudodiatomic model. The assignment is assisted by theoretical calculations, which are based on the Orsay–Trento density functional where the interaction between the helium droplet and the lithium atom is introduced by a pairwise additive approach. When a droplet is doped with more than one alkali atom, the fragility of the alkali–He(N) systems leads preferably to the formation of high-spin molecules on the droplets. We use this property of helium nanodroplets for the preparation of Li dimers in their triplet ground state (13Σu(+)). The excitation spectrum of the 23Πg(ν′ = 0–11) ← 13Σu(+)(ν″ = 0) transition is presented. The interaction between the molecule and the droplet manifests in a broadening of the transitions with a characteristic asymmetric form. The broadening extends to the blue side of each vibronic level, which is caused by the simultaneous excitation of the molecule and vibrations of the droplet (phonons). The two isotopes of Li form 6Li2 and 7Li2 as well as isotope mixed 6Li7Li molecules on the droplet surface. By using REMPI-TOF mass spectroscopy, isotope-dependent effects could be studied.

  3. Biomedical photoacoustics beyond thermal expansion using triggered nanodroplet vaporization for contrast-enhanced imaging.

    Science.gov (United States)

    Wilson, Katheryne; Homan, Kimberly; Emelianov, Stanislav

    2012-01-10

    Since being discovered by Alexander Bell, photoacoustics may again be seeing major resurgence in biomedical imaging. Photoacoustics is a non-ionizing, functional imaging modality capable of high contrast images of optical absorption at depths significantly greater than traditional optical imaging techniques. Optical contrast agents have been used to extend photoacoustics to molecular imaging. Here we introduce an exogenous contrast agent that utilizes vaporization for photoacoustic signal generation, providing significantly higher signal amplitude than that from the traditionally used mechanism, thermal expansion. Our agent consists of liquid perfluorocarbon nanodroplets with encapsulated plasmonic nanoparticles, entitled photoacoustic nanodroplets. Upon pulsed laser irradiation, liquid perfluorocarbon undergoes a liquid-to-gas phase transition generating giant photoacoustic transients from these dwarf nanoparticles. Once triggered, the gaseous phase provides ultrasound contrast enhancement. We demonstrate in phantom and animal studies that photoacoustic nanodroplets act as dual-contrast agents for both photoacoustic and ultrasound imaging through optically triggered vaporization.

  4. Plasma confinement

    CERN Document Server

    Hazeltine, R D

    2003-01-01

    Detailed and authoritative, this volume examines the essential physics underlying international research in magnetic confinement fusion. It offers readable, thorough accounts of the fundamental concepts behind methods of confining plasma at or near thermonuclear conditions. Designed for a one- or two-semester graduate-level course in plasma physics, it also represents a valuable reference for professional physicists in controlled fusion and related disciplines.

  5. Interfacial structures of confined air-water two-phase bubbly flow

    Energy Technology Data Exchange (ETDEWEB)

    Kim, S.; Ishii, M.; Wu, Q.; McCreary, D.; Beus, S.G.

    2000-08-01

    The interfacial structure of the two-phase flows is of great importance in view of theoretical modeling and practical applications. In the present study, the focus is made on obtaining detailed local two-phase parameters in the air-water bubbly flow in a rectangular vertical duct using the double-sensor conductivity probe. The characteristic wall-peak is observed in the profiles of the interracial area concentration and the void fraction. The development of the interfacial area concentration along the axial direction of the flow is studied in view of the interfacial area transport and bubble interactions. The experimental data is compared with the drift flux model with C{sub 0} = 1.35.

  6. The role of positive and negative pressure on cavitation nucleation in nanodroplet-mediated histotripsy.

    Science.gov (United States)

    Vlaisavljevich, Eli; Aydin, Omer; Lin, Kuang-Wei; Durmaz, Yasemin Yuksel; Fowlkes, Brian; ElSayed, Mohamed; Xu, Zhen

    2016-01-21

    Nanodroplet-mediated histotripsy (NMH) is an ultrasound ablation technique combining histotripsy with acoustically sensitive perfluorocarbon (PFC) nanodroplets that can be selectively delivered to tumor cells for targeted tumor ablation. NMH takes advantage of the significantly reduced cavitation threshold of the nanodroplets, allowing for cavitation to be selectively generated only in regions containing nanodroplets. Understanding the physical mechanisms underlying the nanodroplet cavitation process is essential to the development of NMH. In this study, we hypothesize that cavitation nucleation is caused by the negative pressure (p-) exposed to the PFC, and the NMH cavitation threshold is therefore determined by the incident p-  of the single-cycle pulses commonly used in NMH. This paper reports the first study that separately investigates the effects of negative and positive pressure on the NMH cavitation threshold using near half-cycle ultrasound pulses with dominant negative (negative-polarity pulses) or positive (positive-polarity pulses) pressure phases. Tissue phantoms containing perfluorohexane (PFH) nanodroplets were exposed to negative-polarity and positive-polarity pulses generated by a frequency compounding transducer recently developed in our lab, and the probability of generating cavitation was measured as a function of peak negative (p-) and peak positive (p+) pressure. The results showed close agreement in the p- cavitation threshold for PFH phantoms exposed to negative-polarity (11.4 ± 0.1 MPa) and positive-polarity (11.7 ± 0.2 MPa) pulses. The p+ at the cavitation threshold, in contrast, was measured to be sign ficantly different for the negative-polarity (4.0 ± 0.1 MPa) and positive-polarity (42.6 ± 0.2 MPa) pulses. In the final part of this study, the experimental results were compared to the cavitation threshold predicted by classical nucleation theory (CNT), with results showing close agreement between simulations and experiments

  7. Rotovibrational spectroscopy of hydrogen peroxide embedded in superfluid helium nanodroplets.

    Science.gov (United States)

    Raston, Paul L; Knapp, Chrissy J; Jäger, Wolfgang

    2011-11-14

    We report the infrared depletion spectrum of para- and ortho-hydrogen peroxide embedded in superfluid helium nanodroplets in the OH stretching region. Six transitions were observed in the antisymmetric stretching band (v(5)) of H(2)O(2), and three in the weaker symmetric stretching band (v(1)). While rotations about the b- and c-axes are slowed by a factor of ∼0.4 relative to the gas phase, rotations about the a-axis are not significantly affected; this relates to the rotational speed about the a-axis being too fast for helium density to adiabatically follow. The trans tunneling splitting does not appear to be considerably affected by the helium droplet environment, and is reduced by only 6% relative to the gas phase, under the assumption that the vibrational shifts of the v(5) and v(1) torsional subbands are the same. The linewidths increase with increasing rotorsional energies, and are significantly narrower for energies which fall within the "phonon gap" of superfluid helium. These narrower lines are asymmetrically broadened, indicative of a dynamical coupling between the H(2)O(2) rotor and surrounding helium density.

  8. Anomalous response of supported few-layer hexagonal boron nitride to DC electric fields: a confined water effect?

    Science.gov (United States)

    Oliveira, Camilla; Matos, Matheus; Mazzoni, Mário; Chacham, Hélio; Neves, Bernardo

    2013-03-01

    Hexagonal boron nitride (h-BN) is a two-dimensional compound from III-V family, with the atoms of boron and nitrogen arranged in a honeycomb lattice, similar to graphene. Unlike graphene though, h-BN is an insulator material, with a gap larger than 5 eV. Here, we use Electric Force Microscopy (EFM) to study the electrical response of mono and few-layers of h-BN to an electric field applied by the EFM tip. Our results show an anomalous behavior in the dielectric response for h-BN for different bias orientation: for a positive bias applied to the tip, h-BN layers respond with a larger dielectric constant than the dielectric constant of the silicon dioxide substrate; while for a negative bias, the h-BN dielectric constant is smaller than the dielectric constant of the substrate. Based on first-principles calculations, we showed that this anomalous response may be interpreted as a macroscopic consequence of confinement of a thin water layer between h-BN and substrate. These results were confirmed by sample annealing and also also by a comparative analysis with h-BN on a non-polar substrate. All the authors acknowledge financial support from CNPq, Fapemig, Rede Nacional de Pesquisa em Nanotubos de Carbono and INCT-Nano-Carbono.

  9. The Microscopic Structure of Adsorbed Water on Hydrophobic Surfaces under Ambient Conditions

    OpenAIRE

    Cao, Peigen; Xu, Ke; Varghese, Joseph O.; Heath, James R.

    2011-01-01

    The interaction of water vapor with hydrophobic surfaces is poorly understood. We utilize graphene templating to preserve and visualize the microscopic structures of adsorbed water on hydrophobic surfaces. Three well-defined surfaces [H–Si(111), graphite, and functionalized mica] were investigated, and water was found to adsorb as nanodroplets (~10–100 nm in size) on all three surfaces under ambient conditions. The adsorbed nanodroplets were closely associated with atomic-scale surface defect...

  10. Perfluorinated surfactants as model charged systems for understanding the effect of confinement on proton transport and water mobility in fuel cell membranes. A study by QENS

    Science.gov (United States)

    Lyonnard, S.; Berrod, Q.; Brüning, B.-A.; Gebel, G.; Guillermo, A.; Ftouni, H.; Ollivier, J.; Frick, B.

    2010-10-01

    We have investigated the dynamical properties of water confined in mesomorphous phases of perfluorinated sulfonic surfactants. These systems mimic the physico-chemical properties of the perfluorinated Nafion membranes which are used as electrolyte in fuel cells. As the surfactants offer the advantage to self-assemble in well defined organized phases (such as hexagonal and lamellar phases), they could be used as model charged systems to understand the structure-transport relationship in complex real materials. Indeed, the geometry as well as the typical confinement size can be easily controlled and tuned through water concentration and temperature. A QENS study of hexagonal and lamellar phases has been performed on both time-of-flight and backscattering spectrometers to cover a dynamic range from picoseconds to nanoseconds. Analysis of the data with localized translational diffusion models shows the existence of a strong confinement effect that depends on the geometry. Typical confinement sizes and diffusion coefficients can be extracted from the QENS analysis and compared to the Nafion membrane.

  11. Coalescence-Induced Jumping of Two Unequal-Sized Nanodroplets.

    Science.gov (United States)

    Xie, Fang-Fang; Lu, Gui; Wang, Xiao-Dong; Wang, Bing-Bing

    2018-02-12

    Coalescence-induced self-propelled jumping of droplets on superhydrophobic surfaces has potential applications for condensation heat transfer enhancement, anti-icing, self-cleaning, antidew, and so forth. However, most of the previous studies focused on two identical droplets which are not commonly encountered in the nature. In this work, coalescence-induced jumping phenomena of two unequal-sized droplets on superhydrophobic surfaces were investigated theoretically and numerically. First, by introducing modified inertial-capillary velocity (u ic * ) and Ohnesorge number (Oh*) with consideration of radius ratio (r*) of two coalescing droplets, we proposed a generalized inertial-capillary scaling law for the jumping velocity of coalesced droplets, which is expected to be applicable for both two identical droplets and two unequal-sized droplets coalescing on superhydrophobic surfaces. Subsequently, we employed molecular dynamics simulations to investigate the coalescence-induced jumping process of two unequal-sized nanodroplets. Our simulations showed that the dimensionless jumping velocity (v j /u ic * ) well follows the generalized inertial-capillary scaling law with v j /u ic * ≈ 0.127 in a specific Oh* range; however, it rapidly reduces and finally vanishes when the radius ratio of large droplet to small droplet is larger than a certain threshold value. Our simulations also revealed that nonjumping of two unequal-sized droplets with a very large radius ratio is due to that the larger droplet swallows the small one, so that the liquid bridge has no chance to impact the solid surface, and hence the "liquid bridge impacting substrate" mechanism fails in this circumstance.

  12. Electronic Spectroscopy of Phthalocyanine and Porphyrin Derivatives in Superfluid Helium Nanodroplets.

    Science.gov (United States)

    Slenczka, Alkwin

    2017-07-25

    Phthalocyanine and porphyrin were among the first organic compounds investigated by means of electronic spectroscopy in superfluid helium nanodroplets. Superfluid helium nanodroplets serve as a very gentle host system for preparing cold and isolated molecules. The uniqueness of helium nanodroplets is with respect to the superfluid phase which warrants the vanishing viscosity and, thus, minimal perturbation of the dopant species at a temperature as low as 0.37 K. These are ideal conditions for the study of molecular spectra in order to analyze structures as well as dynamic processes. Besides the investigation of the dopant species itself, molecular spectroscopy in helium droplets provides information on the helium droplet and in particular on microsolvation. This article, as part of a special issue on phthalocyanines and porphyrins, reviews electronic spectroscopy of phthalocyanine and porphyrin compounds in superfluid helium nanodroplets. In addition to the wide variety of medical as well as technical and synthetical aspects, this article discusses electronic spectroscopy of phthalocyanines and porphyrins in helium droplets in order to learn about both the dopant and the helium environment.

  13. Absorption spectroscopy of adenine, 9-methyladenine, and 2-aminopurine in helium nanodroplets

    NARCIS (Netherlands)

    Smolarek, S.; Rijs, A. M.; Buma, W. J.; Drabbels, M.

    2010-01-01

    High-resolution absorption spectra of adenine, 9-methyladenine and 2-aminopurine in helium nanodroplets have been recorded. In contrast to molecular beam experiments, large variations in linewidths are observed for adenine and 9-methyladenine. At the same time, the spectrum of 2-aminopurine remains

  14. Conformational Flexibility of a Rotaxane Thread Probed by Electronic Spectroscopy in Helium Nanodroplets

    NARCIS (Netherlands)

    Smolarek, S.; Rijs, A. M.; Hannam, J. S.; Leigh, D. A.; Drabbels, M.; Buma, W. J.

    2009-01-01

    Ultrahigh-resolution spectroscopic studies have been performed to elucidate the conformational landscape of the succinamide-based thread 1 that is frequently employed in mechanically interlocked molecular assemblies. We show how dissolving single molecules into a helium nanodroplet enables us to

  15. Conformational flexibility of a rotaxane thread probed by electronic spectroscopy in helium nanodroplets

    NARCIS (Netherlands)

    Smolarek, S.; Rijs, A.M.; Hannam, J.S.; Leigh, D.A.; Drabbels, M.; Buma, W.J.

    2009-01-01

    Ultrahigh-resolution spectroscopic studies have been performed to elucidate the conformational landscape of the succinamide-based thread [1] that is frequently employed in mechanically interlocked molecular assemblies. We show how dissolving single molecules into a helium nanodroplet enables us to

  16. IR spectroscopy of molecular ions by nonthermal ion ejection from helium nanodroplets

    NARCIS (Netherlands)

    Smolarek, S.; Brauer, N.B.; Buma, W.J.; Drabbels, M.

    2010-01-01

    Infrared spectroscopy provides a means to determine the intrinsic geometrical structures of molecules. Here we present a novel spectroscopic method that uses superfluid helium nanodroplets to record IR spectra of cold molecular ions, in this particular case aniline cations. The method is based on

  17. Electron attachment and electron ionization of acetic acid clusters embedded in helium nanodroplets

    NARCIS (Netherlands)

    da Silva, F. Ferreira; Jaksch, S.; Martins, G.; Dang, H. M.; Dampc, M.; Denifl, S.; Maerk, T. D.; Limao-Vieira, P.; Liu, J.; Yang, S.; Ellis, A. M.; Scheier, P.

    2009-01-01

    The effect of incident electrons on acetic acid clusters is explored for the first time. The acetic acid clusters are formed inside liquid helium nanodroplets and both cationic and anionic products ejected into the gas phase are detected by mass spectrometry. The cation chemistry (induced by

  18. A Cascade Disaster Caused by Geological and Coupled Hydro-Mechanical Factors—Water Inrush Mechanism from Karst Collapse Column under Confining Pressure

    Directory of Open Access Journals (Sweden)

    Hao Li

    2017-11-01

    Full Text Available The water inrush from karst collapse column (KCC is a cascading, vicious cycle disaster caused by geological and mining activities, that can cause serious casualties and property losses. The key to preventing this risk is to study the mechanism of water inrush under confining pressure. Aiming at the investigationg the characteristics of the KCC named X1 in Chensilou mine, a series of methods, including connectivity experiments, water pressure monitoring tests in two side-walls, and numerical simulations based on plastic damage-seepage (PD-S theory have been developed. The methods are used to test the security of the 2519 mining area, the damage thickness, pore water pressure, and seepage vector in the X1. The results indicate that the X1 has a certain water blocking capacity. In addition, with the decrease of confining pressure and increase of shear stress, deviatoric stress could cause the increase of permeability, the reduction of strength, and the reduction of pore water pressure in KCC. Therefore the increased effective stress in the rock will force the rock to become more fractured. Conversely, the broken rock could cause the change of stress, and further initiate new plastic strains, damage and pore water pressure until a new equilibrium is reached. This cascading water inrush mechanism will contribute to the exploitation of deep coal resources in complex geological and hydrogeological conditions.

  19. Bypassing multidrug resistant ovarian cancer using ultrasound responsive doxorubicin/curcumin co-deliver alginate nanodroplets.

    Science.gov (United States)

    Baghbani, Fatemeh; Moztarzadeh, Fathollah

    2017-05-01

    Ultrasound-responsive perfluorocarbon nanoemulsions are a class of new multifunctional smart nanocarriers which combine diagnostic properties with therapeutic properties and release their drug payload in a controlled manner in response to ultrasound. Therefore, combination therapy using chemotherapeutic and chemosensitizing agents co-entrapped in these nanocarriers seems beneficial for cancer treatment. In the present study, multifunctional smart alginate/perfluorohexane nanodroplets were developed for co-delivery of doxorubicin and curcumin (a strong chemosensitizer). The nanodroplets with the average particle size of 55.1nm were synthesized via nanoemulsion process. The entrapment efficiency of doxorubicin was 92.3%. To improve curcumin entrapment into the alginate shell, Span 60 was added to the formulation as a co-surfactant and finally curcumin entrapment of about 40% was achieved. Ultrasound-mediated drug release kinetic was evaluated at two different frequencies of 28kHz (low frequency) and 1MHz (high frequency). Low frequency ultrasound resulted in higher triggered drug release from nanodroplets. The nanodroplets showed strong ultrasound contrast via droplet to bubble transition as confirmed via B-mode ultrasound imaging. Enhanced cytotoxicity in adriamycin-resistant A2780 ovarian cancer cells was observed for Dox-Cur-NDs compared to Dox-NDs because of the synergistic effects of doxorubicin and curcumin. However, ultrasound irradiation significantly increased the cytotoxicity of Dox-Cur-NDs. Finally, in vivo ovarian cancer treatment using Dox/Cur-NDs combined with ultrasound irradiation resulted in efficient tumor regression. According to the present study, nanotherapy of multidrug resistant human ovarian cancer using ultrasound responsive doxorubicin/curcumin co-loaded alginate-shelled nanodroplets combined with ultrasound irradiation could be a promising modality for the future of cancer treatment. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. The effect of the molecular mass on the sputtering by electrosprayed nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Borrajo-Pelaez, Rafael; Gamero-Castaño, Manuel, E-mail: mgameroc@uci.edu

    2015-07-30

    Highlights: • We study the effect of the molecular mass on nanodroplet sputtering of silicon. • The impact phenomenology is a strong function of the projectile’s molecular mass. • Nanodroplet sputtering intrinsically is a molecular scale phenomenon. - Abstract: Energetic bombardment of covalently bonded materials by electrosprayed nanodroplets causes sputtering and topographic changes on the surface of the target. This work investigates the influence of the projectile's molecular mass on these phenomena by sputtering single-crystal silicon wafers with a variety of liquids (molecular masses between 45.0 and 773.3 amu), and acceleration voltages. The electrosprays are characterized via time of flight to determine the charge to mass ratio of the nanodroplets which, together with the acceleration voltage, yield the impact velocity, the stagnation pressure, and the molecular kinetic energy of the projectile. The estimated range of droplet diameters is 20–79 nm, while the impact velocity, the stagnation pressure and the molecular kinetic energy range between 2.9–10 km/s, 4.7–63 GPa, and 2.1–98 eV. We find that the damage on the surface of the targets strongly depends on the molecular mass of the projectile: liquids with low molecular mass sputter significantly less and produce nanometric indentations and low surface roughness, the latter increasing moderately with stagnation pressure; in contrast, the roughness and sputtering caused by the impacts of droplets with larger molecular mass reach significantly higher values, and exhibit non-monotonic behaviors. The maximum sputtering yields for formamide, EAN, EMI-BF{sub 4}, EMI-Im, TES, and TPP are 0.20, 0.75, 1.20, 2.80, 4.00 and 2.90 silicon atoms per molecule in the projectile. These trends indicate that despite their rather large diameters, the sputtering by electrosprayed nanodroplets is intrinsically a molecular scale phenomenon.

  1. Evaluation of Confining Layer Integrity Beneath the South District Wastewater Treatment Plant, Miami-Dade Water and Sewer Department, Dade County, Florida

    Energy Technology Data Exchange (ETDEWEB)

    Starr, Robert Charles; Green, Timothy Scott; Hull, Laurence Charles

    2001-02-01

    A review has been performed of existing information that describes geology, hydrogeology, and geochemistry at the South District Wastewater Treatment Plant, which is operated by the Miami-Dade Water and Sewer Department, in Dade County, Florida. Treated sanitary wastewater is injected into a saline aquifer beneath the plant. Detection of contaminants commonly associated with treated sanitary wastewater in the freshwater aquifer that overlies the saline aquifer has indicated a need for a reevaluation of the ability of the confining layer above the saline aquifer to prevent fluid migration into the overlying freshwater aquifer. Review of the available data shows that the geologic data set is not sufficient to demonstrate that a competent confining layer is present between the saline and freshwater aquifers. The hydrogeologic data also do not indicate that a competent confining layer is present. The geochemical data show that the freshwater aquifer is contaminated with treated wastewater, and the spatial patterns of contamination are consistent with upward migration through localized conduits through the Middle Confining Unit, such as leaking wells or natural features. Recommendations for collection and interpretation of additional site characterization data are provided.

  2. Hydrogeologic characteristics and water quality of a confined sand unit in the surficial aquifer system, Hunter Army Airfield, Chatham County, Georgia

    Science.gov (United States)

    Gonthier, Gerard

    2012-01-01

    An 80-foot-deep well (36Q397, U.S. Geological Survey site identification 320146081073701) was constructed at Hunter Army Airfield to assess the potential of using the surficial aquifer system as a water source to irrigate a ballfield complex. A 300-foot-deep test hole was drilled beneath the ballfield complex to characterize the lithology and water-bearing characteristics of sediments above the Upper Floridan aquifer. The test hole was then completed as well 36Q397 open to a 19-foot-thick shallow, confined sand unit contained within the surficial aquifer system. A single-well, 24-hour aquifer test was performed by pumping well 36Q397 at a rate of 50 gallons per minute during July 13-14, 2011, to characterize the hydrologic properties of the shallow, confined sand unit. Two pumping events prior to the aquifer test affected water levels. Drawdown during all three pumping events and residual drawdown during recovery periods were simulated using the Theis formula on multiple changes in discharge rate. Simulated drawdown and residual drawdown match well with measured drawdown and residual drawdown using values of horizontal hydraulic conductivity and specific storage, which are typical for a confined sand aquifer. Based on the hydrologic parameters used to match simulated drawdown and residual drawdown to measured drawdown and residual drawdown, the transmissivity of the sand was determined to be about 400 feet squared per day. The horizontal hydraulic conductivity of the sand was determined to be about 20 feet per day. Analysis of a water-quality sample indicated that the water is suitable for irrigation. Sample analysis indicated a calcium-carbonate type water having a total dissolved solids concentration of 39 milligrams per liter. Specific conductance and concentrations of all analyzed constituents were below those that would be a concern for irrigation, and were below primary and secondary water-quality criteria levels.

  3. The role of positive and negative pressure on cavitation nucleation in nanodroplet-mediated histotripsy

    Science.gov (United States)

    Vlaisavljevich, Eli; Aydin, Omer; Lin, Kuang-Wei; Yuksel Durmaz, Yasemin; Fowlkes, Brian; ElSayed, Mohamed; Xu, Zhen

    2016-01-01

    Nanodroplet-mediated histotripsy (NMH) is an ultrasound ablation technique combining histotripsy with acoustically sensitive perfluorocarbon (PFC) nanodroplets that can be selectively delivered to tumor cells for targeted tumor ablation. NMH takes advantage of the significantly reduced cavitation threshold of the nanodroplets, allowing for cavitation to be selectively generated only in regions containing nanodroplets. Understanding the physical mechanisms underlying the nanodroplet cavitation process is essential to the development of NMH. In this study, we hypothesize that cavitation nucleation is caused by the negative pressure (p-) exposed to the PFC, and the NMH cavitation threshold is therefore determined by the incident p-  of the single-cycle pulses commonly used in NMH. This paper reports the first study that separately investigates the effects of negative and positive pressure on the NMH cavitation threshold using near half-cycle ultrasound pulses with dominant negative (negative-polarity pulses) or positive (positive-polarity pulses) pressure phases. Tissue phantoms containing perfluorohexane (PFH) nanodroplets were exposed to negative-polarity and positive-polarity pulses generated by a frequency compounding transducer recently developed in our lab, and the probability of generating cavitation was measured as a function of peak negative (p-) and peak positive (p+) pressure. The results showed close agreement in the p-  cavitation threshold for PFH phantoms exposed to negative-polarity (11.4  ±  0.1 MPa) and positive-polarity (11.7  ±  0.2 MPa) pulses. The p+ at the cavitation threshold, in contrast, was measured to be significantly different for the negative-polarity (4.0  ±  0.1 MPa) and positive-polarity (42.6  ±  0.2 MPa) pulses. In the final part of this study, the experimental results were compared to the cavitation threshold predicted by classical nucleation theory (CNT), with results showing

  4. Focused ultrasound-facilitated brain drug delivery using optimized nanodroplets: vaporization efficiency dictates large molecular delivery

    Science.gov (United States)

    Wu, Shih-Ying; Fix, Samantha M.; Arena, Christopher B.; Chen, Cherry C.; Zheng, Wenlan; Olumolade, Oluyemi O.; Papadopoulou, Virginie; Novell, Anthony; Dayton, Paul A.; Konofagou, Elisa E.

    2018-02-01

    Focused ultrasound with nanodroplets could facilitate localized drug delivery after vaporization with potentially improved in vivo stability, drug payload, and minimal interference outside of the focal zone compared with microbubbles. While the feasibility of blood–brain barrier (BBB) opening using nanodroplets has been previously reported, characterization of the associated delivery has not been achieved. It was hypothesized that the outcome of drug delivery was associated with the droplet’s sensitivity to acoustic energy, and can be modulated with the boiling point of the liquid core. Therefore, in this study, octafluoropropane (OFP) and decafluorobutane (DFB) nanodroplets were used both in vitro for assessing their relative vaporization efficiency with high-speed microscopy, and in vivo for delivering molecules with a size relevant to proteins (40 kDa dextran) to the murine brain. It was found that at low pressures (300–450 kPa), OFP droplets vaporized into a greater number of microbubbles compared to DFB droplets at higher pressures (750–900 kPa) in the in vitro study. In the in vivo study, successful delivery was achieved with OFP droplets at 300 kPa and 450 kPa without evidence of cavitation damage using ¼ dosage, compared to DFB droplets at 900 kPa where histology indicated tissue damage due to inertial cavitation. In conclusion, the vaporization efficiency of nanodroplets positively impacted the amount of molecules delivered to the brain. The OFP droplets due to the higher vaporization efficiency served as better acoustic agents to deliver large molecules efficiently to the brain compared with the DFB droplets.

  5. Laser-induced rotation of iodine molecules in He-nanodroplets

    DEFF Research Database (Denmark)

    Shepperson, Benjamin; Søndergaard, Anders A.; Christiansen, Lars

    2017-01-01

    Rotation of molecules embedded in He nanodroplets is explored by a combination of fs laser-induced alignment experiments and angulon quasiparticle theory. We demonstrate that at low fluence of the fs alignment pulse, the molecule and its solvation shell can be set into coherent collective rotation...... shell. Our results open novel opportunities for studying non-equilibrium solute-solvent dynamics and quantum thermalization....

  6. Nano-droplet systems by surfactant self-assembly and applications in the pharmaceutical industry.

    Science.gov (United States)

    Rodríguez-Abreu, Carlos; Vila, Ana

    2014-01-01

    Liquid systems containing droplets with size in the nanoscale range are attractive from both scientific and technological points of view as they have many current and potential applications in several industries and products. The formation and stabilization of nano-droplet systems are mostly based on the self-assembly of surfactant (amphiphilic) molecules at interfaces, driven by the solvophobic effect. Surfactants are involved in both top-bottom (high energy) and bottom- up (low energy) methods. Several devices have also been developed to aid in liquid fragmentation down to the nanometer scale. Nano-droplet systems can be both thermodynamically stable (microemulsions) or metastable (nanoemulsions), and appropriate formulation is a key for optimum product design in terms of droplet size, maximum solubilization, colloidal stability, and optical and rheological properties, among others. Such characteristics are determined by molecular packing, interfacial curvature, droplet-droplet interactions, film elasticity and nature of the dispersed and continuous phase. These properties can be engineered by proper understanding of the molecular structure and phase behavior of the multicomponent systems involved and by a range of experimental characterization techniques. Nano-droplet systems can help to solve specific issues in pharmaceutical products such as processing, limitations in drug solubility or stability, control on drug release, drug targeting and absorption; there are many examples to prove that. However, several practical aspects should be considered for preclinical and clinical tests and product development.

  7. Magnetic confinement

    Energy Technology Data Exchange (ETDEWEB)

    Batistoni, Paola; De Marco, Francesco; Pieroni, Leonardo (ed.)

    2005-07-01

    The Frascati Tokamak Upgrade (FTU) is a compact, high-magnetic-field tokamak capable of operating at density and magnetic field values similar to, or even encompassing, those of International Thermonuclear Experimental Reactor (ITER) and therefore provides a unique opportunity to explore physics issues that are directly relevant to ITER. During 2004 the experimental activities were focussed on fully exploiting the lower hybrid system (for generating and controlling the plasma current) and the electron cyclotron heating system (joint experiment with the Institute of Plasma Physics of the National Research Council, Milan). With all four gyrotrons in operation, full electron cyclotron power was achieved up to a record level of 1.5 MW. By simultaneously injecting lower hybrid waves, to tailor the plasma current radial profile, and electron cyclotron waves, to heat the plasma centre, good confinement regimes with internal transport barriers were obtained at the highest plasma density values ever achieved for this operation regime (n {approx}1.5X10{sup 20}m{sup -3}). Specific studies were devoted to optimising the coupling of lower hybrid waves to the plasma (by real-time control of the plasma position) and to generating current by electron cyclotron current drive. The new scanning CO{sub 2} interferometer (developed by the Reversed Field Experiment Consortium) for high spatial and time resolution (1 cm/50 {mu}s) density profile measurements was extensively used. The Thomson scattering diagnostic was upgraded and enabled observation of scattered signals associated with the Confinement background plasma dynamics. As for theoretical studies on the dynamics of turbulence in plasmas, the transition from Bohm-like scaling to gyro-Bohm scaling of the local plasma diffusivity was demonstrated on the basis of a generalised four wave model (joint collaboration with Princeton Plasma Physics Laboratory and the University of California at Irvine). The transition from weak to strong

  8. Materials Properties and Solvated Electron Dynamics of Isolated Nanoparticles and Nanodroplets Probed with Ultrafast Extreme Ultraviolet Beams.

    Science.gov (United States)

    Ellis, Jennifer L; Hickstein, Daniel D; Xiong, Wei; Dollar, Franklin; Palm, Brett B; Keister, K Ellen; Dorney, Kevin M; Ding, Chengyuan; Fan, Tingting; Wilker, Molly B; Schnitzenbaumer, Kyle J; Dukovic, Gordana; Jimenez, Jose L; Kapteyn, Henry C; Murnane, Margaret M

    2016-02-18

    We present ultrafast photoemission measurements of isolated nanoparticles in vacuum using extreme ultraviolet (EUV) light produced through high harmonic generation. Surface-selective static EUV photoemission measurements were performed on nanoparticles with a wide array of compositions, ranging from ionic crystals to nanodroplets of organic material. We find that the total photoelectron yield varies greatly with nanoparticle composition and provides insight into material properties such as the electron mean free path and effective mass. Additionally, we conduct time-resolved photoelectron yield measurements of isolated oleylamine nanodroplets, observing that EUV photons can create solvated electrons in liquid nanodroplets. Using photoemission from a time-delayed 790 nm pulse, we observe that a solvated electron is produced in an excited state and subsequently relaxes to its ground state with a lifetime of 151 ± 31 fs. This work demonstrates that femotosecond EUV photoemission is a versatile surface-sensitive probe of the properties and ultrafast dynamics of isolated nanoparticles.

  9. Liquefaction Mitigation Using Lateral Confinement Technique

    Directory of Open Access Journals (Sweden)

    W. R. Azzam

    2012-01-01

    Full Text Available The exploration of a series of shaking tests on circular model footing with and without cellular confinement constructed around the footing with variable depths and diameters under the effect of variable net bearing stress is studied. The effect of the confinement on the liquefaction time, final settlement, excess pore water pressure, and induced building acceleration were studied. The consequences showed that installing the cell with minimum diameter closer to footing and sufficient penetration depth significantly delayed the liquefaction time. It can be considered as an alternative technique to decrease both the lateral spreading and the final settlement below the foundation during the shaking. The results demonstrated that the cell reduced the excess pore water pressure within the confined zone and the pore water pressure migration outside the confined block where the liquefaction is induced. Moreover, the peak foundation acceleration of the confined footing soil system is reduced compared with the case of without cell confinement.

  10. Preparation of a self-supporting cell architecture mimic by water channel confined photocrosslinking within a lamellar structured hydrogel.

    Energy Technology Data Exchange (ETDEWEB)

    Grubjesic, S.; Lee, B.; Seifert, S.; Firestone, M. A. (Materials Science Division); ( XSD)

    2011-01-01

    A self-supporting biomimetic chemical hydrogel that can be reversibly swollen in water is described. An aqueous dispersion of a diacrylate end-derivatized PEO-PPO-PEO macromer, a saturated phospholipid, and a zwitterionic co-surfactant self-assembles into a multilamellar-structured physical gel at room temperature as determined by SAXS. The addition of a water soluble PEGDA co-monomer and photoinitiator within the water layers does not alter the self-assembled structure. ATR/FT-IR spectroscopy reveals that photoirradiation initiates the crosslinking between the acrylate end groups on the macromer with the PEGDA, forming a polymeric network within the aqueous domains. The primitive cytoskeleton mimic serves to stabilize the amphiphile bilayer, converting the physical gel into an elastic self-supporting chemical gel. Storage under ambient conditions causes dehydration of the hydrogel to 5 wt % water which can be reversed by swelling in water. The fully water swollen gel (85 wt % water) remains self-supporting but converts to a non-lamellar structure. As water is lost the chemical gel regains its lamellar structure. Incubation of the hydrogel in nonpolar organic solvents that do not dissolve the uncrosslinked lipid component (hexane) allow for swelling without loss of structural integrity. Chloroform, which readily solubilizes the lipid, causes irreversible loss of the lamellar structure.

  11. Enhanced Detection of Cancer Biomarkers in Blood-Borne Extracellular Vesicles Using Nanodroplets and Focused Ultrasound.

    Science.gov (United States)

    Paproski, Robert J; Jovel, Juan; Wong, Gane Ka-Shu; Lewis, John D; Zemp, Roger J

    2017-01-01

    The feasibility of personalized medicine approaches will be greatly improved by the development of noninvasive methods to interrogate tumor biology. Extracellular vesicles shed by solid tumors into the bloodstream have been under recent investigation as a source of tumor-derived biomarkers such as proteins and nucleic acids. We report here an approach using submicrometer perfluorobutane nanodroplets and focused ultrasound to enhance the release of extracellular vesicles from specific locations in tumors into the blood. The released extracellular vesicles were enumerated and characterized using micro flow cytometry. Only in the presence of nanodroplets could ultrasound release appreciable levels of tumor-derived vesicles into the blood. Sonication of HT1080-GFP tumors did not increase the number of circulating tumor cells or the metastatic burden in the tumor-bearing embryos. A variety of biological molecules were successfully detected in tumor-derived extracellular vesicles, including cancer-associated proteins, mRNAs, and miRNAs. Sonication of xenograft HT1080 fibrosarcoma tumors released extracellular vesicles that contained detectable RAC1 mRNA with the highly tumorigenic N92I mutation known to exist in HT1080 cells. Deep sequencing serum samples of embryos with sonicated tumors allowed the identification of an additional 13 known heterozygous mutations in HT1080 cells. Applying ultrasound to HT1080 tumors increased tumor-derived DNA in the serum by two orders of magnitude. This work is the first demonstration of enhanced extracellular vesicle release by ultrasound stimulation and suggests that nanodroplets/ultrasound offers promise for genetic profiling of tumor phenotype and aggressiveness by stimulating the release of extracellular vesicles. Cancer Res; 77(1); 3-13. ©2016 AACR. ©2016 American Association for Cancer Research.

  12. Communication: Nucleation of quantized vortex rings in {sup 4}He nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Mateo, David; Leal, Antonio; Barranco, Manuel; Pi, Martí [Departament ECM, Facultat de Física, and IN2UB, Universitat de Barcelona, Diagonal 645, 08028 Barcelona (Spain); Hernando, Alberto [Laboratory of Theoretical Physical Chemistry, Institut des Sciences et Ingénierie Chimiques, Swiss Federal Institute of Technology Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Cargnoni, Fausto [Istituto di Scienze e Tecnologie Molecolari (ISTM), Consiglio Nazionale delle Ricerche, via Golgi 19, 20133 Milano (Italy); Mella, Massimo [Dipartimento di Scienza ed Alta Tecnologia, Università degli Studi dell’Insubria, via Valleggio 11, 22100 Como (Italy); Zhang, Xiaohang; Drabbels, Marcel [Laboratoire de Chimie Physique Moléculaire, Swiss Federal Institute of Technology Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

    2014-04-07

    Whereas most of the phenomena associated with superfluidity have been observed in finite-size helium systems, the nucleation of quantized vortices has proven elusive. Here we show using time-dependent density functional simulations that the solvation of a Ba{sup +} ion created by photoionization of neutral Ba at the surface of a {sup 4}He nanodroplet leads to the nucleation of a quantized ring vortex. The vortex is nucleated on a 10 ps timescale at the equator of a solid-like solvation structure that forms around the Ba{sup +} ion. The process is expected to be quite general and very efficient under standard experimental conditions.

  13. Quantum interference spectroscopy of rubidium-helium exciplexes formed on helium nanodroplets.

    Science.gov (United States)

    Mudrich, M; Stienkemeier, F; Droppelmann, G; Claas, P; Schulz, C P

    2008-01-18

    Femtosecond multiphoton pump-probe photoionization is applied to helium nanodroplets doped with rubidium (Rb). The yield of Rb+ ions features pronounced quantum interference (QI) fringes demonstrating the coherence of a superposition of electronic states on a time scale of tens of picoseconds. Furthermore, we observe QI in the yield of formed RbHe exciplex molecules. The quantum interferogram allows us to determine the vibrational structure of these unstable molecules. From a sliced Fourier analysis one cannot only extract the population dynamics of vibrational states but also follow their energetic evolution during the RbHe formation.

  14. Communication: X-ray coherent diffractive imaging by immersion in nanodroplets

    Directory of Open Access Journals (Sweden)

    Rico Mayro P. Tanyag

    2015-09-01

    Full Text Available Lensless x-ray microscopy requires the recovery of the phase of the radiation scattered from a specimen. Here, we demonstrate a de novo phase retrieval technique by encapsulating an object in a superfluid helium nanodroplet, which provides both a physical support and an approximate scattering phase for the iterative image reconstruction. The technique is robust, fast-converging, and yields the complex density of the immersed object. Images of xenon clusters embedded in superfluid helium droplets reveal transient configurations of quantum vortices in this fragile system.

  15. Conformational flexibility of a rotaxane thread probed by electronic spectroscopy in helium nanodroplets.

    Science.gov (United States)

    Smolarek, Szymon; Rijs, Anouk M; Hannam, Jeffrey S; Leigh, David A; Drabbels, Marcel; Buma, Wybren J

    2009-09-16

    Ultrahigh-resolution spectroscopic studies have been performed to elucidate the conformational landscape of the succinamide-based thread 1 that is frequently employed in mechanically interlocked molecular assemblies. We show how dissolving single molecules into a helium nanodroplet enables us to resolve the broad absorption spectrum--which is normally observed--into the separate contributions of individual conformers that are populated under the employed experimental conditions. Excellent agreement is obtained with the results of molecular dynamics calculations. The absorption spectrum of each conformer reveals a splitting of the zero-phonon resonance that is different for each conformer and could thus serve as a spectral signature.

  16. IR spectroscopy of molecular ions by nonthermal ion ejection from helium nanodroplets.

    Science.gov (United States)

    Smolarek, Szymon; Brauer, Nils B; Buma, Wybren J; Drabbels, Marcel

    2010-10-13

    Infrared spectroscopy provides a means to determine the intrinsic geometrical structures of molecules. Here we present a novel spectroscopic method that uses superfluid helium nanodroplets to record IR spectra of cold molecular ions, in this particular case aniline cations. The method is based on the detection of ions that are ejected from the helium droplets following vibrational excitation of these ions. We find that spectra can be recorded with a high sensitivity and that they exhibit only a small matrix shift. The widths of the individual transitions depend on the excited vibrational level and are thought to be related to the interaction of the ion with the surrounding helium solvent shells.

  17. Graphene oxide-based efficient and scalable solar desalination under one sun with a confined 2D water path

    National Research Council Canada - National Science Library

    Li, Xiuqiang; Xu, Weichao; Tang, Mingyao; Zhou, Lin; Zhu, Bin; Zhu, Shining; Zhu, Jia

    2016-01-01

      Because it is able to produce desalinated water directly using solar energy with minimum carbon footprint, solar steam generation and desalination is considered one of the most important technologies...

  18. Dynamics of liquid nanodroplet formation in nanosecond laser ablation of metals

    Science.gov (United States)

    Mazzi, A.; Gorrini, F.; Miotello, A.

    2017-10-01

    The laser ablation mechanisms of metallic targets leading to liquid nanodroplet ejection are of wide interest both from a fundamental point of view and for applications in various fields, especially when nanoparticle synthesis is required. The phase explosion process was recognized as the driving mechanism of the expulsion of a mixture of vapor and liquid nanodroplets in the short pulse laser ablation of metals. A model based on thermodynamics that links the theory of homogeneous vapor bubble nucleation to the size distribution of the generated liquid nanoclusters has been recently proposed. The present work aims to take a step ahead to remove some assumptions made in previous work. Here an improved computational approach allows us to describe time-dependent nucleation in a homogeneous system with no temperature spatial gradients under nanosecond laser irradiation. Numerical results regarding the size distribution of formed liquid clusters and the time evolution of the process are shown for aluminum, iron, cobalt, nickel, copper, silver and gold. Connections with experimental data and molecular dynamics simulations, when available from literature, are reported and discussed.

  19. Nuclear Quantum Effects in H+ and OH- Diffusion Along Confined Water Wires from Ab Initio Path Integral Molecular Dyanmics

    Science.gov (United States)

    Rossi, Mariana; Ceriotti, Michele; Manolopoulos, David

    Diffusion of H+ and OH- along water wires provides an efficient mechanism for charge transport that is exploited by biological systems and shows promise in technological applications. However, what is lacking for a better control and design of these systems is a thorough theoretical understanding of the diffusion process at the atomic scale. Here we consider H+ and OH- in finite water wires using density functional theory. We employ machine learning techniques to identify the charged species, thus obtaining an agnostic definition of the charge. We employ thermostated ring polymer molecular dynamics and extract a ``universal'' diffusion coefficient from simulations with different wire sizes by considering Langevin dynamics on the potential of mean force of the charged species. In the classical case, diffusion coefficients depend significantly on the potential energy surface, in particular on how dispersion forces modulate O-O distances. NQEs, however, make the diffusion less sensitive to the underlying potential and geometry of the wire, presumably making them more robust to environment fluctuations.

  20. Absorption spectroscopy of adenine, 9-methyladenine, and 2-aminopurine in helium nanodroplets.

    Science.gov (United States)

    Smolarek, Szymon; Rijs, Anouk M; Buma, Wybren Jan; Drabbels, Marcel

    2010-12-28

    High-resolution absorption spectra of adenine, 9-methyladenine and 2-aminopurine in helium nanodroplets have been recorded. In contrast to molecular beam experiments, large variations in linewidths are observed for adenine and 9-methyladenine. At the same time, the spectrum of 2-aminopurine remains sharp upon solvation in helium droplets. The line broadening observed for adenine and 9-methyladenine is attributed to a significant decrease of the lifetime of the (1)L(b)(ππ*) state and of (1)nπ* levels vibronically coupled to this state. The origin of the lifetime reduction is argued to be related to the increased accessibility of the (1)nπ*/(1)L(b)(ππ*) conical intersection upon solvation of these molecules in liquid helium.

  1. Dynamics of solvation and desolvation of rubidium attached to He nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Vangerow, J. von; John, O.; Stienkemeier, F.; Mudrich, M., E-mail: mudrich@physik.uni-freiburg.de [Physikalisches Institut, Universität Freiburg, 79104 Freiburg (Germany)

    2015-07-21

    The real-time dynamics of photoexcited and photoionized rubidium (Rb) atoms attached to helium (He) nanodroplets is studied by femtosecond pump-probe mass spectrometry. While excited Rb atoms in the perturbed 6p-state (Rb{sup *}) desorb off the He droplets, Rb{sup +} photoions tend to sink into the droplet interior when created near the droplet surface. The transition from Rb{sup +} solvation to full Rb{sup *} desorption is found to occur at a delay time τ ∼ 600 fs for Rb{sup *} in the 6pΣ-state and τ ∼ 1200 fs for the 6pΠ-state. Rb{sup +}He ions are found to be created by directly exciting bound Rb{sup *}He exciplex states as well as by populating bound Rb{sup +}He-states in a photoassociative ionization process.

  2. Vulnerability of shallow ground water and drinking-water wells to nitrate in the United States: Model of predicted nitrate concentration in shallow, recently recharged ground water -- Input data set for confined manure (gwava-s_conf)

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the average annual nitrogen input from confined animal manure, 1992 and 1997, in kilograms per hectare, in the conterminous United States....

  3. Ultrasound-triggered phase transition sensitive magnetic fluorescent nanodroplets as a multimodal imaging contrast agent in rat and mouse model.

    Science.gov (United States)

    Cheng, Xin; Li, Huan; Chen, Yunchao; Luo, Binhua; Liu, Xuhan; Liu, Wei; Xu, Haibo; Yang, Xiangliang

    2013-01-01

    Ultrasound-triggered phase transition sensitive nanodroplets with multimodal imaging functionality were prepared via premix Shirasu porous glass (SPG) membrane emulsification method. The nanodroplets with fluorescence dye DiR and SPIO nanoparticles (DiR-SPIO-NDs) had a polymer shell and a liquid perfluoropentane (PFP) core. The as-formed DiR-SPIO-NDs have a uniform size of 385 ± 5.0 nm with PDI of 0.169 ± 0.011. The TEM and microscopy imaging showed that the DiR-SPIO-NDs existed as core-shell spheres, and DiR and SPIO nanoparticles dispersed in the shell or core. The MTT and hemolysis studies demonstrated that the nanodroplets were biocompatible and safe. Moreover, the proposed nanodroplets exhibited significant ultrasound-triggered phase transition property under clinical diagnostic ultrasound irradiation due to the vaporization of PFP inside. Meanwhile, the high stability and R2 relaxivity of the DiR-SPIO-NDs suggested its applicability in MRI. The in vivo T2-weighted images of MRI and fluorescence images both showed that the image contrast in liver and spleen of rats and mice model were enhanced after the intravenous injection of DiR-SPIO-NDs. Furthermore, the ultrasound imaging (US) in mice tumor as well as MRI and fluorescence imaging in liver of rats and mice showed that the DiR-SPIO-NDs had long-lasting contrast ability in vivo. These in vitro and in vivo findings suggested that DiR-SPIO-NDs could potentially be a great MRI/US/fluorescence multimodal imaging contrast agent in the diagnosis of liver tissue diseases.

  4. Path Integral Monte Carlo Study Confirms a Highly Ordered Snowball in 4He Nanodroplets Doped with an Ar+ Ion

    Science.gov (United States)

    Tramonto, F.; Salvestrini, P.; Nava, M.; Galli, D. E.

    2015-07-01

    By means of the Path Integral Monte Carlo method, we have performed a detailed microscopic study of 4He nanodroplets doped with an argon ion, Ar, at K. We have computed density profiles, energies, dissociation energies, and characterized the local order around the ion for nanodroplets with a number of 4He atoms ranging from 10 to 64 and also 128. We have found the formation of a stable solid structure around the ion, a "snowball", consisting of three concentric shells in which the 4He atoms are placed at the vertices of platonic solids: the first inner shell is an icosahedron (12 atoms); the second one is a dodecahedron with 20 atoms placed on the faces of the icosahedron of the first shell; the third shell is again an icosahedron composed of 12 atoms placed on the faces of the dodecahedron of the second shell. The "magic numbers" implied by this structure, 12, 32, and 44 helium atoms, have been observed in a recent experimental study (Bartl et al., J Phys Chem A 118:8050, 2014) of these complexes; the dissociation energy curve computed in the present work shows jumps in correspondence with those found in the nanodroplets abundance distribution measured in that experiment, strengthening the agreement between theory and experiment. The same structures were predicted in Galli et al. (J Phys Chem A 115:7300, 2011) in a study regarding Na+@4He when ; a comparison between Ar+@4He and Na+@4He complexes is also presented.

  5. Mass effects in the photodissociation of homonuclear diatomic molecules in helium nanodroplets: inelastic collision and viscous flow energy exchange regimes.

    Science.gov (United States)

    Vilà, Arnau; González, Miguel

    2016-10-05

    The influence of the mass in the photodissociation dynamics of a homonuclear diatomic molecule (X2), embedded in a superfluid helium nanodroplet (T = 0.37 K) of 300 atoms, has been investigated using a hybrid quantum dynamics method recently proposed by us. Several hypothetical isotopic variants of Cl2 have been examined in order to make possible the analysis of a wide diversity of masses (mX: 0.25mCl-1.50mCl). This is probably the first time that this problem has been considered theoretically. The photodissociation mechanism of X2(B) is very similar to that of Cl2(B) and the efficiency of the X2-helium energy exchange mechanism can be so great that it leads to the full and partial (≈86%) geminate recombination for the lower masses explored (mX = 0.25mCl and 0.50mCl, respectively). From the energy exchange perspective two dynamic regimes have been identified. The first regime occurs at the initial times of the photodissociation and corresponds to a perfectly inelastic collision (IC) between the atomic fragments (X) and some helium atoms of the solvation shell. The second regime occurs when the atomic fragments are moving through the nanodroplet, which behaves as a viscous fluid (VF). The ICVF mechanism has probably general character in the photodissociation of molecules embedded in superfluid helium nanodroplets.

  6. Confinement Aquaculture. Final Report.

    Science.gov (United States)

    Delaplaine School District, AR.

    The Delaplaine Agriculture Department Confinement Project, begun in June 1988, conducted a confinement aquaculture program by comparing the growth of channel catfish raised in cages in a pond to channel catfish raised in cages in the Black River, Arkansas. The study developed technology that would decrease costs in the domestication of fish, using…

  7. Elastic membranes in confinement.

    Science.gov (United States)

    Bostwick, J B; Miksis, M J; Davis, S H

    2016-07-01

    An elastic membrane stretched between two walls takes a shape defined by its length and the volume of fluid it encloses. Many biological structures, such as cells, mitochondria and coiled DNA, have fine internal structure in which a membrane (or elastic member) is geometrically 'confined' by another object. Here, the two-dimensional shape of an elastic membrane in a 'confining' box is studied by introducing a repulsive confinement pressure that prevents the membrane from intersecting the wall. The stage is set by contrasting confined and unconfined solutions. Continuation methods are then used to compute response diagrams, from which we identify the particular membrane mechanics that generate mitochondria-like shapes. Large confinement pressures yield complex response diagrams with secondary bifurcations and multiple turning points where modal identities may change. Regions in parameter space where such behaviour occurs are then mapped. © 2016 The Author(s).

  8. Absence of reptation in highly confined polymers.

    Science.gov (United States)

    Srivastava, S; Basu, J K

    2009-06-14

    We present results of mechanical stress relaxation measurements on polymers confined at the air-water interface in the form of a monolayer. Systematic measurements allow, to our knowledge, for the first time, observation of the scaling of the stress relaxation time of the highly confined polymers as a function of both surface concentration and molecular weight. The observed scaling is found to be very close to that expected for motion of unentangled polymer solutions with hydrodynamic interactions. Our experimental observations thus clearly rule out the possibility of entanglement and hence reptation as a mode of relaxation in such highly confined polymeric systems.

  9. Mass gap without confinement

    Science.gov (United States)

    Faedo, Antón F.; Mateos, David; Pravos, David; Subils, Javier G.

    2017-06-01

    We revisit a one-parameter family of three-dimensional gauge theories with known supergravity duals. We show that three infrared behaviors are possible. For generic values of the parameter, the theories exhibit a mass gap but no confinement, meaning no linear quark-antiquark potential; for one limiting value of the parameter the theory flows to an infrared fixed point; and for another limiting value it exhibits both a mass gap and confinement. Theories close to these limiting values exhibit quasi-conformal and quasi-confining dynamics, respectively. Eleven-dimensional supergravity provides a simple, geometric explanation of these features.

  10. High resolution IR spectroscopy of acetylene-furan in ultracold helium nanodroplets.

    Science.gov (United States)

    Metzelthin, Anja; Birer, Ozgür; Sánchez-García, Elsa; Havenith, Martina

    2008-09-21

    We have measured the IR spectrum of the acetylene-furan complex in ultracold helium nanodroplets in the region of the nu(3) CH(asym)-stretch vibration of the acetylene (between 3240 and 3300 cm(-1)). We have observed eight bands that can be attributed to acetylene-furan complexes. Two of these bands are assigned to two different isomers of the 1:1 acetylene-furan complex. The vibrational band at 3267.4 cm(-1) is assigned to the CH(asym)-stretch vibration of the dimer structure with the C-H of the acetylene being attached to the pi-system of the furan. The peak at 3272.1 cm(-1) is assigned to the CH(asym)-stretch vibration of the dimer structure with the C-H of the acetylene being attached to the oxygen atom of the furan. These assignments are confirmed by additional measurements of the spectrum of the (13)C-acetylene-furan complex.

  11. Final Technical Report: Vibrational Spectroscopy of Transient Combustion Intermediates Trapped in Helium Nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Douberly, Gary Elliott [Univ. of Georgia, Athens, GA (United States)

    2017-11-16

    The objective of our experimental research program is to isolate and stabilize transient intermediates and products of prototype combustion reactions. This will be accomplished by Helium Nanodroplet Isolation, a novel technique where liquid helium droplets freeze out high energy metastable configurations of a reacting system, permitting infrared spectroscopic characterizations of products and intermediates that result from hydrocarbon radical reactions with molecular oxygen and other small molecules relevant to combustion environments. The low temperature (0.4 K) and rapid cooling associated with He droplets provides a perfectly suited medium to isolate and probe a broad range of molecular radical and carbene systems important to combustion chemistry. The sequential addition of molecular species to He droplets often leads to the stabilization of high-energy, metastable cluster configurations that represent regions of the potential energy surface far from the global minimum. Single and double resonance IR laser spectroscopy techniques, along with Stark and Zeeman capabilities, are being used to probe the structural and dynamical properties of these systems.

  12. Application of Ultrasound to Selectively Localize Nanodroplets for Targeted Imaging and Therapy

    Directory of Open Access Journals (Sweden)

    Paul A. Dayton

    2006-07-01

    Full Text Available Lipid-coated perfluorocarbon nanodroplets are submicrometer-diameter liquid-filled droplets with proposed applications in molecularly targeted therapeutics and ultrasound (US imaging. Ultrasonic molecular imaging is unique in that the optimal application of these agents depends not only on the surface chemistry, but also on the applied US field, which can increase receptor-ligand binding and membrane fusion. Theory and experiments are combined to demonstrate the displacement of perfluorocarbon nanoparticles in the direction of US propagation, where a traveling US wave with a peak pressure on the order of megapascals and frequency in the megahertz range produces a particle translational velocity that is proportional to acoustic intensity and increases with increasing center frequency. Within a vessel with a diameter on the order of hundreds of micrometers or larger, particle velocity on the order of hundreds of micrometers per second is produced and the dominant mechanism for droplet displacement is shown to be bulk fluid streaming. A model for radiation force displacement of particles is developed and demonstrates that effective particle displacement should be feasible in the microvasculature. In a flowing system, acoustic manipulation of targeted droplets increases droplet retention. Additionally, we demonstrate the feasibility of US-enhanced particle internalization and therapeutic delivery.

  13. Selective intracellular vaporisation of antibody-conjugated phase-change nano-droplets in vitro

    Science.gov (United States)

    Ishijima, A.; Minamihata, K.; Yamaguchi, S.; Yamahira, S.; Ichikawa, R.; Kobayashi, E.; Iijima, M.; Shibasaki, Y.; Azuma, T.; Nagamune, T.; Sakuma, I.

    2017-03-01

    While chemotherapy is a major mode of cancer therapeutics, its efficacy is limited by systemic toxicities and drug resistance. Recent advances in nanomedicine provide the opportunity to reduce systemic toxicities. However, drug resistance remains a major challenge in cancer treatment research. Here we developed a nanomedicine composed of a phase-change nano-droplet (PCND) and an anti-cancer antibody (9E5), proposing the concept of ultrasound cancer therapy with intracellular vaporisation. PCND is a liquid perfluorocarbon nanoparticle with a liquid-gas phase that is transformable upon exposure to ultrasound. 9E5 is a monoclonal antibody targeting epiregulin (EREG). We found that 9E5-conjugated PCNDs are selectively internalised into targeted cancer cells and kill the cells dynamically by ultrasound-induced intracellular vaporisation. In vitro experiments show that 9E5-conjugated PCND targets 97.8% of high-EREG-expressing cancer cells and kills 57% of those targeted upon exposure to ultrasound. Furthermore, direct observation of the intracellular vaporisation process revealed the significant morphological alterations of cells and the release of intracellular contents.

  14. Thermal instabilities and Rayleigh breakup of ultrathin silver nanowires grown in helium nanodroplets.

    Science.gov (United States)

    Volk, Alexander; Knez, Daniel; Thaler, Philipp; Hauser, Andreas W; Grogger, Werner; Hofer, Ferdinand; Ernst, Wolfgang E

    2015-10-14

    Ag nanowires with diameters below 6 nm are grown within vortex containing superfluid helium nanodroplets and deposited onto a heatable substrate at cryogenic temperatures. The experimental setup allows an unbiased investigation of the inherent stability of pristine silver nanowires, which is virtually impossible with other methods due to chemical processes or templates involved in standard production routes. We demonstrate by experiment and by adaption of a theoretical model that initially continuous wires disintegrate into chains of spheres. This phenomenon is well described by a Rayleigh-like breakup mechanism when the substrate is heated to room temperature. Our findings clarify the recent discussions on the cause of the observed segmented patterns, where a breakup during deposition [Gomez et al., Phys. Rev. Lett., 2012, 108, 155302] or mechanisms intrinsic to the helium droplet mediated growth process [Spence et al., Phys. Chem. Chem. Phys., 2014, 16, 6903] have been proposed. The experimental setup confirms the validity of previous suggestions derived from bulk superfluid helium experiments [Gordon et al., Phys. Chem. Chem. Phys., 2014, 16, 25229] for the helium droplet system, and further allows a much more accurate determination of the breakup temperature.

  15. Robust nanobubble and nanodroplet segmentation in atomic force microscope images using the spherical Hough transform

    Directory of Open Access Journals (Sweden)

    Yuliang Wang

    2017-12-01

    Full Text Available Interfacial nanobubbles (NBs and nanodroplets (NDs have been attracting increasing attention due to their potential for numerous applications. As a result, the automated segmentation and morphological characterization of NBs and NDs in atomic force microscope (AFM images is highly awaited. The current segmentation methods suffer from the uneven background in AFM images due to thermal drift and hysteresis of AFM scanners. In this study, a two-step approach was proposed to segment NBs and NDs in AFM images in an automated manner. The spherical Hough transform (SHT and a boundary optimization operation were combined to achieve robust segmentation. The SHT was first used to preliminarily detect NBs and NDs. After that, the so-called contour expansion operation was applied to achieve optimized boundaries. The principle and the detailed procedure of the proposed method were presented, followed by the demonstration of the automated segmentation and morphological characterization. The result shows that the proposed method gives an improved segmentation result compared with the thresholding and circle Hough transform method. Moreover, the proposed method shows strong robustness of segmentation in AFM images with an uneven background.

  16. Robust nanobubble and nanodroplet segmentation in atomic force microscope images using the spherical Hough transform.

    Science.gov (United States)

    Wang, Yuliang; Lu, Tongda; Li, Xiaolai; Ren, Shuai; Bi, Shusheng

    2017-01-01

    Interfacial nanobubbles (NBs) and nanodroplets (NDs) have been attracting increasing attention due to their potential for numerous applications. As a result, the automated segmentation and morphological characterization of NBs and NDs in atomic force microscope (AFM) images is highly awaited. The current segmentation methods suffer from the uneven background in AFM images due to thermal drift and hysteresis of AFM scanners. In this study, a two-step approach was proposed to segment NBs and NDs in AFM images in an automated manner. The spherical Hough transform (SHT) and a boundary optimization operation were combined to achieve robust segmentation. The SHT was first used to preliminarily detect NBs and NDs. After that, the so-called contour expansion operation was applied to achieve optimized boundaries. The principle and the detailed procedure of the proposed method were presented, followed by the demonstration of the automated segmentation and morphological characterization. The result shows that the proposed method gives an improved segmentation result compared with the thresholding and circle Hough transform method. Moreover, the proposed method shows strong robustness of segmentation in AFM images with an uneven background.

  17. Ultrafast dynamics in helium nanodroplets probed by femtosecond time-resolved EUV photoelectron imaging

    Energy Technology Data Exchange (ETDEWEB)

    Kornilov, Oleg; Wang, Chia C.; Buenermann, Oliver; Healy, Andrew T.; Leonard, Mathew; Peng, Chunte; Leone, Stephen R.; Neumark, Daniel M.; Gessner, Oliver

    2010-07-09

    The dynamics of electronically excited helium nanodroplets are studied by femtosecond time-resolved photoelectron imaging. EUV excitation into a broad absorption band centered around 23.8 eV leads to an indirect photoemission process that generates ultraslow photoelectrons. A 1.58 eV probe pulse transiently depletes the indirect photoemission signal for pump-probe time delays <200 fs and enhances the signal beyond this delay. The depletion is due to suppression of the indirect ionization process by the probe photon, which generates a broad, isotropically emitted photoelectron band. Similar time scales in the decay of the high energy photoelectron signal and the enhancement of the indirect photoemission signal suggest an internal relaxation process that populates states in the range of a lower energy droplet absorption band located just below the droplet ionization potential (IP {approx} 23.0 eV). A nearly 70% enhancement of the ultraslow photoelectron signal indicates that interband relaxation plays a more dominant role for the droplet de-excitation mechanism than photoemission.

  18. Dynamics of photoexcited Ba{sup +} cations in {sup 4}He nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Leal, Antonio; Pi, Martí [Departament ECM, Facultat de Física, and IN" 2UB, Universitat de Barcelona, Diagonal 645, 08028 Barcelona (Spain); Zhang, Xiaohang; Drabbels, Marcel [Laboratoire de Chimie Physique Moléculaire, Swiss Federal Institute of Technology Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Barranco, Manuel [Departament ECM, Facultat de Física, and IN" 2UB, Universitat de Barcelona, Diagonal 645, 08028 Barcelona (Spain); Laboratoire des Collisions, Agrégats, Réactivité, IRSAMC, UMR 5589, CNRS et Université Paul Sabatier-Toulouse 3, 118 route de Narbonne, F-31062 Toulouse Cedex 09 (France); Cargnoni, Fausto [Istituto di Scienze e Tecnologie Molecolari (ISTM), Consiglio Nazionale delle Ricerche, via Golgi 19, 20133 Milano (Italy); Hernando, Alberto [Social Thermodynamics Applied Research (SThAR), EPFL Innovation Park, Bâtiment C, CH-1015 Lausanne (Switzerland); Mateo, David [Department of Chemistry and Biochemistry, California State University at Northridge, Northridge, California 91330 (United States); Mella, Massimo [Dipartimento di Scienza ed Alta Tecnologia, Università degli Studi dell’Insubria, via Valleggio 11, 22100 Como (Italy)

    2016-03-07

    We present a joint experimental and theoretical study on the desolvation of Ba{sup +} cations in {sup 4}He nanodroplets excited via the 6p ← 6s transition. The experiments reveal an efficient desolvation process yielding mainly bare Ba{sup +} cations and Ba{sup +}He{sub n} exciplexes with n = 1 and 2. The speed distributions of the ions are well described by Maxwell-Boltzmann distributions with temperatures ranging from 60 to 178 K depending on the excitation frequency and Ba{sup +} He{sub n} exciplex size. These results have been analyzed by calculations based on a time-dependent density functional description for the helium droplet combined with classical dynamics for the Ba{sup +}. In agreement with experiment, the calculations reveal the dynamical formation of exciplexes following excitation of the Ba{sup +} cation. In contrast to experimental observation, the calculations do not reveal desolvation of excited Ba{sup +} cations or exciplexes, even when relaxation pathways to lower lying states are included.

  19. Cracks and nanodroplets produced on tungsten surface samples by dense plasma jets

    Science.gov (United States)

    Ticoş, C. M.; Galaţanu, M.; Galaţanu, A.; Luculescu, C.; Scurtu, A.; Udrea, N.; Ticoş, D.; Dumitru, M.

    2018-03-01

    Small samples of 12.5 mm in diameter made from pure tungsten were exposed to a dense plasma jet produced by a coaxial plasma gun operated at 2 kJ. The surface of the samples was analyzed using a scanning electron microscope (SEM) before and after applying consecutive plasma shots. Cracks and craters were produced in the surface due to surface tensions during plasma heating. Nanodroplets and micron size droplets could be observed on the samples surface. An energy-dispersive spectroscopy (EDS) analysis revealed that the composition of these droplets coincided with that of the gun electrode material. Four types of samples were prepared by spark plasma sintering from powders with the average particle size ranging from 70 nanometers up to 80 μm. The plasma power load to the sample surface was estimated to be ≈4.7 MJ m-2 s-1/2 per shot. The electron temperature and density in the plasma jet had peak values 17 eV and 1.6 × 1022 m-3, respectively.

  20. Mesoscale simulations of confined Nafion thin films

    Science.gov (United States)

    Vanya, P.; Sharman, J.; Elliott, J. A.

    2017-12-01

    The morphology and transport properties of thin films of the ionomer Nafion, with thicknesses on the order of the bulk cluster size, have been investigated as a model system to explain the anomalous behaviour of catalyst/electrode-polymer interfaces in membrane electrode assemblies. We have employed dissipative particle dynamics (DPD) to investigate the interaction of water and fluorocarbon chains, with carbon and quartz as confining materials, for a wide range of operational water contents and film thicknesses. We found confinement-induced clustering of water perpendicular to the thin film. Hydrophobic carbon forms a water depletion zone near the film interface, whereas hydrophilic quartz results in a zone with excess water. There are, on average, oscillating water-rich and fluorocarbon-rich regions, in agreement with experimental results from neutron reflectometry. Water diffusivity shows increasing directional anisotropy of up to 30% with decreasing film thickness, depending on the hydrophilicity of the confining material. A percolation analysis revealed significant differences in water clustering and connectivity with the confining material. These findings indicate the fundamentally different nature of ionomer thin films, compared to membranes, and suggest explanations for increased ionic resistances observed in the catalyst layer.

  1. Molecular dynamics modeling of periodic nanostructuring of metals with a short UV laser pulse under spatial confinement by a water layer

    Science.gov (United States)

    Ivanov, D. S.; Blumenstein, A.; Ihlemann, J.; Simon, P.; Garcia, M. E.; Rethfeld, B.

    2017-12-01

    The possibility of material surfaces restructuring on the nanoscale due to ultrashort laser pulses has recently found a number of practical applications. It was found experimentally that under spatial confinement due to a liquid layer atop the surface, one can achieve even finer and cleaner structures as compared to that in air or in vacuum. The mechanism of the materials restructuring under the liquid confinement, however, is not clear and its experimental study is limited by the extreme conditions realized during the intense and localized laser energy deposition that takes place on nanometer spatial and picosecond time-scales. In this theoretical work, we suggest a molecular dynamics-based approach that is capable of simulating the processes of periodic nanostructuring with ultrashort UV laser pulse on metals. The theoretical results of the simulations are directly compared with the experimental data on the same spatial and temporal scales.

  2. A three-dimensional ground-water-flow model modified to reduce computer-memory requirements and better simulate confining-bed and aquifer pinchouts

    Science.gov (United States)

    Leahy, P.P.

    1982-01-01

    The Trescott computer program for modeling groundwater flow in three dimensions has been modified to (1) treat aquifer and confining bed pinchouts more realistically and (2) reduce the computer memory requirements needed for the input data. Using the original program, simulation of aquifer systems with nonrectangular external boundaries may result in a large number of nodes that are not involved in the numerical solution of the problem, but require computer storage. (USGS)

  3. Atomistic Simulations of Thermophoretic Motion of water Nanodroplets in Carbon Nanotubes

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Koumoutsakos, Petros

    2008-01-01

    tension (Marangoni effect), pressure gradients, and thermophoresis. Hence, electrophoresis has been used for driving electrically charged particles in nanosystems and gradients in the surface tension have been exploited to drive flow through carbon nanotubes (CNTs) immersed into a lipid membrane Pressure......Open-ended nanotubes offer unique possibilities as fluid conduits with applications ranging from molecule separation devices in biocatalysis to encapsulation media for drug storage and delivery. Liquids and solids in nanochannels may be driven by electrophoresis, osmosis, gradients in the surface...

  4. Stimulated phase-shift acoustic nanodroplets enhance vancomycin efficacy against methicillin-resistant Staphylococcus aureus biofilms.

    Science.gov (United States)

    Guo, Hao; Wang, Ziming; Du, Quanyin; Li, Pan; Wang, Zhigang; Wang, Aimin

    2017-01-01

    Bacterial biofilms on the surface of prostheses are becoming a rising concern in managing prosthetic joint infections. The inherent resistant features of biofilms render traditional antimicrobial therapy unproductive and revision surgery outcomes uncertain. This situation has prompted the exploration of novel antimicrobial strategies. The synergy of ultrasound microbubbles and vancomycin has been proposed as an efficient alternative for biofilm eradication. The purpose of this study was to evaluate the anti-biofilm effect of stimulated phase-shift acoustic nanodroplets (NDs) combined with vancomycin. We fabricated lipid phase-shift NDs with a core of liquid perfluoropentane. A new phase change mode for NDs incorporating an initial unfocused low-intensity pulsed ultrasound for 5 minutes and a subsequent incubation at 37°C into a 24-hour duration was developed. Methicillin-resistant Staphylococcus aureus (MRSA) biofilms were incubated with vancomycin and NDs under the hybrid stimulation. Biofilm morphology following treatment was determined using confocal laser scanning microscopy and scanning electron microscopy. Resazurin assay was used to quantify bactericidal efficacy against MRSA biofilm bacteria. NDs treated sequentially with ultrasound and heating at 37°C achieved gradual and substantial ND vaporization and cavitation in a successive process. NDs after stimulation were capable of generating stronger destruction on biofilm structure which was best characterized by residual circular arc margins and more dead bacteria. Furthermore, NDs combined with vancomycin contributed to significantly decreasing the metabolic activity of bacteria in MRSA biofilms (PPhase-shift acoustic NDs could exert a significant bactericidal effect against MRSA biofilms through a new stimulation mode. Acoustic NDs present advantages over microbubbles for biofilm damage. This anti-biofilm strategy could be used either alone or as an enhancer of traditional antibiotics in the control of

  5. Concurrent anti-vascular therapy and chemotherapy in solid tumors using drug-loaded acoustic nanodroplet vaporization.

    Science.gov (United States)

    Ho, Yi-Ju; Yeh, Chih-Kuang

    2017-02-01

    Drug-loaded nanodroplets (NDs) can be converted into gas bubbles through ultrasound (US) stimulation, termed acoustic droplet vaporization (ADV), which provides a potential strategy to simultaneously induce vascular disruption and release drugs for combined physical anti-vascular therapy and chemotherapy. Doxorubicin-loaded NDs (DOX-NDs) with a mean size of 214nm containing 2.48mg DOX/mL were used in this study. High-speed images displayed bubble formation and cell debris, demonstrating the reduction in cell viability after ADV. Intravital imaging provided direct visualization of disrupted tumor vessels (vessel size chemotherapy with DOX-NDs vaporization promotes uniform treatment to improve therapeutic efficacy. Tumor vasculature plays an important role for tumor cell proliferation by transporting oxygen and nutrients. Previous studies combined anti-vascular therapy and drug release to inhibit tumor growth by ultrasound-stimulated microbubble destruction or acoustic droplet vaporization. Although the efficacy of combined therapy has been demonstrated; the relative spatial distribution of vascular disruption, drug delivery, and accompanied immune responses within solid tumors was not discussed clearly. Herein, our study used drug-loaded nanodroplets to combined physical anti-vascular and chemical therapy. The in vitro cytotoxicity, intravital imaging, and histological assessment were used to evaluate the temporal and spatial cooperation between physical and chemical effect. These results revealed some evidences for complementary action to explain the high efficacy of tumor inhibition by combined therapy. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  6. Confinement for More Space

    DEFF Research Database (Denmark)

    Kipnusu, Wycliffe K.; Elsayed, Mohamed; Kossack, Wilhelm

    2015-01-01

    Broadband dielectric spectroscopy and positron annihilation lifetime spectroscopy are employed to study the molecular dynamics and effective free volume of 2-ethyl-1-hexanol (2E1H) in the bulk state and when confined in unidirectional nanopores with average diameters of 4, 6, and 8 nm. Enhanced α...

  7. Confinement at Large Nc

    NARCIS (Netherlands)

    Hooft, G. 't

    2004-01-01

    A discussion is given of the confinement mechanism in terms of the Abelian projection scheme, for a general number Nc of colors. There is a difficulty in the Nc to infinity limit that requires a careful treatment, as the charges of the condensing magnetic monopoles tend to infinity. We suggest that

  8. Growing instead of confining

    Science.gov (United States)

    Sun, Yang-Kook; Yoon, Chong Seung

    2017-10-01

    Confining sulfur in high-surface-area carbon is a widely adapted approach in Li-S batteries, but it often results in low sulfur utilization and low energy density. Now, controlled nucleation of discrete Li2S particles on a network of low-surface-area carbon fibres provides a possible solution to the endemic problems of Li-S batteries.

  9. Polymers under Cylindrical Confinement

    Science.gov (United States)

    Russell, Thomas

    2009-03-01

    Anodized alumina oxide (AAO) membranes offer a unique platform to investigate polymers under confinement. AAO membranes have been prepared where the diameters of the nanopores in the membrane have been varied from 8 to 50 nm by varying the anodization conditions. Capillary force is sufficiently large to draw high molecular weight polymers into the membrane, producing either nanotubes or nanorods. Polymer solutions can also be used place a thin film on the walls of the nanopores, forming nanotubes. With pore diameters less than the radius of gyration, a quantitative understanding of perturbations to chain dynamics due to geometric constraints was examined. We found a weak molecular weight-dependent mobility of polymers confined within AAO nanopores having diameters smaller than the dimension of the chains in the bulk. The measured mobility of polymers in the confined geometry was much higher than the mobility of the unconfined chain. Rayleigh instabilities in thin polymer films confined within nanoporous alumina membranes were also found where periodic undulations on the film surface were found to increase with time, eventually bridging across the cylindrical nanopore, resulting in the formation of polymer nanorods with a periodic array of encapsulated holes. With microphase separated block copolymers, where the characteristic period of the BCP morphology is comparable to the pore diameter, significant deviations from the bulk morphology as revealed by electron tomography. Small angle neutron scattering was also used to investigate the influence of cylindrical confinement on the order-to-disordered transition. This work was done in collaboration with T. J. McCarthy (UMass), K. Shin (Seoul National University), H. Jinnai (Kyoto University), D. Chen, J. Chen, H. Xiang, T. Kim, and P. Dobriyal, and was supported by the DOE, NSF MRSEC, NSF CHM.

  10. Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube

    National Research Council Canada - National Science Library

    Nomura, Kentaro; Kaneko, Toshihiro; Bai, Jaeil; Francisco, Joseph S; Yasuoka, Kenji; Zeng, Xiao Cheng

    2017-01-01

    Possible transition between two phases of supercooled liquid water, namely the low- and high-density liquid water, has been only predicted to occur below 230 K from molecular dynamics (MD) simulation...

  11. Inertial Confinement fusion targets

    Science.gov (United States)

    Hendricks, C. D.

    1982-01-01

    Inertial confinement fusion (ICF) targets are made as simple flat discs, as hollow shells or as complicated multilayer structures. Many techniques were devised for producing the targets. Glass and metal shells are made by using drop and bubble techniques. Solid hydrogen shells are also produced by adapting old methods to the solution of modern problems. Some of these techniques, problems, and solutions are discussed. In addition, the applications of many of the techniques to fabrication of ICF targets is presented.

  12. Confinement for Active Objects

    OpenAIRE

    Florian Kammuller

    2014-01-01

    In this paper, we provide a formal framework for the security of distributed active objects. Active objects com-municate asynchronously implementing method calls via futures. We base the formal framework on a security model that uses a semi-lattice to enable multi-lateral security crucial for distributed architectures. We further provide a security type system for the programming model ASPfun of functional active objects. Type safety and a confinement property are presented. ASPfun thus reali...

  13. Influence of confining layers' heterogeneity on the barometric response functions in semi-confined aquifers

    Science.gov (United States)

    Redaelli, Marco; Perulero Serrano, Raul

    2017-04-01

    It has been shown that Barometric Response Functions (BRFs) can provide a useful tool for detecting the occurrence of highly conducive bodies which span across aquifer confining layers and can potentially give rise to pathways for pollutant migration (Hussein et al 2013, Odling et al 2015). Analytical models employed to estimate BRFs from geological system properties assume homogeneity within the aquifer and its confining layer. These assumptions are rarely satisfied in practice. Our study focusses on the impact on predicted BRFs of heterogeneous distribution of high conductivity geomaterials within the confining layer. The work is grounded on a suite of three-dimensional, transient numerical computations of groundwater flow in a confining layer-aquifer system for i) a perfectly homogeneous two-layer setting where a single highly conducive block is fully penetrating the confining layer and ii) a heterogeneous two-layer system where hydraulic conductivity in the confining layer is modelled as a stochastic process. Our numerical results are interpreted through a comparison against those associated with an analytical model which assumes system homogeneity. Monitoring points located in the middle of the modelled aquifer domain, mimicking screened boreholes in field conditions, are used to extract water level records. The output is used to obtain the corresponding BRFs (in terms of gain and phase components) and compared vis-a-vis the selected analytical solution. The results show a wide variety of BRF responses, especially in the gain component, which vary from almost confined to unconfined scenarios. Our simulations show that the BRFs are a viable tool to improve understanding of the degree of spatial continuity within low permeability heterogeneous geological materials such as glacial till which is frequently found overlying water bearing units across the UK and other localities worldwide. As such, it has the potential to improve groundwater vulnerability assessment

  14. Wells measured for water-levels, unconfined and confined aquifers, Wood River Valley aquifer system, south-central Idaho, October 2006 and October 2012.

    Data.gov (United States)

    Department of the Interior — Water levels in 93 wells completed in the Wood River Valley aquifer system were measured during October 22–24, 2012; these wells are part of a network established...

  15. Confinement Contains Condensates

    Energy Technology Data Exchange (ETDEWEB)

    Brodsky, Stanley J.; Roberts, Craig D.; Shrock, Robert; Tandy, Peter C.

    2012-03-12

    Dynamical chiral symmetry breaking and its connection to the generation of hadron masses has historically been viewed as a vacuum phenomenon. We argue that confinement makes such a position untenable. If quark-hadron duality is a reality in QCD, then condensates, those quantities that have commonly been viewed as constant empirical mass-scales that fill all spacetime, are instead wholly contained within hadrons; i.e., they are a property of hadrons themselves and expressed, e.g., in their Bethe-Salpeter or light-front wave functions. We explain that this paradigm is consistent with empirical evidence, and incidentally expose misconceptions in a recent Comment.

  16. Working under confinement

    Science.gov (United States)

    Malgaretti, P.; Pagonabarraga, I.; Rubi, J. M.

    2014-12-01

    We analyze the performance of a Brownian ratchet in the presence of geometrical constraints. A two-state model that describes the kinetics of molecular motors is used to characterize the energetic cost when the motor proceeds under confinement, in the presence of an external force. We show that the presence of geometrical constraints has a strong effect on the performance of the motor. In particular, we show that it is possible to enhance the ratchet performance by a proper tuning of the parameters characterizing the environment. These results open the possibility of engineering entropically-optimized transport devices.

  17. Hadrosynthesis and Quark Confinement

    Directory of Open Access Journals (Sweden)

    Satz Helmut

    2014-04-01

    Full Text Available Multihadron production in high energy collisions, from e+e− annihilation to heavy ion interactions, shows remarkable thermal behaviour, specified by a universal “Hagedorn” temperature. We argue that this hadronic radiation is formed by tunnelling through the event horizon of colour confinement, i.e., that it is the QCD counterpart of Hawking-Unruh radiation from black holes. It is shown to be emitted at a universal temperature TH ≃ (σ/2π1/2, where σ denotes the string tension. Since the event horizon does not allow information transfer, the radiation is thermal “at birth”.

  18. Confinement and 4-manifolds

    CERN Multimedia

    CERN. Geneva

    2014-01-01

    In this talk I will survey a connection between two very challenging problems, one in physics and one in math. The physics problem involves quantitative understanding of confinement in a system with least amount of supersymmetry that has been studied so far and that has a wide range of applications, from semi-realistic string models to qualitatively new examples of gauge-gravity duality. Surprisingly, the rich physics of this system translates into incredibly rich mathematics of the only remaining unsolved case of the Poincare conjecture.

  19. Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube.

    Science.gov (United States)

    Nomura, Kentaro; Kaneko, Toshihiro; Bai, Jaeil; Francisco, Joseph S; Yasuoka, Kenji; Zeng, Xiao Cheng

    2017-04-18

    Possible transition between two phases of supercooled liquid water, namely the low- and high-density liquid water, has been only predicted to occur below 230 K from molecular dynamics (MD) simulation. However, such a phase transition cannot be detected in the laboratory because of the so-called "no-man's land" under deeply supercooled condition, where only crystalline ices have been observed. Here, we show MD simulation evidence that, inside an isolated carbon nanotube (CNT) with a diameter of 1.25 nm, both low- and high-density liquid water states can be detected near ambient temperature and above ambient pressure. In the temperature-pressure phase diagram, the low- and high-density liquid water phases are separated by the hexagonal ice nanotube (hINT) phase, and the melting line terminates at the isochore end point near 292 K because of the retracting melting line from 292 to 278 K. Beyond the isochore end point (292 K), low- and high-density liquid becomes indistinguishable. When the pressure is increased from 10 to 600 MPa along the 280-K isotherm, we observe that water inside the 1.25-nm-diameter CNT can undergo low-density liquid to hINT to high-density liquid reentrant first-order transitions.

  20. Polymer Conformation under Confinement

    Directory of Open Access Journals (Sweden)

    Stavros Bollas

    2017-02-01

    Full Text Available The conformation of polymer chains under confinement is investigated in intercalated polymer/layered silicate nanocomposites. Hydrophilic poly(ethylene oxide/sodium montmorillonite, PEO/Na+-MMT, hybrids were prepared utilizing melt intercalation with compositions where the polymer chains are mostly within the ~1 nm galleries of the inorganic material. The polymer chains are completely amorphous in all compositions even at temperatures where the bulk polymer is highly crystalline. Attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR is utilized to investigate the conformation of the polymer chains over a broad range of temperatures from below to much higher than the bulk polymer melting temperature. A systematic increase of the gauche conformation relatively to the trans is found with decreasing polymer content both for the C–C and the C–O bonds that exist along the PEO backbone indicating that the severe confinement and the proximity to the inorganic surfaces results in a more disordered state of the polymer.

  1. India Ink Incorporated Multifunctional Phase-transition Nanodroplets for Photoacoustic/Ultrasound Dual-modality Imaging and Photoacoustic Effect Based Tumor Therapy

    OpenAIRE

    Jian, Jia; Liu, Chengbo; Gong, Yuping; Su, Lei; Zhang, Bin; Wang, Zhigang; wang, Dong; Zhou, Yu; Xu, Fenfen; Li, Pan; Zheng, Yuanyi; Song, Liang; Zhou, Xiyuan

    2014-01-01

    The in vivo applications of gas-core microbubbles have been limited by gas diffusion, rapid body clearance, and poor vascular permeability. To overcome these limitations, using a modified three-step emulsion process, we have developed a first-of-its-kind India ink incorporated optically-triggerable phase-transition perfluorocarbon nanodroplets (INDs) that can provide not only three types of contrast mechanisms—conventional/thermoelastic photoacoustic, phase-transition/nonlinear photoacoustic,...

  2. India ink incorporated multifunctional phase-transition nanodroplets for photoacoustic/ultrasound dual-modality imaging and photoacoustic effect based tumor therapy.

    Science.gov (United States)

    Jian, Jia; Liu, Chengbo; Gong, Yuping; Su, Lei; Zhang, Bin; Wang, Zhigang; Wang, Dong; Zhou, Yu; Xu, Fenfen; Li, Pan; Zheng, Yuanyi; Song, Liang; Zhou, Xiyuan

    2014-01-01

    The in vivo applications of gas-core microbubbles have been limited by gas diffusion, rapid body clearance, and poor vascular permeability. To overcome these limitations, using a modified three-step emulsion process, we have developed a first-of-its-kind India ink incorporated optically-triggerable phase-transition perfluorocarbon nanodroplets (INDs) that can provide not only three types of contrast mechanisms-conventional/thermoelastic photoacoustic, phase-transition/nonlinear photoacoustic, and ultrasound imaging contrasts, but also a new avenue for photoacoustic effect mediated tumor therapy. Upon pulsed laser illumination above a relatively low energy threshold, liquid-gas phase transition of the INDs has been demonstrated both in vitro and in vivo, offering excellent contrasts for photoacoustic and ultrasound dual-modality imaging. With further increased laser energy, the nanodroplets have been shown to be capable of destructing cancer cells in vivo, presumably due to the photoacoustic effect induced shock-wave generation from the carbon particles of the incorporated India ink. The demonstrated results suggest that the developed multifunctional phase-transition nanodroplets have a great potential for many theranostic biomedical applications, including photoacoustic/ultrasound dual-modality molecular imaging and targeted, localized cancer therapy.

  3. A Model of Ball Lightning as a Formation of Water Molecules Confining an Electric Charge and the Classical Theory of the Electron

    Science.gov (United States)

    Tennakone, K.

    2012-04-01

    Ball lightning or faintly luminous floating spheres with radii of the order of ten centimeters appearing transiently in air notably during stormy weather continue to remain an unresolved phenomenon. It is suggested that these objects are organized structures constituted of an electrically charged spherical thin shell of electro-frozen dipole oriented water molecules carrying an electric charge, balanced by the internal negative pressure and outward electrostatic stress. A model presented, resembling the classical theory of the electron with Poincare stresses explain almost all observed attributes of this phenomenon. The possibility of realizing macroscopic spherical surface charge distributions in the vacuum and their implication on the problem of electron are commented.

  4. Degraded Confinement in Tokamak Experiments

    NARCIS (Netherlands)

    Schüller, F. C.

    1994-01-01

    After a review on the state of tokamak transport theory, the methodology to derive experimental results will be described. Examples of confinement in ohmic plasmas and the deterioration with additional heating will be given. Some examples of improved confinement modes will be discussed. Fluctuation

  5. Dynamics of Liquids Confined in Porous Materials

    DEFF Research Database (Denmark)

    Berg, Marcella Cabrera

    to the understanding of the nature of the hydration in the GIC and can be applied towards the development and improvement of dental restorative materials. Furthermore, two manuscripts regarding water and protein dynamics in confinement probed by quasi-elastic neutron scattering are also included in the thesis, Paper 3...... and Paper 4. In Paper 3 we investigated why two chalk samples display vastly different water uptake, despite the fact that they are known to have similar pore volumes. In Paper 4 we investigated the dynamics of encapsulated Hepatitis B surface antigen in mesoporous silica SBA-15. My knowledge of liquids...

  6. Gravitationally confined relativistic neutrinos

    Science.gov (United States)

    Vayenas, C. G.; Fokas, A. S.; Grigoriou, D.

    2017-09-01

    Combining special relativity, the equivalence principle, and Newton’s universal gravitational law with gravitational rather than rest masses, one finds that gravitational interactions between relativistic neutrinos with kinetic energies above 50 MeV are very strong and can lead to the formation of gravitationally confined composite structures with the mass and other properties of hadrons. One may model such structures by considering three neutrinos moving symmetrically on a circular orbit under the influence of their gravitational attraction, and by assuming quantization of their angular momentum, as in the Bohr model of the H atom. The model contains no adjustable parameters and its solution, using a neutrino rest mass of 0.05 eV/c2, leads to composite state radii close to 1 fm and composite state masses close to 1 GeV/c2. Similar models of relativistic rotating electron - neutrino pairs give a mass of 81 GeV/c2, close to that of W bosons. This novel mechanism of generating mass suggests that the Higgs mass generation mechanism can be modeled as a latent gravitational field which gets activated by relativistic neutrinos.

  7. Inertial confinement fusion

    Energy Technology Data Exchange (ETDEWEB)

    Powers, L.; Condouris, R.; Kotowski, M.; Murphy, P.W. (eds.)

    1992-01-01

    This issue of the ICF Quarterly contains seven articles that describe recent progress in Lawrence Livermore National Laboratory's ICF program. The Department of Energy recently initiated an effort to design a 1--2 MJ glass laser, the proposed National Ignition Facility (NIF). These articles span various aspects of a program which is aimed at moving forward toward such a facility by continuing to use the Nova laser to gain understanding of NIF-relevant target physics, by developing concepts for an NIF laser driver, and by envisioning a variety of applications for larger ICF facilities. This report discusses research on the following topics: Stimulated Rotational Raman Scattering in Nitrogen; A Maxwell Equation Solver in LASNEX for the Simulation of Moderately Intense Ultrashort Pulse Experiments; Measurements of Radial Heat-Wave Propagation in Laser-Produced Plasmas; Laser-Seeded Modulation Growth on Directly Driven Foils; Stimulated Raman Scattering in Large-Aperture, High-Fluence Frequency-Conversion Crystals; Fission Product Hazard Reduction Using Inertial Fusion Energy; Use of Inertial Confinement Fusion for Nuclear Weapons Effects Simulations.

  8. BY FRUSTUM CONFINING VESSEL

    Directory of Open Access Journals (Sweden)

    Javad Khazaei

    2016-09-01

    Full Text Available Helical piles are environmentally friendly and economical deep foundations that, due to environmental considerations, are excellent additions to a variety of deep foundation alternatives available to the practitioner. Helical piles performance depends on soil properties, the pile geometry and soil-pile interaction. Helical piles can be a proper alternative in sensitive environmental sites if their bearing capacity is sufficient to support applied loads. The failure capacity of helical piles in this study was measured via an experimental research program that was carried out by Frustum Confining Vessel (FCV. FCV is a frustum chamber by approximately linear increase in vertical and lateral stresses along depth from top to bottom. Due to special geometry and applied bottom pressure, this apparatus is a proper choice to test small model piles which can simulate field stress conditions. Small scale helical piles are made with either single helix or more helixes and installed in fine grained sand with three various densities. Axial loading tests including compression and tension tests were performed to achieve pile ultimate capacity. The results indicate the helical piles behavior depends essentially on pile geometric characteristics, i.e. helix configuration and soil properties. According to the achievements, axial uplift capacity of helical model piles is about equal to usual steel model piles that have the helixes diameter. Helical pile compression bearing capacity is too sufficient to act as a medium pile, thus it can be substituted other piles in special geoenvironmental conditions. The bearing capacity also depends on spacing ratio, S/D, and helixes diameter.

  9. High resolution electron microscopy of Ag-clusters in crystalline and non-crystalline morphologies grown inside superfluid helium nanodroplets.

    Science.gov (United States)

    Volk, Alexander; Thaler, Philipp; Koch, Markus; Fisslthaler, Evelin; Grogger, Werner; Ernst, Wolfgang E

    2013-06-07

    We present a first investigation of structural properties of Ag clusters with a diameter of up to 5.5 nm grown inside superfluid helium nanodroplets (He(N)) and deposited on an amorphous C surface. With high resolution transmission electron microscope images we are able to show that in addition to the crystalline face centered cubic (fcc) structure, noncrystalline icosahedral (Ih), and decahedral (Dh) morphologies are grown. Relative abundances (56% fcc, 31% Dh, and 13% Ih) as well as the size distribution of each morphology (mean diameters d(fcc)=2.62(5) nm, d(Dh)=3.34(7) nm, and d(Ih)=3.93(2) nm) do not reflect the situation expected from pure energetic considerations, where small Ihs should be followed by medium sized Dhs and large fccs. Instead, kinetic factors seem to play an important role in the formation of these structures, as it appears to be the case for clusters formed by inert gas aggregation. Considering the low temperatures (0.37 K) and extremely high cooling rates, we discuss basic ideas that might lead to a qualitative picture of the cluster formation process inside He(N).

  10. Oxygen-Loaded Nanodroplets Effectively Abrogate Hypoxia Dysregulating Effects on Secretion of MMP-9 and TIMP-1 by Human Monocytes

    Directory of Open Access Journals (Sweden)

    Giulia Rossana Gulino

    2015-01-01

    Full Text Available Monocytes play a key role in the inflammatory stage of the healing process. To allow monocyte migration to injured tissues, the balances between secreted matrix metalloproteinases (MMPs and their inhibitors (TIMPs must be finely modulated. However, a reduction of blood supply and local oxygen tension can modify the phenotype of immune cells. Intriguingly, hypoxia might be targeted by new effective oxygenating devices such as 2H,3H-decafluoropentane- (DFP- based oxygen-loaded nanodroplets (OLNs. Here, hypoxia effects on gelatinase/TIMP release from human peripheral monocytes were investigated, and the therapeutic potential of dextran-shelled OLNs was evaluated. Normoxic monocytes constitutively released ~500 ng/mL MMP-9, ~1.3 ng/mL TIMP-1, and ~0.6 ng/mL TIMP-2 proteins. MMP-2 was not detected. After 24 hours, hypoxia significantly altered MMP-9/TIMP-1 balance by reducing MMP-9 and increasing TIMP-1, without affecting TIMP-2 secretion. Interestingly OLNs, not displaying toxicity to human monocytes after cell internalization, effectively counteracted hypoxia, restoring a normoxia-like MMP-9/TIMP-1 ratio. The action of OLNs was specifically dependent on time-sustained oxygen diffusion up to 24 h from their DFP-based core. Therefore, OLNs appear as innovative, nonconventional, cost-effective, and nontoxic therapeutic tools, to be potentially employed to restore the physiological invasive phenotype of immune cells in hypoxia-associated inflammation.

  11. Confining Strings with Topological Term

    CERN Document Server

    Diamantini, M Cristina; Trugenberger, Carlo Andrea

    1997-01-01

    We consider several aspects of `confining strings', recently proposed to describe the confining phase of gauge field theories. We perform the exact duality transformation that leads to the confining string action and show that it reduces to the Polyakov action in the semiclassical approximation. In 4D we introduce a `$\\theta$-term' and compute the low-energy effective action for the confining string in a derivative expansion. We find that the coefficient of the extrinsic curvature (stiffness) is negative, confirming previous proposals. In the absence of a $\\theta$-term, the effective string action is only a cut-off theory for finite values of the coupling e, whereas for generic values of $\\theta$, the action can be renormalized and to leading order we obtain the Nambu-Goto action plus a topological `spin' term that could stabilize the system.

  12. Alternative approaches to plasma confinement

    Science.gov (United States)

    Roth, J. R.

    1978-01-01

    The paper discusses 20 plasma confinement schemes each representing an alternative to the tokamak fusion reactor. Attention is given to: (1) tokamak-like devices (TORMAC, Topolotron, and the Extrap concept), (2) stellarator-like devices (Torsatron and twisted-coil stellarators), (3) mirror machines (Astron and reversed-field devices, the 2XII B experiment, laser-heated solenoids, the LITE experiment, the Kaktus-Surmac concept), (4) bumpy tori (hot electron bumpy torus, toroidal minimum-B configurations), (5) electrostatically assisted confinement (electrostatically stuffed cusps and mirrors, electrostatically assisted toroidal confinement), (6) the Migma concept, and (7) wall-confined plasmas. The plasma parameters of the devices are presented and the advantages and disadvantages of each are listed.

  13. Impurities confined in quantum structures

    CERN Document Server

    Holtz, Per Olof

    2004-01-01

    The introduction of impurities, even in very small concentrations, in a semiconductor can change its optical and electrical properties entirely. This attribute of the semiconductor is utilized in the manifoldness of their applications. In this book, the progress on elucidating the physical properties of impurities confined in quantum structures are reviewed with an emphasis on the experimental aspects. The major results of various kinds of characterization, such as infrared spectroscopy, Raman measurements, luminescence characterization, perturbation spectroscopy and dynamical studies of the confined impurities are reviewed, but also the theoretical basis to calculate the electronic structure of the confined donors and acceptors are presented. This monograph also describes more specific aspects of the confined impurities such as the properties in the high doping regime and the effects of hydrogen passivation.

  14. Chitosan-shelled oxygen-loaded nanodroplets abrogate hypoxia dysregulation of human keratinocyte gelatinases and inhibitors: New insights for chronic wound healing

    Energy Technology Data Exchange (ETDEWEB)

    Khadjavi, Amina [Dipartimento di Neuroscienze, Università di Torino, Torino (Italy); Magnetto, Chiara [Istituto Nazionale di Ricerca Metrologica (INRIM), Torino (Italy); Panariti, Alice [Dipartimento di Scienze della Salute, Università di Milano Bicocca, Monza (Italy); Argenziano, Monica [Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Torino (Italy); Gulino, Giulia Rossana [Dipartimento di Oncologia, Università di Torino, Torino (Italy); Rivolta, Ilaria [Dipartimento di Scienze della Salute, Università di Milano Bicocca, Monza (Italy); Cavalli, Roberta [Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Torino (Italy); Giribaldi, Giuliana [Dipartimento di Oncologia, Università di Torino, Torino (Italy); Guiot, Caterina [Dipartimento di Neuroscienze, Università di Torino, Torino (Italy); Prato, Mauro, E-mail: mauro.prato@unito.it [Dipartimento di Neuroscienze, Università di Torino, Torino (Italy); Dipartimento di Scienze della Sanità Pubblica e Pediatriche, Università di Torino, Torino (Italy)

    2015-08-01

    Background: : In chronic wounds, efficient epithelial tissue repair is hampered by hypoxia, and balances between the molecules involved in matrix turn-over such as matrix metalloproteinases (MMPs) and tissue inhibitors of metalloproteinases (TIMPs) are seriously impaired. Intriguingly, new oxygenating nanocarriers such as 2H,3H-decafluoropentane-based oxygen-loaded nanodroplets (OLNs) might effectively target chronic wounds. Objective: : To investigate hypoxia and chitosan-shelled OLN effects on MMP/TIMP production by human keratinocytes. Methods: : HaCaT cells were treated for 24 h with 10% v/v OLNs both in normoxia or hypoxia. Cytotoxicity and cell viability were measured through biochemical assays; cellular uptake by confocal microscopy; and MMP and TIMP production by enzyme-linked immunosorbent assay or gelatin zymography. Results: : Normoxic HaCaT cells constitutively released MMP-2, MMP-9, TIMP-1 and TIMP-2. Hypoxia strongly impaired MMP/TIMP balances by reducing MMP-2, MMP-9, and TIMP-2, without affecting TIMP-1 release. After cellular uptake by keratinocytes, nontoxic OLNs abrogated all hypoxia effects on MMP/TIMP secretion, restoring physiological balances. OLN abilities were specifically dependent on time-sustained oxygen diffusion from OLN core. Conclusion: : Chitosan-shelled OLNs effectively counteract hypoxia-dependent dysregulation of MMP/TIMP balances in human keratinocytes. Therefore, topical administration of exogenous oxygen, properly encapsulated in nanodroplet formulations, might be a promising adjuvant approach to promote healing processes in hypoxic wounds. - Highlights: • Hypoxia impairs MMP9/TIMP1 and MMP2/TIMP2 balances in HaCaT human keratinocytes. • Chitosan-shelled oxygen-loaded nanodroplets (OLNs) are internalised by HaCaT cells. • OLNs are not toxic to HaCaT cells. • OLNs effectively counteract hypoxia effects on MMP/TIMP balances in HaCaT cells. • OLNs appear as promising and cost-effective therapeutic tools for hypoxic

  15. Reatividade animal Confinement reactivity

    Directory of Open Access Journals (Sweden)

    Walsiara Estanislau Maffei

    2009-07-01

    Full Text Available A reatividade é definida como a reação do animal quando contido num ambiente de contenção móvel. Ela é quantificada por meio do teste de reatividade animal em ambiente de contenção móvel - REATEST®. Este teste consiste num dispositivo eletrônico acoplado à balança e num software específico. O dispositivo capta a movimentação que o animal provoca na balança, durante 20 segundos e a envia para o software que a processa determinando a reatividade do animal numa escala contínua de pontos. Pontuações maiores são de animais mais reativos (mais agressivo. A reatividade foi criada com os objetivos de solucionar os problemas até então existentes na seleção para temperamento e de permitir estimação de parâmetros genéticos mais confiáveis. Ela é uma característica objetiva que tem grande variabilidade fenotípica e é de quantificação rápida, fácil e segura, além de poder ser quantificada em qualquer tipo de balança, o que permite maior aplicabilidade. Ela não interfere nas práticas de manejo das fazendas porque é quantificada no momento da pesagem dos animais. Sua herdabilidade na raça Nelore é de 0,39 ao ano e 0,23 ao sobreano e suas correlações genéticas com ganho de peso diário são de -0,28 do nascimento até desmama e de -0,49 do desmame até ano. Já suas correlações genéticas com desenvolvimento do perímetro escrotal do ano ao sobreano variam de -0,25 e -0,41.The confinement reactivity (CR has been used as a measure of temperament in Brazil and it is defined as the animal reaction when contained in the scale. It is quantified through the animal reactivity test - REATEST®. This test consists of an electronic device coupled to the scale and of specific software. The device captures the movement that the animal provokes in the scale, during 20 seconds and sends it for the software that processes this movement and determines the animal CR in a continuous scale of points. Higher punctuations belong to

  16. Ice-Confined Basaltic Lava Flows: Review and Discussion

    Science.gov (United States)

    Skilling, I.; Edwards, B. R.

    2012-12-01

    Basaltic lavas that are interpreted as having been emplaced in subglacial or ice-confined subaerial settings are known from several localities in Iceland, British Columbia and Antarctica. At least four different types of observations have been used to date to identify emplacement of basaltic lavas in an ice-rich environment: i) gross flow morphology, ii) surface structures, iii) evidence for ice-confined water during emplacement, and iv) lava fracture patterns. Five types of ice-confined lava are identified: sheets, lobes, mounds, linear ridges and sinuous ridges. While the appearance of lavas is controlled by the same factors as in the submarine environment, such as the geometry and configuration of vents and lava tubes, flow rheology and rates, and underlying topography, the presence of ice can lead to distinct features that are specific to the ice-confined setting. Other types have very similar or identical equivalents in submarine environment, albeit with some oversteepening/ice contact surfaces. Ice-confined lavas can form as (1) subaerial or subaqueous lavas emplaced against ice open to the air, (2) subaqueous lavas emplaced into pre-existing sub-ice drainage networks, and (3) subaqueous lavas emplaced into ponded water beneath ice. Their surface structures reflect the relationship between rates of lava flow emplacement at the site of ice-water-lava contact, ice melting and water drainage. Variations in local lava flow rates could be due to lava cooling, constriction, inflation, tube development, ice melting, ice collapse, lava collapse, changes in eruption rate etc. Episodes of higher lava flow rate would favour direct ice contact and plastic compression against the ice, generating oversteepened and/or overthickened chilled margins, cavities in the lava formed by melting of enveloped ice blocks (cryolith cavities) and structures such as flattened pillows and lava clasts embedded into the glassy margins. Melting back of the confining ice generates space to

  17. Sandpile model with tokamaklike enhanced confinement phenomenology.

    Science.gov (United States)

    Chapman, S C; Dendy, R O; Hnat, B

    2001-03-26

    Confinement phenomenology characteristic of magnetically confined plasmas emerges naturally from a simple sandpile algorithm when the parameter controlling redistribution scale length is varied. Close analogs are found for enhanced confinement, edge pedestals, and edge localized modes (ELMs), and for the qualitative correlations between them. These results suggest that tokamak observations of avalanching transport are deeply linked to the existence of enhanced confinement and ELMs.

  18. Quantum hydrodynamic model for the enhanced moments of inertia of molecules in helium nanodroplets: Application to SF6

    Science.gov (United States)

    Lehmann, Kevin K.; Callegari, Carlo

    2002-07-01

    The increase in moment of inertia, DeltaI, of SF6 in helium nanodroplets is calculated using the quantum hydrodynamic approach [Callegari [et al.], Phys. Rev. Lett. 83, 5058 (1999); 84, 1848 (2000)], which we extend here to an explicit three-dimensional treatment. Three plausible helium densities are reconstructed by interpolation of previously published "density cuts" in terms of an expansion into cubic harmonics (several interpolation strategies are presented). This allows us to predict a value of DeltaI that ranges from as low as 30 u[middle dot]A2 to as high as 318 u[middle dot]A2. The lower limit reproduces the prediction of Kwon [et al.] [J. Chem. Phys. 113, 6469 (2000)], who use the same hydrodynamic model and an unpublished density based upon a Path Integral Monte Carlo calculation. These values can be compared with the experimentally measured DeltaI (310plus-or-minus10 u[middle dot]A2) for large (N[greater-than-or-equal, slanted]103 He atoms), and with Fixed Node, Diffusion Monte Carlo calculations by Lee, Farrelly, and Whaley [Phys. Rev. Lett. 83, 3812 (1999)], which found DeltaI=290-305 u[middle dot]A2 for N=8-20 helium atoms. The present results show that the value of DeltaI obtained from the hydrodynamic model is quite sensitive to physically reasonable variations in the helium density; therefore one has to be careful as to which density to use. Because the model is based upon the assumption that the helium is in the ground "quasienergy" state of the helium-molecule time-dependent potential, we propose that calculations should be done using densities calculated at 0 K rather than at finite temperature. We have extended our original algorithm to also handle irregular boundaries. We find that in the present case the calculated value of DeltaI only changes by a few percent.

  19. Helium nanodroplet isolation and infrared spectroscopy of the isolated ion-pair 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide.

    Science.gov (United States)

    Obi, Emmanuel I; Leavitt, Christopher M; Raston, Paul L; Moradi, Christopher P; Flynn, Steven D; Vaghjiani, Ghanshyam L; Boatz, Jerry A; Chambreau, Steven D; Douberly, Gary E

    2013-09-19

    The ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide was vaporized at 420 K, and the ion-pair constituents were entrained in a beam of liquid He nanodroplets and cooled to 0.4 K. The vapor pressure was optimized such that each He droplet picked up a single ion-pair from the gas phase. Infrared spectroscopy in the CH stretch region reveals bands that are assigned to intact ion-pairs on the basis of comparisons to ab initio harmonic frequency computations of 23 low energy isomers. The He droplet spectrum is consistent with a weighted sum of the computed harmonic spectra, in which the weights are determined from ab initio computations of the relative free energies at 420 K. Anharmonic resonance polyads in the CH stretch region are treated explicitly, which improves the agreement between the experiment and computed spectra for ion-pairs. For isomers having a strong cation···anion hydrogen bonding interaction, the imidazolium C(2)-H stretch fundamental is shifted to lower energy and into resonance with the overtones and combination bands of the imidazolium ring stretching modes, resulting in a spectral complexity in the CH stretch region that is fully resolved in the He droplet spectrum. The assignment of the infrared spectrum to ion-pairs is confirmed through polarization spectroscopy measurements that reveal the permanent electric dipole moment of the He-solvated species to be 11 ± 2 D. The computed permanent electric dipole moments for the low energy isomers of the [emim(+)][Tf2N(-)] ion-pairs fall in the range 9-13 D, whereas the computed dipole moments of decomposition products of the ionic liquid are less than 4.3 D.

  20. CORRELATIONS IN CONFINED QUANTUM PLASMAS

    Energy Technology Data Exchange (ETDEWEB)

    DUFTY J W

    2012-01-11

    This is the final report for the project 'Correlations in Confined Quantum Plasmas', NSF-DOE Partnership Grant DE FG02 07ER54946, 8/1/2007 - 7/30/2010. The research was performed in collaboration with a group at Christian Albrechts University (CAU), Kiel, Germany. That collaboration, almost 15 years old, was formalized during the past four years under this NSF-DOE Partnership Grant to support graduate students at the two institutions and to facilitate frequent exchange visits. The research was focused on exploring the frontiers of charged particle physics evolving from new experimental access to unusual states associated with confinement. Particular attention was paid to combined effects of quantum mechanics and confinement. A suite of analytical and numerical tools tailored to the specific inquiry has been developed and employed

  1. Knotted DNA in Nanofluidic Confinement

    Science.gov (United States)

    Klotz, Alexander; Doyle, Patrick

    The behavior of topologically simple semiflexible polymers such as DNA has become well-understood in the last several years. Recently, several computational analyses have predicted that certain topological features of a polymer, such as the average size of pseudo-knots and the probability of knot formation, are enhanced by confinement. Here, we extend recent work on the stretching of knotted DNA and examine diffusion, relaxation, and chain statistics of topologically complex linear DNA molecules. Topological phenomena are studied both in the bulk and under nanofluidic confinement to examine the interplay between knotting and confinement in semiflexible polymers, as well as to provide a controlled experimental interrogation of the knotted region of the polymer.

  2. Calculation of confined swirling jets

    Science.gov (United States)

    Chen, C. P.

    1986-01-01

    Computations of a confined coaxial swirling jet are carried out using a standard two-equation (k-epsilon) model and two modifications of this model based on Richardson-number corrections of the length-scale (epsilon) governing equation. To avoid any uncertainty involved in the setting up of inlet boundary conditions, actual measurements are used at the inlet plane of this calculation domain. The results of the numerical investigation indicate that the k-epsilon model is inadequate for the predictions of confined swirling flows. Although marginal improvement of the flow predictions can be achieved by these two corrections, neither can be judged satisfactory.

  3. Vulnerability of shallow ground water and drinking-water wells to nitrate in the United States: Model of predicted nitrate concentration in U.S. ground water used for drinking (simulation depth 50 meters) -- Input data set for confined manure (gwava-dw_conf)

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the average annual nitrogen input from confined animal manure, 1992 and 1997, in kilograms per hectare, in the conterminous United States....

  4. Turbulent jet in confined counterflow

    Indian Academy of Sciences (India)

    The mean flowfield of a turbulent jet issuing into a confined, uniform counterflow was investigated computationally. Based on dimensional analysis, the jet penetration length was shown to scale with jet-to-counterflow momentum flux ratio. This scaling and the computational results reproduce the well-known correct limit of ...

  5. Turbulent jet in confined counterflow

    Indian Academy of Sciences (India)

    Abstract. The mean flowfield of a turbulent jet issuing into a confined, uniform counterflow was investigated computationally. Based on dimensional analysis, the jet penetration length was shown to scale with jet-to-counterflow momentum flux ratio. This scaling and the computational results reproduce the well-known correct ...

  6. Effective viscosity of confined hydrocarbons

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, V.N.; Persson, B.N.J.

    2012-01-01

    We present molecular dynamics friction calculations for confined hydrocarbon films with molecular lengths from 20 to 1400 carbon atoms. We find that the logarithm of the effective viscosity ηeff for nanometer-thin films depends linearly on the logarithm of the shear rate: log ηeff=C-nlog γ̇, where...

  7. Unstable vortices do not confine

    NARCIS (Netherlands)

    Achúcarro, A.; Roo, M. de; Huiszoon, L.; Landshoff, P.V.

    1998-01-01

    Recently, a geometric model for the confinement of magnetic charges in the context of type II string compactifications was constructed. This model assumes the existence of stable magnetic vortices with quantized flux in the low energy theory. However, quantization of flux alone does not imply that

  8. Two flavor QCD and Confinement

    DEFF Research Database (Denmark)

    D'Elia, M.; Di Giacomo, A.; Pica, Claudio

    2005-01-01

    We argue that the order of the chiral transition for N_f=2 is a sensitive probe of the QCD vacuum, in particular of the mechanism of color confinement. A strategy is developed to investigate the order of the transition by use of finite size scaling analysis. An in-depth numerical investigation...

  9. Hydrophobic Ice Confined between Graphene and MoS2

    NARCIS (Netherlands)

    Bampoulis, Pantelis; Teernstra, V.J.; Lohse, Detlef; Zandvliet, Henricus J.W.; Poelsema, Bene

    2016-01-01

    The structure and nature of water confined between hydrophobic molybdenum disulfide (MoS2) and graphene (Gr) are investigated at room temperature by means of atomic force microscopy. We find the formation of two-dimensional (2D) crystalline ice layers. In contrast to the hexagonal ice “bilayers” of

  10. Inverse effects of flowing phase-shift nanodroplets and lipid-shelled microbubbles on subsequent cavitation during focused ultrasound exposures.

    Science.gov (United States)

    Zhang, Siyuan; Cui, Zhiwei; Xu, Tianqi; Liu, Pan; Li, Dapeng; Shang, Shaoqiang; Xu, Ranxiang; Zong, Yujin; Niu, Gang; Wang, Supin; He, Xijing; Wan, Mingxi

    2017-01-01

    This paper compared the effects of flowing phase-shift nanodroplets (NDs) and lipid-shelled microbubbles (MBs) on subsequent cavitation during focused ultrasound (FUS) exposures. The cavitation activity was monitored using a passive cavitation detection method as solutions of either phase-shift NDs or lipid-shelled MBs flowed at varying velocities through a 5-mm diameter wall-less vessel in a transparent tissue-mimicking phantom when exposed to FUS. The intensity of cavitation for the phase-shift NDs showed an upward trend with time and cavitation for the lipid-shelled MBs grew to a maximum at the outset of the FUS exposure followed by a trend of decreases when they were static in the vessel. Meanwhile, the increase of cavitation for the phase-shift NDs and decrease of cavitation for the lipid-shelled MBs had slowed down when they flowed through the vessel. During two discrete identical FUS exposures, while the normalized inertial cavitation dose (ICD) value for the lipid-shelled MB solution was higher than that for the saline in the first exposure (p-value phase-shift NDs, the normalized ICD was 0.71 in the first exposure and increased to 0.97 in the second exposure. At a low acoustic power, the normalized ICD values for the lipid-shelled MBs tended to increase with increasing velocities from 5 to 30cm/s (r>0.95). Meanwhile, the normalized ICD value for the phase-shift NDs was 0.182 at a flow velocity of 5cm/s and increased to 0.188 at a flow velocity of 15cm/s. As the flow velocity increased to 20cm/s, the normalized ICD was 0.185 and decreased to 0.178 at a flow velocity of 30cm/s. At high acoustic power, the normalized ICD values for both the lipid-shelled MBs and the phase-shift NDs increased with increasing flow velocities from 5 to 30cm/s (r>0.95). The effects of the flowing phase-shift NDs vaporized into gas bubbles as cavitation nuclei on the subsequent cavitation were inverse to those of the flowing lipid-shelled MBs destroyed after focused ultrasound

  11. Physics of magnetic confinement fusion

    Directory of Open Access Journals (Sweden)

    Wagner F.

    2013-06-01

    Full Text Available Fusion is the energy source of the universe. The local conditions in the core of the Sun allow the transfer of mass into energy, which is finally released in the form of radiation. Technical fusion melts deuterons and tritons to helium releasing large amounts of energy per fusion process. Because of the conditions for fusion, which will be deduced, the fusion fuel is in the plasma state. Here we report on the confinement of fusion plasmas by magnetic fields. Different confinement concepts — tokamaks and stellarators — will be introduced and described. The first fusion reactor, ITER, and the most modern stellarator, Wendelstein 7-X, are under construction. Their basic features and objectives will be presented.

  12. Confinement of color and geometry

    CERN Document Server

    Di Giacomo, A

    2009-01-01

    A natural explanation of confinement can be given in terms of symmetry. Since color symmetry is exact, the candidate symmetry is dual and related to homotopy,i.e., in (3+1)d, to magnetic charge conservation. A set of r abelian 'tHooft-like tensors (r = rank of the gauge group) can be defined and the dual charge is a violation of the corresponding Bianchi identities. It is shown that this is equivalently described by non-abelian Bianchi identities.

  13. Multi-Quanta Spin-Locking Nuclear Magnetic Resonance Relaxation Measurements: An Analysis of the Long-Time Dynamical Properties of Ions and Water Molecules Confined within Dense Clay Sediments

    Directory of Open Access Journals (Sweden)

    Patrice Porion

    2017-11-01

    Full Text Available Solid/liquid interfaces are exploited in various industrial applications because confinement strongly modifies the physico-chemical properties of bulk fluids. In that context, investigating the dynamical properties of confined fluids is crucial to identify and better understand the key factors responsible for their behavior and to optimize their structural and dynamical properties. For that purpose, we have developed multi-quanta spin-locking nuclear magnetic resonance relaxometry of quadrupolar nuclei in order to fill the gap between the time-scales accessible by classical procedures (like dielectric relaxation, inelastic and quasi-elastic neutron scattering and obtain otherwise unattainable dynamical information. This work focuses on the use of quadrupolar nuclei (like 2H, 7Li and 133Cs, because quadrupolar isotopes are the most abundant NMR probes in the periodic table. Clay sediments are the confining media selected for this study because they are ubiquitous materials implied in numerous industrial applications (ionic exchange, pollutant absorption, drilling, waste storing, cracking and heterogeneous catalysis.

  14. Dancing droplets: Contact angle, drag, and confinement

    Science.gov (United States)

    Benusiglio, Adrien; Cira, Nate; Prakash, Manu

    2015-11-01

    When deposited on a clean glass slide, a mixture of water and propylene glycol forms a droplet of given contact angle, when both pure liquids spread. (Cira, Benusiglio, Prakash: Nature, 2015). The droplet is stabilized by a gradient of surface tension due to evaporation that induces a Marangoni flow from the border to the apex of the droplets. The apparent contact angle of the droplets depends on both their composition and the external humidity as captured by simple models. These droplets present remarkable properties such as lack of a large pinning force. We discuss the drag on these droplets as a function of various parameters. We show theoretical and experimental results of how various confinement geometries change the vapor gradient and the dynamics of droplet attraction.

  15. Effect of Aluminium Confinement on ANFO Detonation

    Science.gov (United States)

    Short, Mark; Jackson, Scott; Kiyanda, Charles; Shinas, Mike; Hare, Steve; Briggs, Matt

    2013-06-01

    Detonations in confined non-ideal high explosives often have velocities below the confiner sound speed. The effect on detonation propagation of the resulting subsonic flow in the confiner (such as confiner stress waves traveling ahead of the main detonation front or upstream wall deflection into the HE) has yet to be fully understood. Previous work by Sharpe and Bdzil (J. Eng. Math, 2006) has shown that for subsonic confiner flow, there is no limiting thickness for which the detonation dynamics are uninfluenced by further increases in wall thickness. The critical parameters influencing detonation behavior are the wall thickness relative to the HE reaction zone size, and the difference in the detonation velocity and confiner sound speed. Additional possible outcomes of subsonic flow are that for increasing thickness, the confiner is increasingly deflected into the HE upstream of the detonation, and that for sufficiently thick confiners, the detonation speed could be driven up to the sound speed in the confiner. We report here on a further series of experiments in which a mixture of ammonium nitrate and fuel oil (ANFO) is detonated in aluminum confiners with varying HE charge diameter and confiner thickness, and compare the results with the outcomes suggested by Sharpe and Bdzil.

  16. Confined space fatalities in Virginia.

    Science.gov (United States)

    Sahli, B P; Armstrong, C W

    1992-09-01

    To better understand the frequency and characteristics of occupational confined space fatalities in Virginia, we reviewed death certificates, workers' compensation files, a Virginia Occupational Safety and Health Administration listing, and medical examiner records for all 50 fatalities (41 accidents) reported during 1979 to 1986. All fatalities were identified in medical examiner records (50), more than in any other source. The majority of decedents were male craftsmen, operators, or laborers less than 50 years old (mean 38). Drug screens of the 43 decedents tested were negative, with the exception of 2 cases where blood alcohol was detected (greater than or equal to 0.06%). Approximately 5% of "at work" civilian deaths (excluding plane, train, and motor vehicle fatalities) were confined space related. Virginia resident death rates per million employees were highest for shipbuilding and repair facilities (23.2), local government (8.9), and manufacturing other than shipbuilding (5.4%). Multiple fatalities occurred in 4 (10%) of the accidents, with 3 involving 2 fatalities each, and 1 accident involving 7 fatalities. Three fatalities (6%) were rescuers. Fifty nonfatal injuries of rescuers were known to have occurred in these accidents, 15 of co-workers and 35 of community rescue personnel (firefighters and rescue squad members). Approximately half the accidents occurred during the fourth quarter of the year and on a Thursday or Friday, and about one third occurred at night. The leading accident type was atmospheric condition, most commonly oxygen deficiency (33%) or the presence of carbon monoxide (20%). In 6 (40%) of the 15 accidents involving atmospheric condition, the toxic gas or oxygen deficiency was absent in the confined space at the time of entry.(ABSTRACT TRUNCATED AT 250 WORDS)

  17. Frictional properties of confined polymers

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, Vladimir N; Persson, Bo N J

    2008-01-01

    We present molecular dynamics friction calculations for confined hydrocarbon solids with molecular lengths from 20 to 1400 carbon atoms. Two cases are considered: a) polymer sliding against a hard substrate, and b) polymer sliding on polymer. In the first setup the shear stresses are relatively...... independent of molecular length. For polymer sliding on polymer the friction is significantly larger, and dependent on the molecular chain length. In both cases, the shear stresses are proportional to the squeezing pressure and finite at zero load, indicating an adhesional contribution to the friction force...

  18. Weak polyelectrolytes in Confined Geometries

    Science.gov (United States)

    Whitmer, Jonathan K.; Rathee, Vikramjit S.; Sikora, Benjamin

    Crucial to the behavior of recently designed charge-rejection and mosaic membranes are the conformations of polyelectrolyte brushes and oligomeric grafts used to control the membranes' surface charge. The use of pH-tunable weak polyelectrolytes with associative interactions enables fine tuning of material transport properties. Here, we apply constant-pH molecular dynamics along with free energy sampling algorithms to understand the subtle tug-of-war between pH, salt concentrations, and solvation forces in confined systems, and determine how each of these effects alters transport within the system. We further discuss the implications of our findings for the design of electrolyte separation membranes.

  19. Liquid Spreading under Nanoscale Confinement

    Science.gov (United States)

    Checco, Antonio

    2009-03-01

    Dynamic atomic force microscopy in the noncontact regime is used to study the morphology of a nonvolatile liquid (squalane) as it spreads along wettable nanostripes embedded in a nonwettable surface. Results show that the liquid profile depends on the amount of lateral confinement imposed by the nanostripes, and it is truncated at the microscopic contact line in good qualitative agreement with classical mesoscale hydrodynamics. However, the width of the contact line is found to be significantly larger than expected theoretically. This behavior may originate from small chemical inhomogeneity of the patterned stripes as well as from thermal fluctuations of the contact line.

  20. Magnetic confinement fusion energy research

    Energy Technology Data Exchange (ETDEWEB)

    Grad, H

    1977-03-01

    Controlled Thermonuclear Fusion offers probably the only relatively clean energy solution with completely inexhaustible fuel and unlimited power capacity. The scientific and technological problem consists in magnetically confining a hot, dense plasma (pressure several to hundreds of atmospheres, temperature 10/sup 8/ degrees or more) for an appreciable fraction of a second. The scientific and mathematical problem is to describe the behavior, such as confinement, stability, flow, compression, heating, energy transfer and diffusion of this medium in the presence of electromagnetic fields just as we now can for air or steam. Some of the extant theory consists of applications, routine or ingenious, of known mathematical structures in the theory of differential equations and in traditional analysis. Other applications of known mathematical structures offer surprises and new insights: the coordination between sub-supersonic and elliptic-hyperbolic is fractured; supersonic propagation goes upstream; etc. Other completely nonstandard mathematical structures with significant theory are being rapidly uncovered (and somewhat less rapidly understood) such as non-elliptic variational equations and new types of weak solutions. It is these new mathematical structures which one should expect to supply the foundation for the next generation's pure mathematics, if history is a guide. Despite the substantial effort over a period of some twenty years, there are still basic and important scintific and mathematical discoveries to be made, lying just beneath the surface.

  1. Spatially confined assembly of nanoparticles.

    Science.gov (United States)

    Jiang, Lin; Chen, Xiaodong; Lu, Nan; Chi, Lifeng

    2014-10-21

    an increasingly important role in the controllable assembly of NPs. In this Account, we summarize our approaches and progress in fabricating spatially confined assemblies of NPs that allow for the positioning of NPs with high resolution and considerable throughput. The spatially selective assembly of NPs at the desired location can be achieved by various mechanisms, such as, a controlled dewetting process, electrostatically mediated assembly of particles, and confined deposition and growth of NPs. Three nanofabrication techniques used to produce prepatterns on a substrate are summarized: the Langmuir-Blodgett (LB) patterning technique, e-beam lithography (EBL), and nanoimprint lithography (NPL). The particle density, particle size, or interparticle distance in NP assemblies strongly depends on the geometric parameters of the template structure due to spatial confinement. In addition, with smart design template structures, multiplexed NPs can be assembled into a defined structure, thus demonstrating the structural and functional complexity required for highly integrated and multifunction applications.

  2. Confined nano-crystallization of celecoxib inside porous mannitol

    Science.gov (United States)

    Kim, Hyun Jin; Lee, Jonghwi

    2015-06-01

    Improving the dissolution behavior of poorly or sparingly water-soluble drugs by reducing their particle size remains a critical issue in oral drug delivery. Confined nano-crystallization has many advantages over other nanocrystal preparation techniques, but also has the serious drawback of the use of uncommon excipients as porous template materials. We prepared novel porous mannitol templates with pore sizes ranging from a few microns to submicrons by directional melt crystallization of solvent; these pores served to confine the evaporative crystallization of celecoxib. Pore structures were relatively well connected, which was beneficial for infiltration of the drug solution. The particle size of the resulting crystals spanned from tens of microns to several hundreds of nanometers. Distinctly improved dissolution characteristics were obtained with retention of the stable original polymorph. We anticipate the readily dissolvable composite formulation of mannitol and celecoxib described in this study will spur the development of nanocrystal formulations for various poorly water-soluble drugs.

  3. Surface nanobubbles and nanodroplets

    NARCIS (Netherlands)

    Lohse, Detlef; Zhang, Xuehua

    2015-01-01

    Surface nanobubbles are nanoscopic gaseous domains on immersed substrates which can survive for days. They were first speculated to exist about 20 years ago, based on stepwise features in force curves between two hydrophobic surfaces, eventually leading to the first atomic force microscopy (AFM)

  4. Quark Confinement and Force Unification

    Directory of Open Access Journals (Sweden)

    Stone R. A. Jr.

    2010-04-01

    Full Text Available String theory had to adopt a bi-scale approach in order to produce the weakness of gravity. Taking a bi-scale approach to particle physics along with a spin connection produces 1 the measured proton radius, 2 a resolution of the multiplicity of measured weak angle values 3 a correct theoretical value for the Z 0 4 a reason that h is a constant and 5 a “neutral current” source. The source of the “neutral current” provides 6 an alternate solution to quark confinement, 7 produces an effective r like potential, and 8 gives a reason for the observed but unexplained Regge trajectory like J M 2 behavior seen in quark composite particle spin families.

  5. Frictional properties of confined polymers.

    Science.gov (United States)

    Sivebaek, I M; Samoilov, V N; Persson, B N J

    2008-09-01

    We present molecular dynamics friction calculations for confined hydrocarbon solids with molecular lengths from 20 to 1400 carbon atoms. Two cases are considered: a) polymer sliding against a hard substrate, and b) polymer sliding on polymer. In the first setup the shear stresses are relatively independent of molecular length. For polymer sliding on polymer the friction is significantly larger, and dependent on the molecular chain length. In both cases, the shear stresses are proportional to the squeezing pressure and finite at zero load, indicating an adhesional contribution to the friction force. The friction decreases when the sliding distance is of the order of the molecular length indicating a strong influence of molecular alignment during run-in. The results of our calculations show good correlation with experimental work.

  6. Fractional governing equations of transient groundwater flow in confined aquifers with multi-fractional dimensions in fractional time

    Directory of Open Access Journals (Sweden)

    M. L. Kavvas

    2017-10-01

    Full Text Available Using fractional calculus, a dimensionally consistent governing equation of transient, saturated groundwater flow in fractional time in a multi-fractional confined aquifer is developed. First, a dimensionally consistent continuity equation for transient saturated groundwater flow in fractional time and in a multi-fractional, multidimensional confined aquifer is developed. For the equation of water flux within a multi-fractional multidimensional confined aquifer, a dimensionally consistent equation is also developed. The governing equation of transient saturated groundwater flow in a multi-fractional, multidimensional confined aquifer in fractional time is then obtained by combining the fractional continuity and water flux equations. To illustrate the capability of the proposed governing equation of groundwater flow in a confined aquifer, a numerical application of the fractional governing equation to a confined aquifer groundwater flow problem was also performed.

  7. Degraded confinement and turbulence in tokamak experiments

    NARCIS (Netherlands)

    Schüller, F. C.

    1996-01-01

    After a review on the state of tokamak transport theory, the methodology to derive experimental results will be described. Examples of confinement in ohmic plasmas and the deterioration with additional heating will be given. Some examples of improved confinement modes will be discussed. Fluctuation

  8. Degraded confinement and turbulence in tokamak experiments

    NARCIS (Netherlands)

    Hogeweij, G. M. D.

    2012-01-01

    After a review on the state of tokamak transport theory, the methodology to derive experimental results will be described. Examples of confinement in ohmic plasmas and the deterioration with additional healing will be given. Some examples of improved confinement; modes will be discussed.

  9. Confinement of charge carriers in bilayer graphene

    NARCIS (Netherlands)

    Goossens, A.M.

    2013-01-01

    In this thesis we investigate the fundamental properties of electronic transport in bilayer graphene. We do this by confining electrons to narrow constrictions and small islands. Our key result is the fabrication and measurement of nanoscale devices that permit confinement with electric fields in

  10. Structure of polymer chains under confinement

    Indian Academy of Sciences (India)

    Single chain form factor was observed both for bulk and confined chains using the condition of zero average contrast. Our measurements on neutral polymer chains are in agreement with the theoretical predictions established by Daoud and de Gennes for chains confined in a cylindrical pore when the chains are entangled ...

  11. Polymer Dynamics under Cylindrical Nano-Confinement

    Science.gov (United States)

    Winey, Karen; Tung, Wei-Shao; Riggleman, Robert

    2015-03-01

    Polymer melts under cylindrical confinement have previously been shown to exhibit chain conformations elongated parallel to the cylinder axis and compressed perpendicular to the cylinder. Further, simulations and theory found that the number of entanglements per chain decreases as the cylinder diameter decreases. This talk presents the local dynamics and polymer diffusion under cylindrical nanoconfinement using simulations and experiments. For the molecular dynamics simulations, an entangled polymer is confined by an amorphous cylindrical confinement. Local dynamics and local packing of monomers are affected by the cylindrical confinement and an anisotropic mean-squared displacement is observed with faster motion along the cylinder axes that increases with increasing confinement. Using elastic recoil detection experiments, polymer diffusion coefficients along cylindrical nanopores were measured for deuterated polystyrene diffusing into nanoporous membranes infiltrated with polystyrene. The tracer diffusion coefficient increased with decreasing pore size, although the increase is less pronounced than found in the simulations. Results will be discussed in terms of the reptation model.

  12. Fermion Superfluidity And Confining Interactions

    CERN Document Server

    Galal, A A

    2004-01-01

    We study the pairing of Fermi systems with long-range, confining interparticle interactions. We solve the Cooper problem for a pair of fermions interacting via a regularized harmonic oscillator potential and determine the s-wave spectrum of bound states. Using a model of two interacting species of fermions, we calculate the ground state energy of the normal phase in the Hartree-Fock approximation and find that it is infrared (IR) divergent, due to a combination of the sharpness of the Fermi sea and the long-range nature of the interaction. We calculate the correlation energy in the normal phase using the random phase approximation (RPA) and demonstrate the cancellation of infrared divergences between the Hartree-Fock and RPA contributions. Introducing a variational wavefunction to study the superfluid phase, we solve the BCS equations using a Hartree-Fock-Bogoliubov (HFB) analysis to determine the wave-function, excitation gap, and other parameters of the superfluid phase. We show that the system crosses over...

  13. Confined zone dispersion flue gas desulfurization demonstration

    Energy Technology Data Exchange (ETDEWEB)

    1992-02-27

    The confined zone dispersion (CZD) process involves flue gas post-treatment, physically located between a boiler's outlet and its particulate collector, which in the majority of cases is an electrostatic precipitator. The features that distinguish this process from other similar injection processes are: Injection of an alkaline slurry directly into the duct, instead of injection of dry solids into the duct ahead of a fabric filter. Use of an ultrafine calcium/magnesium hydroxide, type S pressure-hydrated dolomitic lime. This commercial product is made from plentiful, naturally occurring dolomite. Low residence time, made possible by the high effective surface area of the Type S lime. Localized dispersion of the reagent. Slurry droplets contact only part of the gas while the droplets are drying, to remove up to 50 percent of the S0{sub 2} and significant amounts of NO{sub x}. The process uses dual fluid rather than rotary atomizers. Improved electrostatic precipitator performance via gas conditioning from the increased water vapor content, and lower temperatures. Supplemental conditioning with S0{sub 3} is not believed necessary for satisfactory removal of particulate matter.

  14. Water

    Science.gov (United States)

    ... www.girlshealth.gov/ Home Nutrition Nutrition basics Water Water Did you know that water makes up more ... to drink more water Other drinks How much water do you need? top Water is very important, ...

  15. Tailoring nanoscopic confines to maximize catalytic activity of hydronium ions

    Science.gov (United States)

    Shi, Hui; Eckstein, Sebastian; Vjunov, Aleksei; Camaioni, Donald M.; Lercher, Johannes A.

    2017-05-01

    Acid catalysis by hydronium ions is ubiquitous in aqueous-phase organic reactions. Here we show that hydronium ion catalysis, exemplified by intramolecular dehydration of cyclohexanol, is markedly influenced by steric constraints, yielding turnover rates that increase by up to two orders of magnitude in tight confines relative to an aqueous solution of a Brønsted acid. The higher activities in zeolites BEA and FAU than in water are caused by more positive activation entropies that more than offset higher activation enthalpies. The higher activity in zeolite MFI with pores smaller than BEA and FAU is caused by a lower activation enthalpy in the tighter confines that more than offsets a less positive activation entropy. Molecularly sized pores significantly enhance the association between hydronium ions and alcohols in a steric environment resembling the constraints in pockets of enzymes stabilizing active sites.

  16. Enhanced cavitation and heating of flowing polymer- and lipid-shelled microbubbles and phase-shift nanodroplets during focused ultrasound exposures

    Science.gov (United States)

    Zhang, Siyuan; Cui, Zhiwei; Li, Chong; Zhou, Fanyu; Zong, Yujin; Wang, Supin; Wan, Mingxi

    2017-03-01

    Cavitation and heating are the primary mechanisms of numerous therapeutic applications of ultrasound. Various encapsulated microbubbles (MBs) and phase-shift nanodroplets (NDs) have been used to enhance local cavitation and heating, creating interests in developing ultrasound therapy using these encapsulated MBs and NDs. This work compared the efficiency of flowing polymer- and lipid-shelled MBs and phase-shift NDs in cavitation and heating during focused ultrasound (FUS) exposures. Cavitation activity and temperature were investigated when the solution of polymer- and lipid-shelled MBs and NDs flowed through the vessel in a tissue-mimicking phantom with varying flow velocities when exposed to FUS at various acoustic power levels. The inertial cavitation dose (ICD) for the encapsulated MBs and NDs were higher than those for the saline. Temperature initially increased with increasing flow velocities of the encapsulated MBs, followed by a decrease of the temperature with increasing flow velocities when the velocity was much higher. Meanwhile, ICD showed a trend of increases with increasing flow velocity. For the phase-shift NDs, ICD after the first FUS exposure was lower than those after the second FUS exposure. For the encapsulated MBs, ICD after the first FUS exposure was higher than those after the second FUS exposure. Further studies are necessary to investigate the treatment efficiency of different encapsulated MBs and phase-shift NDs in cavitation and heating.

  17. Low-intensity focused ultrasound (LIFU)-induced acoustic droplet vaporization in phase-transition perfluoropentane nanodroplets modified by folate for ultrasound molecular imaging.

    Science.gov (United States)

    Liu, Jianxin; Shang, Tingting; Wang, Fengjuan; Cao, Yang; Hao, Lan; Ren, JianLi; Ran, Haitao; Wang, Zhigang; Li, Pan; Du, Zhiyu

    2017-01-01

    The commonly used ultrasound (US) molecular probes, such as targeted microbubbles and perfluorocarbon emulsions, present a number of inherent problems including the conflict between US visualization and particle penetration. This study describes the successful fabrication of phase changeable folate-targeted perfluoropentane nanodroplets (termed FA-NDs), a novel US molecular probe for tumor molecular imaging with US. Notably, these FA-NDs can be triggered by low-intensity focused US (LIFU) sonication, providing excellent US enhancement in B-mode and contrast-enhanced US mode in vitro. After intravenous administration into nude mice bearing SKOV3 ovarian carcinomas, 1,1'-dioctadecyl-3,3,3',3' -tetramethylindotricarbocya-nine iodide-labeled FA-NDs were found to accumulate in the tumor region. FA-NDs injection followed by LIFU sonication exhibited remarkable US contrast enhancement in the tumor region. In conclusion, combining our elaborately developed FA-NDs with LIFU sonication provides a potential protocol for US molecular imaging in folate receptor-overexpressing tumors.

  18. Aerofractures in Confined Granular Media

    Science.gov (United States)

    Eriksen, Fredrik K.; Turkaya, Semih; Toussaint, Renaud; Måløy, Knut J.; Flekkøy, Eirik G.

    2015-04-01

    We will present the optical analysis of experimental aerofractures in confined granular media. The study of this generic process may have applications in industries involving hydraulic fracturing of tight rocks, safe construction of dams, tunnels and mines, and in earth science where phenomena such as mud volcanoes and sand injectites are results of subsurface sediment displacements driven by fluid overpressure. It is also interesting to increase the understanding the flow instability itself, and how the fluid flow impacts the solid surrounding fractures and in the rest of the sample. Such processes where previously studied numerically [Niebling 2012a, Niebling 2012b] or in circular geometries. We will here explore experimentally linear geometries. We study the fracturing patterns that form when air flows into a dense, non-cohesive porous medium confined in a Hele-Shaw cell - i.e. into a packing of dry 80 micron beads placed between two glass plates separated by ~1mm. The cell is rectangular and fitted with a semi-permeable boundary to the atmosphere - blocking beads but not air - on one short edge, while the other three edges are impermeable. The porous medium is packed inside the cell between the semi-permeable boundary and an empty volume at the sealed side where the air pressure can be set and kept at a constant overpressure (1-2bar). Thus, for the air trapped inside the cell to release the overpressure it has to move through the solid. At high enough overpressures the air flow deforms the solid and increase permeability in some regions along the air-solid interface, which results in unstable flow and aerofracturing. Aerofractures are thought to be an analogue to hydrofractures, and an advantage of performing aerofracturing experiments in a Hele-Shaw cell is that the fracturing process can easily be observed in the lab. Our experiments are recorded with a high speed camera with a framerate of 1000 frames per second. In the analysis, by using various image

  19. Kinetics of Phase Separation in Confined Geometries

    Science.gov (United States)

    Puri, Sanjay

    We review analytical and numerical results for the kinetics of phase separation in confined geometries. It is often the case that a confining surface has a preferential attraction for one of the components of a segregating mixture. The equilibrium surface morphology is either partially wet or completely wet, depending on the strength of the surface potential. The dynamical interplay of wetting and phase separation is referred to as surface-directed spinodal decomposition (SDSD), and is of considerable technological importance. We discuss the modeling of SDSD at both the microscopic and coarse-grained levels. We also present results for SDSD in both semi-infinite and confined geometries.

  20. Electronic Quantum Confinement in Cylindrical Potential Well

    CERN Document Server

    Baltenkov, A S

    2016-01-01

    The effects of quantum confinement on the momentum distribution of electrons confined within a cylindrical potential well have been analyzed. The motivation is to understand specific features of the momentum distribution of electrons when the electron behavior is completely controlled by the parameters of a non-isotropic potential cavity. It is shown that studying the solutions of the wave equation for an electron confined in a cylindrical potential well offers the possibility to analyze the confinement behavior of an electron executing one- or two-dimensional motion in the three-dimensional space within the framework of the same mathematical model. Some low-lying electronic states with different symmetries have been considered and the corresponding wave functions have been calculated; the behavior of their nodes and their peak positions with respect to the parameters of the cylindrical well has been analyzed. Additionally, the momentum distributions of electrons in these states have been calculated. The limi...

  1. Plasma confinement system and methods for use

    Energy Technology Data Exchange (ETDEWEB)

    Jarboe, Thomas R.; Sutherland, Derek

    2017-09-05

    A plasma confinement system is provided that includes a confinement chamber that includes one or more enclosures of respective helicity injectors. The one or more enclosures are coupled to ports at an outer radius of the confinement chamber. The system further includes one or more conductive coils aligned substantially parallel to the one or more enclosures and a further set of one or more conductive coils respectively surrounding portions of the one or more enclosures. Currents may be provided to the sets of conductive coils to energize a gas within the confinement chamber into a plasma. Further, a heat-exchange system is provided that includes an inner wall, an intermediate wall, an outer wall, and pipe sections configured to carry coolant through cavities formed by the walls.

  2. Anisotropic hydrodynamic function of dense confined colloids

    Science.gov (United States)

    Nygârd, Kim; Buitenhuis, Johan; Kagias, Matias; Jefimovs, Konstantins; Zontone, Federico; Chushkin, Yuriy

    2017-06-01

    Dense colloidal dispersions exhibit complex wave-vector-dependent diffusion, which is controlled by both direct particle interactions and indirect nonadditive hydrodynamic interactions mediated by the solvent. In bulk the hydrodynamic interactions are probed routinely, but in confined geometries their studies have been hitherto hindered by additional complications due to confining walls. Here we solve this issue by combining high-energy x-ray photon correlation spectroscopy and small-angle x-ray-scattering experiments on colloid-filled microfluidic channels to yield the confined fluid's hydrodynamic function in the short-time limit. Most importantly, we find the confined fluid to exhibit a strongly anisotropic hydrodynamic function, similar to its anisotropic structure factor. This observation is important in order to guide future theoretical research.

  3. Group Velocity Engineering of Confined Ultrafast Magnons

    Science.gov (United States)

    Chen, Y.-J.; Zakeri, Kh.; Ernst, A.; Qin, H. J.; Meng, Y.; Kirschner, J.

    2017-12-01

    Quantum confinement permits the existence of multiple terahertz magnon modes in atomically engineered ultrathin magnetic films and multilayers. By means of spin-polarized high-resolution electron energy-loss spectroscopy, we report on the direct experimental detection of all exchange-dominated terahertz confined magnon modes in a 3 ML Co film. We demonstrate that, by tuning the structural and magnetic properties of the Co film, through its epitaxial growth on different surfaces, e.g., Ir(001), Cu(001), and Pt(111), one can achieve entirely different in-plane magnon dispersions, characterized by positive and negative group velocities. Our first-principles calculations show that spin-dependent many-body correlation effects in Co films play an important role in the determination of the energies of confined magnon modes. Our results suggest a pathway towards the engineering of the group velocity of confined ultrafast magnons.

  4. Frost damage of concrete subject to confinement

    DEFF Research Database (Denmark)

    Hasholt, Marianne Tange

    2016-01-01

    When internal frost damage is observed in real concrete structures, the usual pattern is cracks with a preferred orientation parallel to the exposed surface. When exposing concrete with poor frost resistance to a standardised freeze/thaw test in the laboratory, the orientations of the resulting...... cracks are more or less random. The present study is an experimental study, which aims at investigating the influence of confinement during freeze/thaw action on the developed crack pattern. Confinement is established by mounting hose clamps on cylindrical test specimens, using similar test specimens...... without hose clamps as reference. The results show that confinement can change the outcome of a freeze/thaw test as regards extent of internal cracking, crack orientations, and amount of surface scaling. Thus it seems likely that the difference in confinement (and therefore also in stress state) can...

  5. Monte Carlo simulations of confined polymer systems

    NARCIS (Netherlands)

    Vliet, Johannes Henricus van

    1991-01-01

    This thesis considers confined polymer systems. These systems are of considerable interest, e.g., thin polymer films, chromotography of polymer solutions, drag reduction, enhanced oil recovery, stabilization of colloidal dispersions, lubrication and biolubrication. The method used to study these

  6. Aspects of Confinement in Low Dimensions

    Science.gov (United States)

    Bhaseen, M. J.; Tsvelik, A. M.

    We briefly review some examples of confinement which arise in condensed matter physics. We focus on two instructive cases: the off-critical Ising model in a magnetic field, and an array of weakly coupled (extended) Hubbard chains in the Wigner crystal phase. In the appropriate regime, the elementary excitations in these 1 + 1 and quasi-one-dimensional systems are confined into `mesons'. Although the models are generically non-integrable, quantum mechanics and form-factor techniques yield valuable information.

  7. Confined Space Evaluation Student Manual, #19613

    Energy Technology Data Exchange (ETDEWEB)

    Wilmot, David Ezekiel [Los Alamos National Laboratory

    2016-08-29

    Many workplaces contain spaces that are considered to be “confined” because their configuration hinders the activities of employees who must enter into, work in, and exit from them. In general, the permit-required confined spaces (PRCSs) Occupational Safety and Health Administration (OSHA) standard requires that Los Alamos National Laboratory (LANL) evaluate the workplace to determine if any spaces are PRCSs. The standard specifies strict procedures for the evaluation and atmospheric testing of a space before and during an entry by workers. The OSHA PRCS standard provides for alternative (less stringent than full-permit) entry procedures in cases where the only hazard in a space is atmospheric and the hazard can be controlled by forced air. At LANL, all confined spaces or potential confined spaces on LANL-owned or -operated property must be identified and evaluated by a confined space evaluator accompanied by a knowledgeable person. This course provides the information needed by confined space evaluators to make judgements about whether a space is a confined space, and if so, whether the space will require a permit for entry.

  8. Methods for two-dimensional cell confinement.

    Science.gov (United States)

    Le Berre, Maël; Zlotek-Zlotkiewicz, Ewa; Bonazzi, Daria; Lautenschlaeger, Franziska; Piel, Matthieu

    2014-01-01

    Protocols described in this chapter relate to a method to dynamically confine cells in two dimensions with various microenvironments. It can be used to impose on cells a given height, with an accuracy of less than 100 nm on large surfaces (cm(2)). The method is based on the gentle application of a modified glass coverslip onto a standard cell culture. Depending on the preparation, this confinement slide can impose on the cells a given geometry but also an environment of controlled stiffness, controlled adhesion, or a more complex environment. An advantage is that the method is compatible with most optical microscopy technologies and molecular biology protocols allowing advanced analysis of confined cells. In this chapter, we first explain the principle and issues of using these slides to confine cells in a controlled geometry and describe their fabrication. Finally, we discuss how the nature of the confinement slide can vary and provide an alternative method to confine cells with gels of controlled rigidity. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. Pattern formation in confined chemical gardens

    Science.gov (United States)

    De Wit, Anne; Haudin, Florence; Brau, Fabian; Cartwright, Julyan

    2014-05-01

    Chemical gardens are plant-like mineral structures first described in the seventeenth century and popularly known from chemistry sets for children. They are classically grown in three-dimensional containers by placing a solid metal-salt seed into a silicate solution. When the metal salt starts dissolving in the silicate solution, a semi-permeable membrane forms by precipitation across which water is pumped by osmosis from the silicate solution into the metal salt solution, further dissolving the salt. Above a given pressure, the membrane breaks. The dissolved metal salt solution being generally less dense than the reservoir silicate solution, it rises as a buoyant jet through the broken membrane and further precipitates in contact with the silicate solution, producing a collection of mineral forms that resemble a garden. Such gardens are the subject of increased interest as a model system to understand pattern formation in sea-ice brinicles and hydrothermal vents on the seafloor, among others. All these self-organized precipitation structures at the interface between chemistry, fluid dynamics and mechanics share indeed common chemical, mechanical and electrical properties. In this framework, we study experimentally spatial patterns resulting from the growth of chemical gardens in confined quasi-two-dimensional (2D) geometries upon radial injection of a metallic salt solution into a silicate solution in a horizontal Hele-Shaw cell. We find a large variety of patterns including spirals, fingers, worms, filiform tubes, and flower-like patterns. By exploring the phase space of reactant concentrations and injection flow rates, we observe transitions between these spatio-temporal structures resulting from a coupling between the precipitation reaction, mechanical effects and hydrodynamic instabilities.

  10. Exercise thermoregulation with bed rest, confinement, and immersion deconditioning.

    Science.gov (United States)

    Greenleaf, J E

    1997-03-15

    Altered thermoregulation following exposure to prolonged (12-14 days) of bed rest and 6 hr of head-down thermoneutral water immersion in humans, and cage confinement (8 weeks) in male, mongrel dogs resulted in occasional increased core temperature (Tcore) at rest, but consistent "excessive" increase in Tcore during submaximal exercise. This excessive increase in Tcore in nonexercising and exercising subjects was independent of the mode (isometric or isotonic) of exercise training during bed rest, and was associated with the consistent hypovolemia in men but not in women taking estrogen supplementation (1.25 mg premarin/ day) which restored plasma volume during bed rest to ambulatory control levels. Post-bed rest exercise sweating (evaporative heat loss) was unchanged or higher than control levels; however, calculated tissue heat conductance was significantly lower in men, and forearm venoconstriction was greater (venous volume was reduced) in women during exercise after bed rest. Because sweating appeared proportional to the increased level of Tcore, these findings suggest that one major factor for the excessive hyperthermia is decreased core to periphery heat conduction. Exercising dogs respond like humans with excessive increase in both rectal (Tre) and exercising muscle temperatures (Tmu) after confinement and, after eight weeks of exercise training on a treadmill following confinement, they had an attenuated rate of increase of Tre even below ambulatory control levels. Intravenous infusion of glucose also attenuated not only the rise in Tre during exercise in normal dogs, but also the excessive rise in Tre and exercising Tmu after confinement. Oral glucose also appeared to reduce the rate of increase in excessive Tre in men after immersion deconditioning. There was a greater rate of rise in Tcore in two cosmonauts during supine submaximal exercise (65% VO2 max) on the fifth recovery day after the 115-day Mir 18 mission. Thus, the excessive rise in core

  11. Universality classes and critical phenomena in confined liquid systems

    Directory of Open Access Journals (Sweden)

    A.V. Chalyi

    2013-06-01

    Full Text Available It is well known that the similar universal behavior of infinite-size (bulk systems of different nature requires the same basic conditions: space dimensionality; number components of order parameter; the type (short- or long-range of the intermolecular interaction; symmetry of the fluctuation part of thermodynamical potential. Basic conditions of similar universal behavior of confined systems needs the same supplementary conditions such as the number of monolayers for a system confinement; low crossover dimensionality, i.e., geometric form of restricted volume; boundary conditions on limiting surfaces; physical properties under consideration. This review paper is aimed at studying all these conditions of similar universal behavior for diffusion processes in confined liquid systems. Special attention was paid to the effects of spatial dispersion and low crossover dimensionality. This allowed us to receive receiving correct nonzero expressions for the diffusion coefficient at the critical point and to take into account the specific geometric form of the confined liquid volume. The problem of 3D⇔2D dimensional crossover was analyzed. To receive a smooth crossover for critical exponents, the Kawasaki-like approach from the theory of mode coupling in critical dynamics was proposed. This ensured a good agreement between data of computer experiment and theoretical calculations of the size dependence of the critical temperature Tc(H of water in slitlike pores. The width of the quasi-elastic scattering peak of slow neutrons near the structural phase transition in the aquatic suspensions of plasmatic membranes (mesostructures with the typical thickness up to 10 nm was studied. It was shown that the width of quasi-elastic peak of neutron scattering decreases due to the process of cell proliferation, i.e., with an increase of the membrane size (including the membrane thickness. Thus, neutron studies could serve as an additional diagnostic test for the

  12. Exercise thermoregulation with bed rest, confinement, and immersion deconditioning

    Science.gov (United States)

    Greenleaf, J. E.

    1997-01-01

    Altered thermoregulation following exposure to prolonged (12-14 days) of bed rest and 6 hr of head-down thermoneutral water immersion in humans, and cage confinement (8 weeks) in male, mongrel dogs resulted in occasional increased core temperature (Tcore) at rest, but consistent "excessive" increase in Tcore during submaximal exercise. This excessive increase in Tcore in nonexercising and exercising subjects was independent of the mode (isometric or isotonic) of exercise training during bed rest, and was associated with the consistent hypovolemia in men but not in women taking estrogen supplementation (1.25 mg premarin/ day) which restored plasma volume during bed rest to ambulatory control levels. Post-bed rest exercise sweating (evaporative heat loss) was unchanged or higher than control levels; however, calculated tissue heat conductance was significantly lower in men, and forearm venoconstriction was greater (venous volume was reduced) in women during exercise after bed rest. Because sweating appeared proportional to the increased level of Tcore, these findings suggest that one major factor for the excessive hyperthermia is decreased core to periphery heat conduction. Exercising dogs respond like humans with excessive increase in both rectal (Tre) and exercising muscle temperatures (Tmu) after confinement and, after eight weeks of exercise training on a treadmill following confinement, they had an attenuated rate of increase of Tre even below ambulatory control levels. Intravenous infusion of glucose also attenuated not only the rise in Tre during exercise in normal dogs, but also the excessive rise in Tre and exercising Tmu after confinement. Oral glucose also appeared to reduce the rate of increase in excessive Tre in men after immersion deconditioning. There was a greater rate of rise in Tcore in two cosmonauts during supine submaximal exercise (65% VO2 max) on the fifth recovery day after the 115-day Mir 18 mission. Thus, the excessive rise in core

  13. Limits on rock strength under high confinement

    Science.gov (United States)

    Renshaw, Carl E.; Schulson, Erland M.

    2007-06-01

    Understanding of deep earthquake source mechanisms requires knowledge of failure processes active under high confinement. Under low confinement the compressive strength of rock is well known to be limited by frictional sliding along stress-concentrating flaws. Under higher confinement strength is usually assumed limited by power-law creep associated with the movement of dislocations. In a review of existing experimental data, we find that when the confinement is high enough to suppress frictional sliding, rock strength increases as a power-law function only up to a critical normalized strain rate. Within the regime where frictional sliding is suppressed and the normalized strain rate is below the critical rate, both globally distributed ductile flow and localized brittle-like failure are observed. When frictional sliding is suppressed and the normalized strain rate is above the critical rate, failure is always localized in a brittle-like manner at a stress that is independent of the degree of confinement. Within the high-confinement, high-strain rate regime, the similarity in normalized failure strengths across a variety of rock types and minerals precludes both transformational faulting and dehydration embrittlement as strength-limiting mechanisms. The magnitude of the normalized failure strength corresponding to the transition to the high-confinement, high-strain rate regime and the observed weak dependence of failure strength on strain rate within this regime are consistent with a localized Peierls-type strength-limiting mechanism. At the highest strain rates the normalized strengths approach the theoretical limit for crystalline materials. Near-theoretical strengths have previously been observed only in nano- and micro-scale regions of materials that are effectively defect-free. Results are summarized in a new deformation mechanism map revealing that when confinement and strain rate are sufficient, strengths approaching the theoretical limit can be achieved in

  14. Topology of polymer chains under nanoscale confinement.

    Science.gov (United States)

    Satarifard, Vahid; Heidari, Maziar; Mashaghi, Samaneh; Tans, Sander J; Ejtehadi, Mohammad Reza; Mashaghi, Alireza

    2017-08-24

    Spatial confinement limits the conformational space accessible to biomolecules but the implications for bimolecular topology are not yet known. Folded linear biopolymers can be seen as molecular circuits formed by intramolecular contacts. The pairwise arrangement of intra-chain contacts can be categorized as parallel, series or cross, and has been identified as a topological property. Using molecular dynamics simulations, we determine the contact order distributions and topological circuits of short semi-flexible linear and ring polymer chains with a persistence length of lp under a spherical confinement of radius Rc. At low values of lp/Rc, the entropy of the linear chain leads to the formation of independent contacts along the chain and accordingly, increases the fraction of series topology with respect to other topologies. However, at high lp/Rc, the fraction of cross and parallel topologies are enhanced in the chain topological circuits with cross becoming predominant. At an intermediate confining regime, we identify a critical value of lp/Rc, at which all topological states have equal probability. Confinement thus equalizes the probability of more complex cross and parallel topologies to the level of the more simple, non-cooperative series topology. Moreover, our topology analysis reveals distinct behaviours for ring- and linear polymers under weak confinement; however, we find no difference between ring- and linear polymers under strong confinement. Under weak confinement, ring polymers adopt parallel and series topologies with equal likelihood, while linear polymers show a higher tendency for series arrangement. The radial distribution analysis of the topology reveals a non-uniform effect of confinement on the topology of polymer chains, thereby imposing more pronounced effects on the core region than on the confinement surface. Additionally, our results reveal that over a wide range of confining radii, loops arranged in parallel and cross topologies have

  15. Clays in natural and engineered barriers for radioactive waste confinement

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    The meeting covers all topics concerning natural argillaceous geological barriers and the clay material based engineered barrier systems, investigated by means of: laboratory experiments on clay samples (new analytical developments), in situ experiments in underground research laboratories, mock-up demonstrations, natural analogues, as well as numerical modelling and global integration approaches (including up-scaling processes and treatment of uncertainties). The works presented deal with: examples of broad research programs (national or international) on the role of natural and artificial clay barriers for radionuclide confinement; clay-based repository concepts: repository designs, including technological and safety issues related to the use of clay for nuclear waste confinement; geology and clay characterisation: mineralogy, sedimentology, paleo-environment, diagenesis, dating techniques, discontinuities in rock clay, fracturing, self sealing processes, role of organic matter and microbiological processes; geochemistry: pore water geochemistry, clay thermodynamics, chemical retention, geochemical modelling, advanced isotopic geochemistry; mass transfer: water status and hydraulic properties in low permeability media, pore space geometry, water, solute and gas transfer processes, colloid mediated transport, large scale movements, long-term diffusion; alteration processes: oxidation effects, hydration-dehydration processes, response to thermal stress, iron-clay interactions, alkaline perturbation; geomechanics: thermo-hydro-mechanical behaviour of clay, rheological models, EDZ characterisation and evolution, coupled behaviour and models (HM, THM, THMC). A particular interest is given to potential contributions coming from fields of activities other than radioactive waste management, which take advantage of the confinement properties of the clay barrier (oil and gas industries, gas geological storage, CO{sub 2} geological sequestration, chemical waste isolation

  16. Confined catalysis under two-dimensional materials

    Science.gov (United States)

    Li, Haobo; Xiao, Jianping; Bao, Xinhe

    2017-01-01

    Confined microenvironments formed in heterogeneous catalysts have recently been recognized as equally important as catalytically active sites. Understanding the fundamentals of confined catalysis has become an important topic in heterogeneous catalysis. Well-defined 2D space between a catalyst surface and a 2D material overlayer provides an ideal microenvironment to explore the confined catalysis experimentally and theoretically. Using density functional theory calculations, we reveal that adsorption of atoms and molecules on a Pt(111) surface always has been weakened under monolayer graphene, which is attributed to the geometric constraint and confinement field in the 2D space between the graphene overlayer and the Pt(111) surface. A similar result has been found on Pt(110) and Pt(100) surfaces covered with graphene. The microenvironment created by coating a catalyst surface with 2D material overlayer can be used to modulate surface reactivity, which has been illustrated by optimizing oxygen reduction reaction activity on Pt(111) covered by various 2D materials. We demonstrate a concept of confined catalysis under 2D cover based on a weak van der Waals interaction between 2D material overlayers and underlying catalyst surfaces. PMID:28533413

  17. Fire water

    Energy Technology Data Exchange (ETDEWEB)

    Thorpe, K. [Lawrence Webster Forrest Ltd. (United Kingdom)

    2001-01-01

    The article focuses on the value of water in fighting fires and discusses why refineries should identify water supply and distribution in contingency planning against fire. In the event of a fire, water will be required for (i) extinguishing the fire; (ii) protection of equipment and (iii) confinement of the fire. The thought process for identifying the water demand in the event of a fire is outlined. Tables give data on (a) water rates for cooling storage tanks; (b) water rates for cooling process units (c) guide to water requirements for various sizes of process units and (d) pumping requirements.

  18. Stiffness and Confinement Ratios of SMA Wire Jackets for Confining Concrete

    Science.gov (United States)

    Choi, Eunsoo; Kim, Dong Joo; Youn, Heejung

    2014-07-01

    This article discusses the effects of the stiffness and confinement ratios of shape memory alloy (SMA) wire jackets on the behavior of confined concrete. SMA wire jackets are an effective confining material to improve concrete behavior; for example, by increasing peak strength and failure strain. The stiffness and confinement ratios of fiber-reinforced polymer jackets have been extensively discussed and their effects are well known. However, assessment of the stiffness and confinement ratios of SMA wire jackets has not previously been conducted. In this study, we investigate the effects of the stiffness and confinement ratios of steel jackets, and then compare the results with those of SMA wire jackets. In general, the stiffness ratios of SMA wire jackets are relatively smaller than those of steel jackets, and most of them have lower stiffness ratios because the Young's moduli of the SMAs are relatively small. The active confining pressure of the SMA wires does not improve the lower stiffness-ratio effect since the amount of active confining pressure is not sufficiently large.

  19. Jet characteristics in confined swirling flow

    Science.gov (United States)

    So, R. M. C.; Ahmed, S. A.; Mongia, H. C.

    1985-01-01

    Jets in confined swirling flow are investigated in a facility where the swirling flow in the tube is produced by a vane-type swirler. The jet is located centrally in the swirler, and the diameter ratio of the tube to the jet is about 14. Both the jet and the swirling flow are fully turbulent. Results show that the confined jet is highly dissipative in nature. Consequently, the flow in the tube does not resemble a free jet with axial pressure gradient. The presence of swirl increases the rate of dissipation and the jet decays even faster. A fairly isotropic turbulence field is observed in the confined swirling flow. However, the introduction of the jet does not significantly affect this behavior, and near isotropy of the turbulence field is again observed at about 30 jet diameters downstream.

  20. Confined space facilitates G-quadruplex formation

    Science.gov (United States)

    Shrestha, Prakash; Jonchhe, Sagun; Emura, Tomoko; Hidaka, Kumi; Endo, Masayuki; Sugiyama, Hiroshi; Mao, Hanbin

    2017-07-01

    Molecular simulations suggest that the stability of a folded macromolecule increases in a confined space due to entropic effects. However, due to the interactions between the confined molecular structure and the walls of the container, clear-cut experimental evidence for this prediction is lacking. Here, using DNA origami nanocages, we show the pure effect of confined space on the property of individual human telomeric DNA G-quadruplexes. We induce targeted mechanical unfolding of the G-quadruplex while leaving the nanocage unperturbed. We find that the mechanical and thermodynamic stabilities of the G-quadruplex inside the nanocage increase with decreasing cage size. Compared to the case of diluted or molecularly crowded buffer solutions, the G-quadruplex inside the nanocage is significantly more stable, showing a 100 times faster folding rate. Our findings suggest the possibility of co-replicational or co-transcriptional folding of G-quadruplex inside the polymerase machinery in cells.

  1. Transition metal catalysis in confined spaces.

    Science.gov (United States)

    Leenders, Stefan H A M; Gramage-Doria, Rafael; de Bruin, Bas; Reek, Joost N H

    2015-01-21

    Transition metal catalysis plays an important role in both industry and in academia where selectivity, activity and stability are crucial parameters to control. Next to changing the structure of the ligand, introducing a confined space as a second coordination sphere around a metal catalyst has recently been shown to be a viable method to induce new selectivity and activity in transition metal catalysis. In this review we focus on supramolecular strategies to encapsulate transition metal complexes with the aim of controlling the selectivity via the second coordination sphere. As we will discuss, catalyst confinement can result in selective processes that are impossible or difficult to achieve by traditional methods. We will describe the template-ligand approach as well as the host-guest approach to arrive at such supramolecular systems and discuss how the performance of the catalyst is enhanced by confining it in a molecular container.

  2. Density shock waves in confined microswimmers

    CERN Document Server

    Tsang, Alan Cheng Hou

    2015-01-01

    Motile and driven particles confined in microfluidic channels exhibit interesting emergent behavior from propagating density bands to density shock waves. A deeper understanding of the physical mechanisms responsible for these emergent structures is relevant to a number of physical and biomedical applications. Here, we study the formation of density shock waves in the context of an idealized model of microswimmers confined in a narrow channel and subject to a uniform external flow. Interestingly, these density shock waves exhibit a transition from `subsonic' with compression at the back to `supersonic' with compression at the front of the population as the intensity of the external flow increases. This behavior is the result of a non-trivial interplay between hydrodynamic interactions and geometric confinement, and is confirmed by a novel quasilinear wave model that properly captures the dependence of the shock formation on the external flow. These findings can be used to guide the development of novel mechan...

  3. Confinement in Wendelstein 7-X limiter plasmas

    Science.gov (United States)

    Hirsch, M.; Dinklage, A.; Alonso, A.; Fuchert, G.; Bozhenkov, S.; Höfel, U.; Andreeva, T.; Baldzuhn, J.; Beurskens, M.; Bosch, H.-S.; Beidler, C. D.; Biedermann, C.; Blanco, E.; Brakel, R.; Burhenn, R.; Buttenschön, B.; Cappa, A.; Czarnecka, A.; Endler, M.; Estrada, T.; Fornal, T.; Geiger, J.; Grulke, O.; Harris, J. H.; Hartmann, D.; Jakubowski, M.; Klinger, T.; Knauer, J.; Kocsis, G.; König, R.; Kornejew, P.; Krämer-Flecken, A.; Krawczyk, N.; Krychowiak, M.; Kubkowska, M.; Ksiazek, I.; Langenberg, A.; Laqua, H. P.; Lazerson, S.; Maaßberg, H.; Marushchenko, N.; Marsen, S.; Moncada, V.; Moseev, D.; Naujoks, D.; Otte, M.; Pablant, N.; Pasch, E.; Pisano, F.; Rahbarnia, K.; Schröder, T.; Stange, T.; Stephey, L.; Szepesi, T.; Pedersen, T. Sunn; Trimino Mora, H.; Thomsen, H.; Tsuchiya, H.; Turkin, Yu.; Wauters, T.; Weir, G.; Wenzel, U.; Werner, A.; Wolf, R.; Wurden, G. A.; Zhang, D.; the W7-X Team

    2017-08-01

    Observations on confinement in the first experimental campaign on the optimized Stellarator Wendelstein 7-X are summarized. In this phase W7-X was equipped with five inboard limiters only and thus the discharge length restricted to avoid local overheating. Stationary plasmas are limited to low densities  <2-3 · 1019 m-3. With the available 4.3 MW ECR Heating core T e ~ 8 keV, T i ~ 1-2 keV are achieved routinely resulting in energy confinement time τ E between 80 ms to 150 ms. For these conditions the plasmas show characteristics of core electron root confinement with peaked T e-profiles and positive E r up to about half of the minor radius. Profiles and plasma currents respond to on- and off-axis heating and co- and counter ECCD respectively.

  4. A new model of gluon confinement

    Energy Technology Data Exchange (ETDEWEB)

    Novello, M.; De Lorenci, V.A. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Elbaz, E. [Universite Claude Bernard, 69 - Lyon (France). Inst. de Physique Nucleaire

    1997-06-01

    In this paper we present a model for the dynamics of a gauge field theory such that spin-one particles can be confined in a compact domain. We show that the property of confinement can be associated to the formation of a null surface identified to a horizon. This is due the presence of an effective geometry generated by the self-interaction of the gauge field that guides the wave propagation of the field. This phenomenon has a striking analog to the gravitational back hole in Einstein general theory of relativity, separating two domains of spacetime that can be trespassed only into one direction. (author) 4 refs., 1 fig.

  5. Molecular reactivity dynamics in a confined environment.

    Science.gov (United States)

    Khatua, Munmun; Chattaraj, Pratim Kumar

    2013-04-21

    Time evolution of various reactivity parameters viz. hardness, electrophilicity, chemical potential, polarizability, etc. in a confined environment has been studied through quantum fluid density functional theory formalism during time dependent processes such as proton-molecule collisions and molecule-field interaction. A Dirichlet type boundary condition has been incorporated to confine the systems. Responses in the reactivity parameters of the diatomic molecules, in the dynamical context, in ground state as well as in excited state, have been reported. Harmonic spectra are generated in the cases of the external laser field interacting with H2 and N2 molecules.

  6. Life in a Crowd: Macromolecular Crowding and Confinement Effects on Protein Interactions in Living Systems

    Science.gov (United States)

    Cheung, Margaret

    2007-03-01

    Biological polymers carry out their functions in living systems where the environment is very concentrated or crowded by macromolecules. Physically, the composition of a cell is more than ``a sack of water''; its consistency is closer to Jell-O. Experiments suggests that, because of this macromolecular crowding effect that confines polymeric dynamics, the kinetics and thermodynamics of protein folding and the association rate constants of protein-protein interactions in a cell (in vivo) are very different from that ina diluted test tube (in vitro). In order to quantitatively understand macromolecular crowding and confinement effects on protein dynamics, we used coarse-grained models that physically captured interactions between crowders and a protein. The folding rates of a model protein nonmonotonically increased with the volume fraction of the crowders. At lower volume fractions, depletion-induced attractions from crowders could be mapped according to the spherical confinement model. A result of spherical confinement was the destabilization of denatured states by disallowing extended configurations that were longer than the pore size. However, at higher volume fractions, conformational fluctuations of a protein were susceptible to the shape of the confining condition. Thus, an approximation of the spherical confinement to mimic crowding effects was no longer effective.

  7. Water

    Science.gov (United States)

    ... environment and your health: Green living Sun Water Health effects of water pollution How to protect yourself from water pollution Air Chemicals Noise Quizzes Links to more information girlshealth glossary girlshealth. ...

  8. Water in Asbestos

    CERN Document Server

    Fomin, Yu D; Tsiok, E N

    2015-01-01

    We present the molecular simulation study of the behavior of water and sodium chloride solution confined in lizardite asbestos nanotube which is a typical example of hydrophilic confinement. The local structure, orientational and dynamic properties are studied. It is shown that the diffusion coefficient drops about two orders of magnitude comparing to the bulk case, and water in lizardite asbestos tubes experiences vitrification rather then crystallization upon cooling in accordance with the results for some other hydrophilic confinements. The behavior of sodium chloride solutions also considered and the formation of double layer is observed. It is shower that both sodium and chlorine have larger diffusion coefficients then water.

  9. Confinement of light in a polarizable vacuum

    Directory of Open Access Journals (Sweden)

    Avinash Khare

    1983-01-01

    Full Text Available We show that an electrically polarizable vacuum with space-dependent permeability ε(r = μ−1(rexp(−αr2 can confine light whose quanta acquire a mass through interaction with this vacuum.

  10. Modulus-Pressure Equation for Confined Fluids

    CERN Document Server

    Gor, Gennady Y; Shen, Vincent K; Bernstein, Noam

    2016-01-01

    Ultrasonic experiments allow one to measure the elastic modulus of bulk solid or fluid samples. Recently such experiments have been carried out on fluid-saturated nanoporous glass to probe the modulus of a confined fluid. In our previous work [J. Chem. Phys., (2015) 143, 194506], using Monte Carlo simulations we showed that the elastic modulus $K$ of a fluid confined in a mesopore is a function of the pore size. Here we focus on modulus-pressure dependence $K(P)$, which is linear for bulk materials, a relation known as the Tait-Murnaghan equation. Using transition-matrix Monte Carlo simulations we calculated the elastic modulus of bulk argon as a function of pressure and argon confined in silica mesopores as a function of Laplace pressure. Our calculations show that while the elastic modulus is strongly affected by confinement and temperature, the slope of the modulus versus pressure is not. Moreover, the calculated slope is in a good agreement with the reference data for bulk argon and experimental data for ...

  11. Non-resonant Nanoscale Extreme Light Confinement

    Energy Technology Data Exchange (ETDEWEB)

    Subramania, Ganapathi Subramanian [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Huber, Dale L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2014-09-01

    A wide spectrum of photonics activities Sandia is engaged in such as solid state lighting, photovoltaics, infrared imaging and sensing, quantum sources, rely on nanoscale or ultrasubwavelength light-matter interactions (LMI). The fundamental understanding in confining electromagnetic power and enhancing electric fields into ever smaller volumes is key to creating next generation devices for these programs. The prevailing view is that a resonant interaction (e.g. in microcavities or surface-plasmon polaritions) is necessary to achieve the necessary light confinement for absorption or emission enhancement. Here we propose new paradigm that is non-resonant and therefore broadband and can achieve light confinement and field enhancement in extremely small areas [~(λ/500)^2 ]. The proposal is based on a theoretical work[1] performed at Sandia. The paradigm structure consists of a periodic arrangement of connected small and large rectangular slits etched into a metal film named double-groove (DG) structure. The degree of electric field enhancement and power confinement can be controlled by the geometry of the structure. The key operational principle is attributed to quasistatic response of the metal electrons to the incoming electromagnetic field that enables non-resonant broadband behavior. For this exploratory LDRD we have fabricated some test double groove structures to enable verification of quasistatic electronic response in the mid IR through IR optical spectroscopy. We have addressed some processing challenges in DG structure fabrication to enable future design of complex sensor and detector geometries that can utilize its non-resonant field enhancement capabilities.].

  12. Enhanced heat transfer in confined pool boiling

    NARCIS (Netherlands)

    Rops, C.M.; Lindken, R.; Velthuis, J.F.M.; Westerweel, J.

    2009-01-01

    We report the results of an experimental investigation of the heat transfer during nucleate boiling on a spatially confined boiling surface. The heat flux as a function of the boiling surface temperature was measured in pool boiling pots with diameters ranging from 15 mm down to 4.5 mm. It was found

  13. Subwavelength light confinement with surface plasmon polaritons

    NARCIS (Netherlands)

    Verhagen, E.

    2009-01-01

    In free space, the diffraction limit sets a lower bound to the size to which light can be confined. Surface plasmon polaritons (SPPs), which are electromagnetic waves bound to the interface between a metal and a dielectric, allow the control of light on subwavelength length scales. This opens up a

  14. Structure of polymer chains under confinement

    Indian Academy of Sciences (India)

    Abstract. We observe by SANS the structure of neutral polystyrene and charged polystyrene sulphonate chains in semi-dilute solutions confined in a model nanoporous glass, Vycor. The size of the free chains in solution is always larger than the pore di- ameter, 70. The use of a suitable mixture of hydrogenated and ...

  15. Analysis of thermally-degrading, confined HMX

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, M.L.; Schmitt, R.G.; Renlund, A.M.

    1996-12-01

    The response of a thermally-degrading, confined HMX pellet is analyzed using a Reactive Elastic-Plastic (REP) constitutive model which is founded on the collapse and growth of internal inclusions resulting from physical and chemical processes such as forced displacement, thermal expansion, and/or decomposition. Axial stress predictions compare adequately to data. Deficiencies in the model and future directions are discussed.

  16. Clusters of polyhedra in spherical confinement

    Science.gov (United States)

    Teich, Erin G.; van Anders, Greg; Klotsa, Daphne; Dshemuchadse, Julia; Glotzer, Sharon C.

    2016-01-01

    Dense particle packing in a confining volume remains a rich, largely unexplored problem, despite applications in blood clotting, plasmonics, industrial packaging and transport, colloidal molecule design, and information storage. Here, we report densest found clusters of the Platonic solids in spherical confinement, for up to N=60 constituent polyhedral particles. We examine the interplay between anisotropic particle shape and isotropic 3D confinement. Densest clusters exhibit a wide variety of symmetry point groups and form in up to three layers at higher N. For many N values, icosahedra and dodecahedra form clusters that resemble sphere clusters. These common structures are layers of optimal spherical codes in most cases, a surprising fact given the significant faceting of the icosahedron and dodecahedron. We also investigate cluster density as a function of N for each particle shape. We find that, in contrast to what happens in bulk, polyhedra often pack less densely than spheres. We also find especially dense clusters at so-called magic numbers of constituent particles. Our results showcase the structural diversity and experimental utility of families of solutions to the packing in confinement problem. PMID:26811458

  17. Confined surface plasmons in gold photonic nanocavities

    Energy Technology Data Exchange (ETDEWEB)

    Netti, C.; Coyle, S.; Baumberg, J.J. [Southampton Univ. (United Kingdom). Dept. of Physics and Astronomy; Ghanem, M.A.; Birkin, P.R.; Bartlett, P.N. [Southampton Univ. (United Kingdom). Dept. of Chemistry; Whittaker, D.M. [Toshiba Research Europe Ltd., Cambridge (United Kingdom)

    2001-09-14

    A simple scheme to produce large-area colored metal surfaces by completely confining surface plasmons inside gold spherical nanocavities has been discovered. The negative nanocavity curvature localizes the electromagnetic fields into small volumes, which can be arranged non-periodically. (orig.)

  18. Spinal cord compression following traditional confinement massage.

    Science.gov (United States)

    Sahathevan, R; Tan, H J; Abdullah, Suhail; Shahizon, A M M; Hamidon, B B; Raymond, A A

    2011-12-01

    We describe a case of tetraparesis in a 33-year-old woman following neck manipulation performed by a traditional confinement mid-wife. An MRI of the cervical spine revealed a fracture of the second cervical vertebra with atlanto-axial subluxation that resulted in cord compression.

  19. Capillary breakup of fluid threads within confinement

    Science.gov (United States)

    Hu, Guoqing; Xue, Chundong; Chen, Xiaodong

    2016-11-01

    Fluid thread breakup is a widespread phenomenon in nature, industry, and daily life. Driven by surface tension (or capillarity) at low flow-rate condition, the breakup scenario is usually called capillary instability or Plateau-Rayleigh instability. Fluid thread deforms under confinement of ambient fluid to form a fluid neck. Thinning of the neck at low flow-rate condition is quasistatic until the interface becomes unstable and collapses to breakup. Underlying mechanisms and universalities of both the stable and unstable thinning remain, however, unclear and even contradictory. Here we conduct new numerical and experimental studies to show that confined interfaces are not only stabilized but also destabilized by capillarity at low flow-rate condition. Capillary stabilization is attributed to confinement-determined internal pressure that is higher than capillary pressure along the neck. Two origins of capillary destabilization are identified: one is confinement-induced gradient of capillary pressure along the interface; the other is the competition between local capillary pressure and internal pressure. This work was supported by National Natural Science Foundation of China (Grant No. 11402274, 11272321, and 11572334).

  20. Ultrafast chemistry in complex and confined systems

    Indian Academy of Sciences (India)

    Self-organized molecular assemblies play a crucial role in many natural and biological processes. Recent applications of ultrafast laser spectroscopy and computer simulations revealed that chemistry in a confined environment is fundamentally different from that in ordinary solutions. Many recent examples of slow dynamics ...

  1. Effects of high sound speed confiners on ANFO detonations

    Science.gov (United States)

    Kiyanda, Charles; Jackson, Scott; Short, Mark

    2011-06-01

    The interaction between high explosive (HE) detonations and high sound speed confiners, where the confiner sound speed exceeds the HE's detonation speed, has not been thoroughly studied. The subsonic nature of the flow in the confiner allows stress waves to travel ahead of the main detonation front and influence the upstream HE state. The interaction between the detonation wave and the confiner is also no longer a local interaction, so that the confiner thickness now plays a significant role in the detonation dynamics. We report here on larger scale experiments in which a mixture of ammonium nitrate and fuel oil (ANFO) is detonated in aluminium confiners with varying charge diameter and confiner thickness. The results of these large-scale experiments are compared with previous large-scale ANFO experiments in cardboard, as well as smaller-scale aluminium confined ANFO experiments, to characterize the effects of confiner thickness.

  2. Numerical Modeling of Wave Overtopping of Buffalo Harbor Confined Disposal Facility (CDF4)

    Science.gov (United States)

    2017-10-01

    Potential errors are introduced in numerical discretization of mathematical equations, imperfect boundary conditions, and physical ERDC/CHL TR-17-18 126...military engineering, geospatial sciences , water resources, and environmental sciences for the Army, the Department of Defense, civilian agencies...Confined Disposal Facility (CDF) interior could cause contaminated sediments to mobilize and possibly exit the CDF. Physical evidence (accumulation

  3. Numerical study of a confined slot impinging jet with nanofluids

    Directory of Open Access Journals (Sweden)

    Manca Oronzio

    2011-01-01

    Full Text Available Abstract Background Heat transfer enhancement technology concerns with the aim of developing more efficient systems to satisfy the increasing demands of many applications in the fields of automotive, aerospace, electronic and process industry. A solution for obtaining efficient cooling systems is represented by the use of confined or unconfined impinging jets. Moreover, the possibility of increasing the thermal performances of the working fluids can be taken into account, and the introduction of nanoparticles in a base fluid can be considered. Results In this article, a numerical investigation on confined impinging slot jet working with a mixture of water and Al2O3 nanoparticles is described. The flow is turbulent and a constant temperature is applied on the impinging. A single-phase model approach has been adopted. Different geometric ratios, particle volume concentrations and Reynolds number have been considered to study the behavior of the system in terms of average and local Nusselt number, convective heat transfer coefficient and required pumping power profiles, temperature fields and stream function contours. Conclusions The dimensionless stream function contours show that the intensity and size of the vortex structures depend on the confining effects, given by H/W ratio, Reynolds number and particle concentrations. Furthermore, for increasing concentrations, nanofluids realize increasing fluid bulk temperature, as a result of the elevated thermal conductivity of mixtures. The local Nusselt number profiles show the highest values at the stagnation point, and the lowest at the end of the heated plate. The average Nusselt number increases for increasing particle concentrations and Reynolds numbers; moreover, the highest values are observed for H/W = 10, and a maximum increase of 18% is detected at a concentration equal to 6%. The required pumping power as well as Reynolds number increases and particle concentrations grow, which is almost 4

  4. Water

    Science.gov (United States)

    Leopold, Luna Bergere; Baldwin, Helene L.

    1962-01-01

    What do you use water for?If someone asked you this question you would probably think right away of water for drinking. Then you would think of water for bathing, brushing teeth, flushing the toilet. Your list would get longer as you thought of water for cooking, washing the dishes, running the garbage grinder. Water for lawn watering, for play pools, for swimming pools, for washing the car and the dog. Water for washing machines and for air conditioning. You can hardly do without water for fun and pleasure—water for swimming, boating, fishing, water-skiing, and skin diving. In school or the public library, you need water to wash your hands, or to have a drink. If your home or school bursts into flames, quantities of water are needed to put it out.In fact, life to Americans is unthinkable without large supplies of fresh, clean water. If you give the matter a little thought, you will realize that people in many countries, even in our own, may suffer from disease and dirt simply because their homes are not equipped with running water. Imagine your own town if for some reason - an explosion, perhaps - water service were cut off for a week or several weeks. You would have to drive or walk to a neighboring town and bring water back in pails. Certainly if people had to carry water themselves they might not be inclined to bathe very often; washing clothes would be a real chore.Nothing can live without water. The earth is covered by water over three-fourths of its surface - water as a liquid in rivers, lakes and oceans, and water as ice and snow on the tops of high mountains and in the polar regions. Only one-quarter of our bodies is bone and muscle; the other three-fourths is made of water. We need water to live, and so do plants and animals. People and animals can live a long time without food, but without water they die in a few days. Without water, everything would die, and the world would turn into a huge desert.

  5. Structural behavior of supercritical fluids under confinement

    Science.gov (United States)

    Ghosh, Kanka; Krishnamurthy, C. V.

    2018-01-01

    The existence of the Frenkel line in the supercritical regime of a Lennard-Jones (LJ) fluid shown through molecular dynamics (MD) simulations initially and later corroborated by experiments on argon opens up possibilities of understanding the structure and dynamics of supercritical fluids in general and of the Frenkel line in particular. The location of the Frenkel line, which demarcates two distinct physical states, liquidlike and gaslike within the supercritical regime, has been established through MD simulations of the velocity autocorrelation (VACF) and radial distribution function (RDF). We, in this article, explore the changes in the structural features of supercritical LJ fluid under partial confinement using atomistic walls. The study is carried out across the Frenkel line through a series of MD simulations considering a set of thermodynamics states in the supercritical regime (P =5000 bar, 240 K ≤T ≤1500 K ) of argon well above the critical point. Confinement is partial, with atomistic walls located normal to z and extending to "infinity" along the x and y directions. In the "liquidlike" regime of the supercritical phase, particles are found to be distributed in distinct layers along the z axis with layer spacing less than one atomic diameter and the lateral RDF showing amorphous-like structure for specific spacings (packing frustration) and non-amorphous-like structure for other spacings. Increasing the rigidity of the atomistic walls is found to lead to stronger layering and increased structural order. For confinement with reflective walls, layers are found to form with one atomic diameter spacing and the lateral RDF showing close-packed structure for the smaller confinements. Translational order parameter and excess entropy assessment confirms the ordering taking place for atomistic wall and reflective wall confinements. In the "gaslike" regime of the supercritical phase, particle distribution along the spacing and the lateral RDF exhibit features

  6. Water

    Science.gov (United States)

    ... the tap as described). 3. In all situations, drink or cook only with water that comes out of the tap cold. Water that comes out of the tap warm or hot can contain much higher levels of lead. Boiling ...

  7. Extra-dimensional confinement of quantum particles

    CERN Document Server

    Hedin, Eric R

    2016-01-01

    A basic theoretical framework is developed in which elementary particles have a component of their wave function extending into higher spatial dimensions. This model postulates an extension of the Schrodinger equation to include a 4th and 5th spatial component. A higher-dimensional simple harmonic oscillator confining potential localizes particles into 3-d space, characterizing the brane tension which confines Standard Model particles to the sub-manifold. Quantum effects allow a non-zero probability for a particle's evanescent existence in the higher dimensions, and suggest an experimental test for the validity of this model via particles being temporarily excited into the first excited state of the extra-dimensional potential well, in which their probability of existing in 3-d space transiently drops to zero. Several consistency checks of the outcomes of this extra-dimensional model are included in this paper. Among the outcomes of this model are: a match with the quantum phenomenon of zitterbewegung; the pr...

  8. Compaction of granular material inside confined geometries

    Directory of Open Access Journals (Sweden)

    Benjy eMarks

    2015-06-01

    Full Text Available In both nature and the laboratory, loosely packed granular materials are often compacted inside confined geometries. Here, we explore such behaviour in a quasi-two dimensional geometry, where parallel rigid walls provide the confinement. We use the discrete element method to investigate the stress distribution developed within the granular packing as a result of compaction due to the displacement of a rigid piston. We observe that the stress within the packing increases exponentially with the length of accumulated grains, and show an extension to current analytic models which fits the measured stress. The micromechanical behaviour is studied for a range of system parameters, and the limitations of existing analytic models are described. In particular, we show the smallest sized systems which can be treated using existing models. Additionally, the effects of increasing piston rate, and variations of the initial packing fraction, are described.

  9. Scanning gate imaging in confined geometries

    OpenAIRE

    Steinacher, R.; Kozikov, A. A.; Rössler, C.; Reichl, C.; Wegscheider, W.; Ensslin, K.; Ihn, T.

    2016-01-01

    This article reports on tunable electron backscattering investigated with the biased tip of a scanning force microscope. Using a channel defined by a pair of Schottky gates, the branched electron flow of ballistic electrons injected from a quantum point contact is guided by potentials of a tunable height well below the Fermi energy. The transition from injection into an open two-dimensional electron gas to a strongly confined channel exhibits three experimentally distinct regimes: one in whic...

  10. Confinement in anti-de Sitter space

    Science.gov (United States)

    Aharony, Ofer; Berkooz, Micha; Tong, David; Yankielowicz, Shimon

    2013-02-01

    Four dimensional gauge theories in anti-de Sitter space, including pure Yang-Mills theory, exhibit a quantum phase transition between a deconfined phase and a confined phase as the gauge coupling is varied. We explore various mechanisms by which this may occur, both in a fixed background and in the presence of gravity. We also make a number of observations on the dynamics of four dimensional supersymmetric gauge theories in anti-de Sitter space.

  11. A dynamical model for plasma confinement transitions

    Science.gov (United States)

    Pilarczyk, Paweł; García, Luis; Carreras, Benjamin A.; Llerena, Irene

    2012-03-01

    A three-equation model describing the evolution of the turbulence level, averaged shear flow and sheared zonal flow is analyzed using topological properties of the asymptotic solutions. An exploration in parameter space is done, identifying the attractor sets, which are fixed points and limit cycles. Then a more detailed analysis of all Morse sets is conducted using topological-combinatorial computations. This model allows the description of different types of transitions to improved plasma confinement regimes.

  12. Rheology of Confined Non-Brownian Suspensions.

    Science.gov (United States)

    Fornari, Walter; Brandt, Luca; Chaudhuri, Pinaki; Lopez, Cyan Umbert; Mitra, Dhrubaditya; Picano, Francesco

    2016-01-08

    We study the rheology of confined suspensions of neutrally buoyant rigid monodisperse spheres in plane-Couette flow using direct numerical simulations. We find that if the width of the channel is a (small) integer multiple of the sphere diameter, the spheres self-organize into two-dimensional layers that slide on each other and the effective viscosity of the suspension is significantly reduced. Each two-dimensional layer is found to be structurally liquidlike but its dynamics is frozen in time.

  13. Engineered barriers for radioactive waste confinement

    OpenAIRE

    Fernández, R

    2011-01-01

    Nuclear power plants generate long-lived radioactive waste of high toxicity. The security assessment of repositories destined to definitive confinement of radioactive waste has been studied for several decades. Deep geological repositories are technically feasible and begin to be built by some pioneer countries. The scientific evaluation of interactions between the different engineered barriers is studied by laboratory experiments, natural analogues and modeling studies. The three methods are...

  14. The functionality-based application confinement model

    OpenAIRE

    Schreuders, ZC; Payne, C.; Mcgill, T.

    2013-01-01

    This paper presents the functionality-based application confinement (FBAC) access control model. FBAC is an application-oriented access control model, intended to restrict processes to the behaviour that is authorised by end users, administrators, and processes, in order to limit the damage that can be caused by malicious code, due to software vulnerabilities or malware. FBAC is unique in its ability to limit applications to finely grained access control rules based on high-level easy-to-unde...

  15. Spectral confinement and current for atoms in strong magnetic fields

    DEFF Research Database (Denmark)

    Fournais, Søren

    2007-01-01

    e study confinement of the ground state of atoms in strong magnetic fields to different subspaces related to the lowest Landau band. Using the results on confinement we can calculate the quantum current in the entire semiclassical region B<3......e study confinement of the ground state of atoms in strong magnetic fields to different subspaces related to the lowest Landau band. Using the results on confinement we can calculate the quantum current in the entire semiclassical region B

  16. Chemical reactions confined within carbon nanotubes.

    Science.gov (United States)

    Miners, Scott A; Rance, Graham A; Khlobystov, Andrei N

    2016-08-22

    In this critical review, we survey the wide range of chemical reactions that have been confined within carbon nanotubes, particularly emphasising how the pairwise interactions between the catalysts, reactants, transition states and products of a particular molecular transformation with the host nanotube can be used to control the yields and distributions of products of chemical reactions. We demonstrate that nanoscale confinement within carbon nanotubes enables the control of catalyst activity, morphology and stability, influences the local concentration of reactants and products thus affecting equilibria, rates and selectivity, pre-arranges the reactants for desired reactions and alters the relative stability of isomeric products. We critically evaluate the relative advantages and disadvantages of the confinement of chemical reactions inside carbon nanotubes from a chemical perspective and describe how further developments in the controlled synthesis of carbon nanotubes and the incorporation of multifunctionality are essential for the development of this ever-expanding field, ultimately leading to the effective control of the pathways of chemical reactions through the rational design of multi-functional carbon nanoreactors.

  17. Confined Tube Crimp Using Portable Hand Tools

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, Joseph James [Los Alamos National Laboratory; Pereyra, R. A. [LANL Retired; Archuleta, Jeffrey Christopher [Los Alamos National Laboratory; Martinez, Isaac P. [Los Alamos National Laboratory; Nelson, A. M. [MST-16 Summer Student (2007); Allen, Ronald Scott [Los Alamos National Laboratory; Page, R. L. [LANL Retired; Freer, Jerry Eugene [Los Alamos National Laboratory; Dozhier, Nathan Gus [Los Alamos National Laboratory

    2016-04-04

    The Lawrence Radiation Laboratory developed handheld tools that crimp a 1/16 inch OD tube, forming a leak tight seal1 (see Figure 1). The leak tight seal forms by confining the 1/16 inch OD tubing inside a die while applying crimp pressure. Under confined pressure, the tube walls weld at the crimp. The purpose of this study was to determine conditions for fabricating a leak tight tube weld. The equipment was used on a trial-and-error basis, changing the conditions after each attempt until successful welds were fabricated. To better confine the tube, the die faces were polished. Polishing removed a few thousandths of an inch from the die face, resulting in a tighter grip on the tubing wall. Using detergent in an ultrasonic bath, the tubing was cleaned. Also, the time under crimp pressure was increased to 30 seconds. With these modifications, acceptable cold welds were fabricated. After setting the conditions for an acceptable cold weld, the tube was TIG welded across the crimped face.

  18. CATTLE PRODUCTIVE PERFORMANCE EVALUATION CONFINED SUBMITTED IMMUNOCASTRATION

    Directory of Open Access Journals (Sweden)

    J. M. Maluf

    2016-09-01

    Full Text Available In order to evaluate the performance and carcass characteristics of cattle cross breeds ½ Aberdeen Angus x ½Nelore and Nelore confined submitted to immunocastration 218 male animals were used, feedlot, averaging 342 kg, divided into three experimental groups, T1: 117 steers ½ Angus x ½ Nelore no castrated (ANC, T2: 51 Nelore steers uncastrated (NNC and T3: 50 Nellore steers immunocastrated (NIC. The experiment lasted 144 days of confinement. The selection of animals for group formation was according to the individual weight, breed, sex condition and age. For immunocastration it wasused Bopriva® vaccine. The rating was finished according to the parameter used by the meatpacking industry ranging from 1 to 5. The experimental design was completely randomized in three groups. For the analyzes the variables studied statistics were submitted to analysis of variance (ANOVA and Tukey test both at the 5% level of significance. The results showed differences (p <0.01 at various features of productive performance and carcass between treatments. For slaughter weight, the ANC animals were higher (with 582.1 kg to Nelore, regardless of sexual condition, and the NNC were in turn heavier than the NIC, 527.4 and 503.7 respectively. Finally, it observed that the use of immunocastration in Nellore animals provided a decrease in productive performance of confined animals, but provided better finish carcass similar to crossbred (ANC.

  19. Dynamics of Hyperbranched Polymers under Confinement

    Science.gov (United States)

    Androulaki, Krystallenia; Chrissopoulou, Kiriaki; Anastasiadis, Spiros H.; Prevosto, Daniele; Labardi, Massimiliano

    2015-03-01

    The effect of severe confinement on the dynamics of three different generations of hyperbranched polyesters (Boltorns) is investigated by Dielectric Spectroscopy. The polymers are intercalated within the galleries of natural Na+-MMT, thus, forming 1nm polymer films confined between solid walls. The Tg's of the polymers determined by DSC show a clear dependence on the generation whereas the transition is completely suppressed when all the polymer chains are intercalated. The dynamic investigation of the bulk polymers reveals two sub-Tg processes, with similar behavior for the three polymers with the segmental relaxation observed above the Tg of each. For the nanocomposites, where all polymers are severely confined, the dynamics show significant differences compared to that of the bulk polymers. The sub-Tg processes are similar for the three generations but significantly faster and with weaker temperature dependence than those in the bulk. The segmental process appears at temperatures below the bulk polymer Tg, it exhibits an Arrhenius temperature dependence and shows differences for the three generations. A slow process that appears at higher temperatures is due to interfacial polarization. Co-financed by the EU and Greek funds through the Operational Program ``Education and Lifelong Learning'' of the NSRF-Research Funding Program: THALES-Investing in knowledge society through the Eur. Social Fund (MIS 377278) and COST Action MP0902-COINAPO.

  20. Quantum Confinement at Polar Oxide Interfaces

    Science.gov (United States)

    Gariglio, Stefano; Li, Danfeng; Wu, Zhenping; Liu, Wei; Fete, Alexandre; Boselli, Margherita; Lemal, Sebastien; Bristowe, Nicholas; Ghosez, Philippe; Gabay, Marc; Triscone, Jean-Marc

    The discovery of a two-dimensional electron liquid (2DEL), confined at the interface between the two band insulators LaAlO3 (LAO) and SrTiO3 (STO) has generated tremendous research interest. The 2DEL confinement lifts the degeneracy of Ti t2 g orbitals and promotes exotic physical properties. A previous study has demonstrated that a 2DEL is also observed when LAO is alloyed with STO (La,Al)1-x(Sr,Ti)xO3 (LASTO: x). The threshold thickness required for the onset of conductivity scales with x. We present here a study of superconductivity at the (LASTO:0.5)/STO interface. The thickness of the 2DEL, measured using perpendicular and parallel critical fields, is larger than the one at the LAO/STO interface. This change is due to a modification on the confining potential linked to a reduced charge transfer that is scaling as 1 / x . This scenario is also confirmed by a self-consistent Poisson-Schrödinger model and ab initio calculations. These compelling evidences support an intrinsic origin to the formation of the 2DEL in the LAO/STO system.

  1. Confined Turbulent Swirling Recirculating Flow Predictions. Ph.D. Thesis

    Science.gov (United States)

    Abujelala, M. T.

    1984-01-01

    Turbulent swirling flow, the STARPIC computer code, turbulence modeling of turbulent flows, the k-xi turbulence model and extensions, turbulence parameters deduction from swirling confined flow measurements, extension of the k-xi to confined swirling recirculating flows, and general predictions for confined turbulent swirling flow are discussed.

  2. Dielectric relaxations of confined water in porous silica ceramics

    Indian Academy of Sciences (India)

    Theseanalyses revealed a great similarity in the ice-like structure for both ceramics. However, the lateral surface state of the samplemight enhance the dielectric strength of the first relaxation when lateral pores are sealed. Furthermore, it might improve thewater–inner surfaces interaction when lateral pores are opened.

  3. Dielectric relaxations of confined water in porous silica ceramics

    Indian Academy of Sciences (India)

    2017-12-06

    Dec 6, 2017 ... 2Acoustic Laboratory, Maine University, 72085 Le Mans, France. 3Laboratory of Composite Materials, Ceramics and Polymers, University of Sfax, 3018 Sfax, Tunisia. 4Laboratory IMMM-PEC, UMRCNRS 628, Maine University, 72085 Le Mans, France. ∗. Author for correspondence (trikilamacop@yahoo.fr).

  4. Innovative technology summary report: Confined sluicing end effector

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-09-01

    A Confined Sluicing End-Effector (CSEE) was field tested during the summer of 1997 in Tank W-3, one of the Gunite and Associated Tanks (GAAT) at the Oak Ridge Reservation (ORR). It should be noted that the specific device used at the Oak Ridge Reservation demonstration was the Sludge Retrieval End-Effector (SREE), although in common usage it is referred to as the CSEE. Deployed by the Modified Light-Duty Utility Arm (MLDUA) and the Houdini remotely operated vehicle (ROV), the CSEE was used to mobilize and retrieve waste from the tank. After removing the waste, the CSEE was used to scarify the gunite walls of Tank W-3, removing approximately 0.1 in of material. The CSEE uses three rotating water-jets to direct a short-range pressurized jet of water to effectively mobilize the waste. Simultaneously, the water and dislodged tank waste, or scarified materials, are aspirated using a water-jet pump-driven conveyance system. The material is then pumped outside of the tank, where it can be stored for treatment. The technology, its performance, uses, cost, and regulatory issues are discussed.

  5. Influence of confinement by smooth and rough walls on particle dynamics in dense hard-sphere suspensions.

    Science.gov (United States)

    Eral, H B; van den Ende, D; Mugele, F; Duits, M H G

    2009-12-01

    We used video microscopy and particle tracking to study the dynamics of confined hard-sphere suspensions. Our fluids consisted of 1.1-microm-diameter silica spheres suspended at volume fractions of 0.33-0.42 in water-dimethyl sulfoxide. Suspensions were confined in a quasiparallel geometry between two glass surfaces: a millimeter-sized rough sphere and a smooth flat wall. First, as the separation distance (H) is decreased from 18 to 1 particle diameter, a transition takes place from a subdiffusive behavior (as in bulk) at large H, to completely caged particle dynamics at small H. These changes are accompanied by a strong decrease in the amplitude of the mean-square displacement (MSD) in the horizontal plane parallel to the confining surfaces. In contrast, the global volume fraction essentially remains constant when H is decreased. Second, measuring the MSD as a function of distance from the confining walls, we found that the MSD is not spatially uniform but smaller close to the walls. This effect is the strongest near the smooth wall where layering takes place. Although confinement also induces local variations in volume fraction, the spatial variations in MSD can be attributed only partially to this effect. The changes in MSD are predominantly a direct effect of the confining surfaces. Hence, both the wall roughness and the separation distance (H) influence the dynamics in confined geometries.

  6. Energy confinement scaling from the international stellarator database

    Energy Technology Data Exchange (ETDEWEB)

    Stroth, U. [Max-Planck-Institut fuer Plasmaphysik, Garching (Germany); Murakami, M.; Dory, R.A.; Yamada, H.; Okamura, S.; Sano, F.; Obiki, T.

    1995-09-01

    An international stellarator database on global energy confinement is presented comprising data from the ATF, CHS and Heliotron E heliotron/torsatrons and the W7-A and W7-AS shearless stellarators. Regression expressions for the energy confinement time are given for the individual devices and the combined dataset. A comparison with tokamak L mode confinement is discussed on the basis of various scaling expressions. In order to make this database available to interested colleagues, the structure of the database and the parameter list are explained in detail. More recent confinement results incorporating data from enhanced confinement regimes such as H mode are reported elsewhere. (author).

  7. Generalized inflation and confinement phase transitions in the early universe.

    Science.gov (United States)

    Patzelt, H.

    1989-10-01

    Giving up the restriction ɛ/p = const, the author shows that equations of state with ɛ-3p = Δ > 0 will be driven to the inflationary solution with ɛ = -p after sufficiently long times. Subsequently, he shows that confinement transitions may provide such an equation of state due to a change of degrees of freedom. Depending on the energy scale of the confinement transition inflation may occur during confinement. Numerical results for quark and subquark confinement are given. For QCD-confinement the transition time is too short, compared to the energy density, for a significant deviation of the scale factor to occur.

  8. Generalized inflation and confinement phase transitions in the early universe

    Energy Technology Data Exchange (ETDEWEB)

    Patzelt, H. (Muenchen Univ. (Germany, F.R.). Sektion Physik)

    1989-10-01

    Giving up the restriction {epsilon}/p=const, we show that equations of state with {epsilon}-3p={Delta}>0 will be driven to the inflationary solution with {epsilon}=-p after sufficiently long times. Subsequently, we show that confinement transitions may provide such an equation of state due to a change of degrees of freedom. Depending on the energy scale of the confinement transition inflation may occur during confinement. Numerical results for quark and subquark confinement are given. For QCD-confinement the transition time is too short, compared to the energy density, for a significant deviation of the scale factor to occur. (orig.).

  9. Improved energy confinement with nonlinear isotope effects in magnetically confined plasmas

    CERN Document Server

    Garcia, J; Jenko, F

    2016-01-01

    The efficient production of electricity from nuclear fusion in magnetically confined plasmas relies on a good confinement of the thermal energy. For more than thirty years, the observation that such confinement depends on the mass of the plasma isotope and its interaction with apparently unrelated plasma conditions has remained largely unexplained and it has become one of the main unsolved issues. By means of numerical studies based on the gyrokinetic theory, we quantitatively show how the plasma microturbulence depends on the isotope mass through nonlinear multiscale microturbulence effects involving the interplay between zonal flows, electromagnetic effects and the torque applied. This finding has crucial consequences for the design of future reactors since, in spite of the fact that they will be composed by multiple ion species, their extrapolation from present day experiments heavily relies on the knowledge obtained from a long experimental tradition based in single isotope plasmas.

  10. Confinement in a planar waveguide with porous silicon omnidirectional mirrors as confining walls

    Energy Technology Data Exchange (ETDEWEB)

    Xifre-Perez, E. [Departament d' Enginyeria Electronica, Electrica i Automatica, ETSE, Campus Sescelades, Universitat Rovira i Virgili, Avda. Paisos Catalans 26, 43007 Tarragona (Spain); Marsal, L.F. [Departament d' Enginyeria Electronica, Electrica i Automatica, ETSE, Campus Sescelades, Universitat Rovira i Virgili, Avda. Paisos Catalans 26, 43007 Tarragona (Spain)]. E-mail: lluis.marsal@urv.cat; Ferre-Borrull, J. [Departament d' Enginyeria Electronica, Electrica i Automatica, ETSE, Campus Sescelades, Universitat Rovira i Virgili, Avda. Paisos Catalans 26, 43007 Tarragona (Spain); Pallares, J. [Departament d' Enginyeria Electronica, Electrica i Automatica, ETSE, Campus Sescelades, Universitat Rovira i Virgili, Avda. Paisos Catalans 26, 43007 Tarragona (Spain)

    2006-12-15

    We present the design and study of waveguide structures based on porous silicon where the light confinement is not due to the usual total reflection effect but to the use of photonic crystals (PCs) as confining walls. These PC are omnidirectional mirrors (OMs), consisting of the periodic repetition of two porous silicon layers with different refractive indices and thicknesses. They reflect the radiation for all angles of incidence within a frequency range called the omnidirectional band gap (OBG). We have followed the PC formalism to investigate the properties of the OM as a multimode waveguide: the number of modes within the band gap, their field spatial distribution and their confinement as a function of the frequency and the core thickness.

  11. Ice nucleation at the nanoscale probes no man's land of water.

    Science.gov (United States)

    Li, Tianshu; Donadio, Davide; Galli, Giulia

    2013-01-01

    At a given thermodynamic condition, nucleation events occur at a frequency that scales with the volume of the system. Therefore at the nanoscale, one may expect to obtain supercooled liquids below the bulk homogeneous nucleation temperature. Here we report direct computational evidence that in supercooled water nano-droplets ice nucleation rates are strongly size dependent and at the nanoscale they are several orders of magnitude smaller than in bulk water. Using a thermodynamic model based on classical nucleation theory, we show that the Laplace pressure is partially responsible for the suppression of ice crystallization. Our simulations show that the nucleation rates found for droplets are similar to those of liquid water subject to a pressure of the order of the Laplace pressure within droplets. Our findings aid the interpretation of molecular beam experiments and support the hypothesis of surface crystallization of ice in microscopic water droplets in clouds.

  12. Spherical microwave confinement and ball lightning

    Science.gov (United States)

    Robinson, William Richard

    This dissertation presents the results of research done on unconventional energy technologies from 1995 to 2009. The present civilization depends on an infrastructure that was constructed and is maintained almost entirely using concentrated fuels and ores, both of which will run out. Diffuse renewable energy sources rely on this same infrastructure, and hence face the same limitations. I first examined sonoluminescence directed toward fusion, but demonstrated theoretically that this is impossible. I next studied Low Energy Nuclear Reactions and developed methods for improving results, although these have not been implemented. In 2000, I began Spherical Microwave Confinement (SMC), which confines and heats plasma with microwaves in a spherical chamber. The reactor was designed and built to provide the data needed to investigate the possibility of achieving fusion conditions with microwave confinement. A second objective was to attempt to create ball lightning (BL). The reactor featured 20 magnetrons, which were driven by a capacitor bank and operated in a 0.2 s pulse mode at 2.45 GHz. These provided 20 kW to an icosahedral array of 20 antennas. Video of plasmas led to a redesign of the antennas to provide better coupling of the microwaves to the plasma. A second improvement was a grid at the base of the antennas, which provided corona electrons and an electric field to aid quick formation of plasmas. Although fusion conditions were never achieved and ball lightning not observed, experience gained from operating this basic, affordable system has been incorporated in a more sophisticated reactor design intended for future research. This would use magnets that were originally planned. The cusp geometry of the magnetic fields is suitable for electron cyclotron resonance in the same type of closed surface that in existing reactors has generated high-temperature plasmas. Should ball lightning be created, it could be a practical power source with nearly ideal

  13. Statistical Contact Model for Confined Molecules

    Science.gov (United States)

    Santamaria, Ruben; de la Paz, Antonio Alvarez; Roskop, Luke; Adamowicz, Ludwik

    2016-08-01

    A theory that describes in a realistic form a system of atoms under the effects of temperature and confinement is presented. The theory departs from a Lagrangian of the Zwanzig type and contains the main ingredients for describing a system of atoms immersed in a heat bath that is also formed by atoms. The equations of motion are derived according to Lagrangian mechanics. The application of statistical mechanics to describe the bulk effects greatly reduces the complexity of the equations. The resultant equations of motion are of the Langevin type with the viscosity and the temperature of the heat reservoir able to influence the trajectories of the particles. The pressure effects are introduced mechanically by using a container with an atomic structure immersed in the heat bath. The relevant variables that determine the equation of state are included in the formulation. The theory is illustrated by the derivation of the equation of state for a system with 76 atoms confined inside of a 180-atom fullerene-like cage that is immersed in fluid forming the heat bath at a temperature of 350 K and with the friction coefficient of 3.0 {ps}^{-1}. The atoms are of the type believed to form the cores of the Uranus and Neptune planets. The dynamic and the static pressures of the confined system are varied in the 3-5 KBar and 2-30 MBar ranges, respectively. The formulation can be equally used to analyze chemical reactions under specific conditions of pressure and temperature, determine the structure of clusters with their corresponding equation of state, the conditions for hydrogen storage, etc. The theory is consistent with the principles of thermodynamics and it is intrinsically ergodic, of general use, and the first of this kind.

  14. Anomalous dynamics of aqueous solutions of di-propylene glycol methylether confined in MCM-41 by quasielastic neutron scattering

    Science.gov (United States)

    Swenson, Jan; Elamin, Khalid; Chen, Guo; Lohstroh, Wiebke; Sakai, Victoria Garcia

    2014-12-01

    The molecular dynamics of solutions of di-propylene glycol methylether (2PGME) and H2O (or D2O) confined in 28 Å pores of MCM-41 have been studied by quasielastic neutron scattering and differential scanning calorimetry over the concentration range 0-90 wt.% water. This system is of particular interest due to its pronounced non-monotonic concentration dependent dynamics of 2PGME in the corresponding bulk system, showing the important role of hydrogen bonding for the dynamics. In this study we have elucidated how this non-monotonic concentration dependence is affected by the confined geometry. The results show that this behaviour is maintained in the confinement, but the slowest diffusive dynamics of 2PGME is now observed at a considerably higher water concentration; at 75 wt.% water in MCM-41 compared to 30 wt.% water in the corresponding bulk system. This difference can be explained by an improper mixing of the two confined liquids. The results suggest that water up to a concentration of about 20 wt.% is used to hydrate the hydrophilic hydroxyl surface groups of the silica pores, and that it is only at higher water contents the water becomes partly mixed with 2PGME. Hence, due to this partial micro-phase separation of the two liquids larger, and thereby slower relaxing, structural entities of hydrogen bonded water and 2PGME molecules can only be formed at higher water contents than in the bulk system. However, the Q-dependence is unchanged with confinement, showing that the nature of the molecular motions is preserved. Thus, there is no indication of localization of the dynamics at length scales of less than 20 Å. The dynamics of both water and 2PGME is strongly dominated by translational diffusion at a temperature of 280 K.

  15. Confining quark condensate model of the nucleon.

    Energy Technology Data Exchange (ETDEWEB)

    Frank, Michael; Tandy, Peter

    1992-07-01

    We obtain a mean-field solution for the nucleon as a quark-meson soliton obtained from the action of the global color-symmetry model of QCD. All dynamics is generated from an effective interaction of quark currents. At the quark-meson level there are two novel features: (1) absolute confinement is produced from the space-time structure of the dynamical self-energy in the vacuum quark propagator; and (2) the related scalar meson field is an extended q-barq composite that couples nonlocally to quarks. The influence of these features upon the nucleon mass contributions and other nucleon properties is presented.

  16. The Gribov theory of quark confinement

    CERN Document Server

    2001-01-01

    V N Gribov, one of the founders of modern particle physics, shaped our understanding of QCD as the microscopic dynamics of hadrons. This volume collects his papers on quark confinement, showing the road he followed to arrive at the theory and formulating the theory itself. It begins with papers providing a beautiful physical explanation of asymptotic freedom based on the phenomenon of antiscreening and demonstrating the inconsistency of the standard perturbative treatment of the gluon fields (Gribov copies, Gribov horizon). It continues with papers presenting the Gribov theory according to whi

  17. Isolation and confinement - Considerations for colonization

    Science.gov (United States)

    Akins, F. R.

    1978-01-01

    This paper discusses three types of isolation (sensory/perceptual, temporal, and social) that could adversely affect mankind in space. The literature dealing with laboratory and field experiments relevant to these areas is summarized and suggestions are given for dealing with these problems within the space colony community. Also, consideration is given to the potential effects of physical confinement and the need for usable space. Finally, a modification of Maslow's hierarchy of needs is proposed as a theoretical framework to understand and investigate mankind's psychological needs in space.

  18. Honeycomb optical lattices with harmonic confinement

    DEFF Research Database (Denmark)

    Jacobsen, Jens Kusk Block; Nygaard, Nicolai

    2010-01-01

    We consider the fate of the Dirac points in the spectrum of a honeycomb optical lattice in the presence of a harmonic confining potential. By numerically solving the tight binding model, we calculate the density of states and find that the energy dependence can be understood from analytical...... arguments. In addition, we show that the density of states of the harmonically trapped lattice system can be understood by application of a local density approximation based on the density of states in the homogeneous lattice. The Dirac points are found to survive locally in the trap as evidenced...

  19. Diamond Ablators for Inertial Confinement Fusion

    Energy Technology Data Exchange (ETDEWEB)

    Biener, J; Mirkarimi, P B; Tringe, J W; Baker, S L; Wang, Y M; Kucheyev, S O; Teslich, N E; Wu, K J; Hamza, A V; Wild, C; Woerner, E; Koidl, P; Bruehne, K; Fecht, H

    2005-06-21

    Diamond has a unique combination of physical properties for the inertial confinement fusion ablator application, such as appropriate optical properties, high atomic density, high yield strength, and high thermal conductivity. Here, we present a feasible concept to fabricate diamond ablator shells. The fabrication of diamond capsules is a multi-step process, which involves diamond chemical vapor deposition on silicon mandrels followed by polishing, microfabrication of holes, and removing of the silicon mandrel by an etch process. We also discuss the pros and cons of coarse-grained optical quality and nanocrystalline chemical vapor deposition diamond films for the ablator application.

  20. Magnetic confinement of repelling Bloch walls

    Science.gov (United States)

    Magyari, E.; Thomas, H.

    1992-01-01

    In a ferromagnet with orthorhombic magneto-crystalline anisotropy, two repelling 180° domain walls (π kinks) can be pushed together to form a 360° domain wall (2π kink) by applying a magnetic field in the easy direction. We show that such a magnetically confined static 360° plane domain wall with Bloch-like structure, connecting two semi-infinite domains with parallel spin orientation, is linearly stable only below a critical strength Bc of the applied field. At B = Bc it becomes unstable with respect to a mode with spin component along the hard direction.

  1. Confinement of Reinforced-Concrete Columns with Non-Code Compliant Confining Reinforcement plus Supplemental Pen-Binder

    Directory of Open Access Journals (Sweden)

    Anang Kristianto

    2012-11-01

    Full Text Available One of the important requirements for earthquake resistant building related to confinement is the use of seismic hooks in the hoop or confining reinforcement of reinforced-concrete column elements. However, installation of a confining reinforcement with a 135-degree hook is not easy. Therefore, in practice, many construction workers apply a confining reinforcement with a 90-degreehook (non-code compliant. Based on research and records of recent earthquakes in Indonesia, the use of a non-code compliant confining reinforcement for concrete columns produces structures with poor seismic performance. This paper presents a study that introduces an additional element that is expected to improve the effectiveness of concrete columns confined with a non-code compliant confining reinforcement. The additional element, named a pen-binder, is used to keep the non-code compliant confining reinforcement in place. The effectiveness of this element under pure axial concentric loading was investigatedcomprehensively.The specimens tested in this study were 18 concrete columns,with a cross-section of 170 mm x 170 mm and a height of 480 mm. The main test variables were the material type of the pen-binder, the angle of the hook, and the confining reinforcement configuration.The test results indicate that adding pen-binders can effectively improve the strength and ductility of the column specimens confined with a non-code compliant confining reinforcement

  2. Water

    CSIR Research Space (South Africa)

    Van Wyk, Llewellyn V

    2010-08-01

    Full Text Available , and of the remaining 2,5 percent, some 70 percent is frozen in the polar caps and around 30 percent is present as soil moisture or in underground aquifers. Less than 1 percent is thus accessible for direct use by humans, animals and plants. Consequently... be serviced with harvested water and/or grey water. Conserve and reuse cooling tower water by using efficient systems and strategies. Avoid ?once-through systems? commonly used for evaporation coolers, ice makers, hydraulic equipment, and air compressors...

  3. Confinement and the supercritical Pomeron in QCD

    Science.gov (United States)

    White, Alan R.

    1998-10-01

    Deep-inelastic diffractive scaling violations have provided fundamental insight into the QCD Pomeron, suggesting a single-gluon inner structure rather than that of a perturbative two-gluon bound state. This paper derives a high-energy, transverse momentum cutoff, confining solution of QCD. The Pomeron, in a first approximation, is a single Reggeized gluon plus a ``wee-parton'' component that compensates for the color and particle properties of the gluon. This solution corresponds to a supercritical phase of Reggeon field theory. Beginning with the multi-Regge behavior of massive quark and gluon amplitudes, Reggeon unitarity is used to derive a Reggeon diagram description of a wide class of multi-Regge amplitudes, including those describing the formation and scattering of bound-state Regge poles. When quark and gluon masses are taken to zero, a logarithmic divergence is produced by helicity-flip Reggeon interactions containing the infrared quark triangle anomaly. With the gauge symmetry partially broken, this divergence selects the bound states and amplitudes of a confining theory. Both the Pomeron and hadrons have an anomalous color-parity wee-parton component. For the Pomeron the wee-parton component determines that it carries negative color charge parity and that the leading singularity is an isolated Regge pole.

  4. Velocity Dependence of Friction of Confined Hydrocarbons

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, Vladimir N.; Persson, Bo N. J.

    2010-01-01

    We present molecular dynamics friction calculations for confined hydrocarbon “polymer” solids with molecular lengths from 20 to 1400 carbon atoms. Two cases are considered: (a) polymer sliding against a hard substrate and (b) polymer sliding on polymer. We discuss the velocity dependence of the f......We present molecular dynamics friction calculations for confined hydrocarbon “polymer” solids with molecular lengths from 20 to 1400 carbon atoms. Two cases are considered: (a) polymer sliding against a hard substrate and (b) polymer sliding on polymer. We discuss the velocity dependence...... of the frictional shear stress for both cases. In our simulations, the polymer films are very thin (∼3 nm), and the solid walls are connected to a thermostat at a short distance from the polymer slab. Under these circumstances we find that frictional heating effects are not important, and the effective temperature...... in the polymer film is always close to the thermostat temperature. In the first setup (a), for hydrocarbons with molecular lengths from 60 to 1400 carbon atoms, the shear stresses are nearly independent of molecular length, but for the shortest hydrocarbon C20H42 the frictional shear stress is lower. In all...

  5. Nematode Locomotion in Unconfined and Confined Fluids

    CERN Document Server

    Bilbao, Alejandro; Vanapalli, Siva; Blawzdziewicz, Jerzy

    2013-01-01

    The millimeter-long soil-dwelling nematode {\\it C. elegans} propels itself by producing undulations that propagate along its body and turns by assuming highly curved shapes. According to our recent study [PLoS ONE \\textbf{7}, e40121 (2012)] all these postures can be accurately described by a piecewise-harmonic-curvature (PHC) model. We combine this curvature-based description with highly accurate hydrodynamic bead models to evaluate the normalized velocity and turning angles for a worm swimming in an unconfined fluid and in a parallel-wall cell. We find that the worm moves twice as fast and navigates more effectively under a strong confinement, due to the large transverse-to-longitudinal resistance-coefficient ratio resulting from the wall-mediated far-field hydrodynamic coupling between body segments. We also note that the optimal swimming gait is similar to the gait observed for nematodes swimming in high-viscosity fluids. Our bead models allow us to determine the effects of confinement and finite thickness...

  6. Coronal Electron Confinement by Double Layers

    CERN Document Server

    Li, T C; Swisdak, M

    2014-01-01

    In observations of flare-heated electrons in the solar corona, a longstanding problem is the unexplained prolonged lifetime of the electrons compared to their transit time across the source. This suggests confinement. Recent particle-in-cell (PIC) simulations, which explored the transport of pre-accelerated hot electrons through ambient cold plasma, showed that the formation of a highly localized electrostatic potential drop, in the form of a double layer (DL), significantly inhibited the transport of hot electrons (T.C. Li, J.F. Drake, and M. Swisdak, 2012, ApJ, 757, 20). The effectiveness of confinement by a DL is linked to the strength of the DL as defined by its potential drop. In this work, we investigate the scaling of the DL strength with the hot electron temperature by PIC simulations, and find a linear scaling. We demonstrate that the strength is limited by the formation of parallel shocks. Based on this, we analytically determine the maximum DL strength, and find also a linear scaling with the hot e...

  7. Quantum chromodynamics near the confinement limit

    Energy Technology Data Exchange (ETDEWEB)

    Quigg, C.

    1985-09-01

    These nine lectures deal at an elementary level with the strong interaction between quarks and its implications for the structure of hadrons. Quarkonium systems are studied as a means for measuring the interquark interaction. This is presumably (part of) the answer a solution to QCD must yield, if it is indeed the correct theory of the strong interactions. Some elements of QCD are reviewed, and metaphors for QCD as a confining theory are introduced. The 1/N expansion is summarized as a way of guessing the consequences of QCD for hadron physics. Lattice gauge theory is developed as a means for going beyond perturbation theory in the solution of QCD. The correspondence between statistical mechanics, quantum mechanics, and field theory is made, and simple spin systems are formulated on the lattice. The lattice analog of local gauge invariance is developed, and analytic methods for solving lattice gauge theory are considered. The strong-coupling expansion indicates the existence of a confining phase, and the renormalization group provides a means for recovering the consequences of continuum field theory. Finally, Monte Carlo simulations of lattice theories give evidence for the phase structure of gauge theories, yield an estimate for the string tension characterizing the interquark force, and provide an approximate description of the quarkonium potential in encouraging good agreement with what is known from experiment.

  8. Holographic quenches in a confined phase

    Science.gov (United States)

    Myers, Robert C.; Rozali, Moshe; Way, Benson

    2017-12-01

    We investigate quenches of holographic theories in a confined phase, where the energy injected is insufficient to reach the deconfined phase. In such quenches, thermalization is not associated with gravitational collapse and the formation of a black hole. Nevertheless, we attempt to characterize the late-time state of this scenario. We check a number of notions of thermalization that do not require horizon formation, and find no evidence for thermalization, or even equilibration, for our chosen parameters and initial states. We find that the post-quench behaviour of both local and nonlocal observables exhibit oscillatory behaviour rather than decaying towards equilibrium. We generally find that the response of the nonlocal observables is smoother than that of the local ones. We discuss mechanisms which generate such smoothing, as well as ‘beats’ which appear in the time-dependence of the nonlocal operators for certain classes of quenches. When tuning the quench parameters such that the smoothing is ineffective, we are able to perform ‘entanglement spectroscopy, recovering the spectrum of the confined phase of the theory from the time dependence of the entanglement entropy, as well as other nonlocal observables.

  9. Polymers confined between two parallel plane walls

    Science.gov (United States)

    Hsu, Hsiao-Ping; Grassberger, Peter

    2004-01-01

    Single three-dimensional polymers confined to a slab, i.e., to the region between two parallel plane walls, are studied by Monte Carlo simulations. They are described by N-step walks on a simple cubic lattice confined to the region 1⩽z⩽D. The simulations cover both regions D≪RF and D≫RF (where RF˜Nν is the Flory radius, with ν≈0.587), as well as the cross-over region in between. Chain lengths are up to N=80 000, slab widths up to D=120. In order to test the analysis program and to check for finite size corrections, we actually studied three different models: (a) ordinary random walks (mimicking Θ polymers); (b) self-avoiding walks; and (c) Domb-Joyce walks with the self-repulsion tuned to the point where finite size corrections for free (unrestricted) chains are minimal. For the simulations we employ the pruned-enriched-Rosenbluth method with Markovian anticipation. In addition to the partition sum (which gives us a direct estimate of the forces exerted onto the walls), we measure the density profiles of monomers and of end points transverse to the slab, and the radial extent of the chain parallel to the walls. All scaling laws and some of the universal amplitude ratios are compared to theoretical predictions.

  10. Water

    Directory of Open Access Journals (Sweden)

    E. Sanmuga Priya

    2017-05-01

    Full Text Available Phytoremediation through aquatic macrophytes treatment system (AMATS for the removal of pollutants and contaminants from various natural sources is a well established environmental protection technique. Water hyacinth (Eichhornia crassipes, a worst invasive aquatic weed has been utilised for various research activities over the last few decades. The biosorption capacity of the water hyacinth in minimising various contaminants present in the industrial wastewater is well studied. The present review quotes the literatures related to the biosorption capacity of the water hyacinth in reducing the concentration of dyestuffs, heavy metals and minimising certain other physiochemical parameters like TSS (total suspended solids, TDS (total dissolved solids, COD (chemical oxygen demand and BOD (biological oxygen demand in textile wastewater. Sorption kinetics through various models, factors influencing the biosorption capacity, and role of physical and chemical modifications in the water hyacinth are also discussed.

  11. Impurity confinement and transport in high confinement regimes without edge localized modes on DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    Grierson, B. A., E-mail: bgriers@pppl.gov; Nazikian, R. M.; Solomon, W. M. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States); Burrell, K. H.; Garofalo, A. M.; Belli, E. A.; Staebler, G. M.; Evans, T. E.; Smith, S. P.; Chrobak, C. [General Atomics, P.O. Box 85608, San Diego, California 92186-5608 (United States); Fenstermacher, M. E. [Lawerence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550 (United States); McKee, G. R. [Department of Engineering Physics, University of Wisconsin-Madison, Madison, Wisconsin 53796 (United States); Orlov, D. M. [Center for Energy Research, University of California San Diego, 9500 Gilman Dr., La Jolla, California 92093-0417 (United States); Chrystal, C. [University of California San Diego, 9500 Gilman Dr., La Jolla, California 92093-0417 (United States)

    2015-05-15

    Impurity transport in the DIII-D tokamak [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] is investigated in stationary high confinement (H-mode) regimes without edge localized modes (ELMs). In plasmas maintained by resonant magnetic perturbation (RMP), ELM-suppression, and QH-mode, the confinement time of fluorine (Z = 9) is equivalent to that in ELMing discharges with 40 Hz ELMs. For selected discharges with impurity injection, the impurity particle confinement time compared to the energy confinement time is in the range of τ{sub p}/τ{sub e}≈2−3. In QH-mode operation, the impurity confinement time is shown to be smaller for intense, coherent magnetic, and density fluctuations of the edge harmonic oscillation than weaker fluctuations. Transport coefficients are derived from the time evolution of the impurity density profile and compared to neoclassical and turbulent transport models NEO and TGLF. Neoclassical transport of fluorine is found to be small compared to the experimental values. In the ELMing and RMP ELM-suppressed plasma, the impurity transport is affected by the presence of tearing modes. For radii larger than the mode radius, the TGLF diffusion coefficient is smaller than the experimental value by a factor of 2–3, while the convective velocity is within error estimates. Low levels of diffusion are observed for radii smaller than the tearing mode radius. In the QH-mode plasma investigated, the TGLF diffusion coefficient is higher inside of ρ=0.4 and lower outside of 0.4 than the experiment, and the TGLF convective velocity is more negative by a factor of approximately 1.7.

  12. Phenomenological sizes of confinement regions in baryons

    Energy Technology Data Exchange (ETDEWEB)

    Brown, G.E.; Klimt, S.; Weise, W.; Rho, M.

    1988-10-01

    Standard order of magnitude estimates from QCD indicate that the radius of the quark-gluon core in the nucleon is ..lambda../sup -1//sub QCD/ > or approx. 1 fm. However, in work with the chiral bag model, we have found that the effective confinement size for low energy reactions can be as small as approx. = 1/2 fm or smaller. This shrinking of the effective confinement size has been attributed to the pressure of the pion cloud surrounding the quark core. The concept of confinement size is evidently subtle in light-quark systems, due to the chiral vacuum structure. This is indicated by the 'Cheshire Cat' phenomenon, in which physical observables tend to be insensitive to the bag radius R. We suggest that when strange quarks are present, a qualitative change occurs in the Cheshire Cat picture; in particular, we propose that strangeness provides an obstruction to this picture. We present a phenomenological indication that when strange quarks are present, the bag radius R is frozen at a value substantially larger than 0.5 fm by as much as a factor of two. Roughly speaking, the Cheshire Cat picture emerges from a near cancellation between repulsive quark kinetic and attractive pion-cloud energies in the case of the nucleon. In the ..lambda.. and ..sigma.. particles, however, replacement of one up or down quark by a strange quark removes part of the attraction from the coupling of the quarks to the pion cloud. This upsets the balance needed for the Cheshire Cat phenomenon and makes larger strange baryons more favorable energetically than the 0.5 fm ones appropriate for pure u- and d-systems. We find that magnetic moments of strange baryons favor a bag radius R approx. = 1.1 fm. We find that the excited states of the ..lambda..-hyperons favor similarly large bag radii. Somewhat less convincingly, due to perturbative effects - the bag radius appropriate to the ..delta..(1232) lies intermediate between that of the nucleon and of the stran

  13. What confines the rings of Saturn?

    Science.gov (United States)

    Tajeddine, Radwan; Nicholson, Philip D.; El Moutamid, Maryame; Longaretti, Pierre-Yves; Burns, Joseph A.

    2017-10-01

    The viscous spreading of planetary rings is believed to be counteracted by satellite torques, either through an individual resonance or through overlapping resonances (when the satellite is close to the ring edge). For the A ring of Saturn, it has been commonly believed that the satellite Janus alone can prevent the ring from spreading via its 7:6 Lindblad resonance. We discuss this common misconception and show that, in reality, the A ring is confined by the contributions from the group of satellites Pan, Atlas, Prometheus, Pandora, Janus, Epimetheus, and Mimas, whose resonances gradually decrease the angular momentum flux transported outward through the ring via density and bending waves. We further argue that this decrease in angular momentum flux occurs through the mechanism of ‘flux reversal’.We find that the Janus 7:6 torque is relatively feeble, as is the comparable torque of the nearby small satellite Atlas, each amounting to less than one-tenth of the angular momentum transport carried by the A ring. But the cumulative torques of the many other satellite resonances in the A ring sufficiently reduce the angular momentum flux through the rings so that the torques due to Janus and Atlas are effective in confining the outer edge of the ring.Furthermore, we use the magnitude of the satellites’ resonance torques to estimate the effective viscosity profile across the A ring, showing that it decreases from ~50 cm2 s-1 at the inner edge to less than ~11 cm2 s-1 at the outer edge. The gradual estimated decrease of the angular momentum flux and effective viscosity are roughly consistent with results obtained by balancing the shepherding torques from Pan and Daphnis with the viscous torque at the edges of the Encke and Keeler gaps, as well as the edge of the A ring.On the other hand, the Mimas 2:1 Lindblad resonance alone seems to be capable of confining the edge of the B ring, and contrary to the situation in the A ring, we show that the effective viscosity

  14. Duality and Confinement in Massive Antisymmetric Tensor Gauge Theories

    CERN Document Server

    Diamantini, M Cristina

    2001-01-01

    We extend the duality between massive and topologically massive antisymmetric tensor gauge theories in arbitrary space-time dimensions to include topological defects. We show explicitly that the condensation of these defects leads, in 4 dimensions, to confinement of electric strings in the two dual models. The dual phase, in which magnetic strings are confined is absent. The presence of the confinement phase explicitely found in the 4-dimensional case, is generalized, using duality arguments, to arbitrary space-time dimensions.

  15. Confined release of CO{sub 2} into the ocean

    Energy Technology Data Exchange (ETDEWEB)

    Adams, E.E.; Zhang, X.Y.; Herzog, H.J. [Massachusetts Inst. of Technology, Cambridge, MA (United States)] [and others

    1993-12-31

    To help reduce global warming, it has been proposed to sequester some CO{sub 2} in the deep ocean. However, current pipe technology is limited to about 600-650 m{sup 4}, so deeper transport requires other means. Recently, it was suggested that CO{sub 2} could be released at depths of 200 - 400 m as a concentrated seawater solution. The dense solution would form a negatively buoyant gravity current and sink to greater depth. In the following we expand our previous calculations showing that an unconfined release of CO{sub 2} will not create sufficient concentration or negative buoyancy. However, release of either compressed gaseous or liquid CO{sub 2} into an appropriately designed confinement vessel could produce sufficient concentration to transport the current to deeper water. Furthermore, such a scheme may facilitate formation of CO{sub 2} hydrate particles that are heavier than seawater, causing further sinking. A recently completed Research Needs assessment study which we conducted for DOE concludes that shallow water disposal of CO{sub 2} may be the most promising CO{sub 2} disposal option.

  16. A confined-unconfined aquifer model for subglacial hydrology

    Science.gov (United States)

    Beyer, Sebastian; Kleiner, Thomas; Humbert, Angelika

    2017-04-01

    Modeling the evolution of subglacial channels underneath ice sheets is an urgent need for ice sheet modellers, as channels affect sliding velocities and hence ice discharge. Owing to very limited observations of the subglacial hydraulic system, the development of physical models is quite restricted. Subglacial hydrology models are currently taking two different approaches: either modeling the development of a network of individual channels or modeling an equivalent porous layer where the channels are not resolved individually but modeled as a diffusive process, adjusted to reproduce the characteristic of an efficient system. Here, we use the latter approach, improving it by using a confined-unconfined aquifer model (CUAS), that allows the system to run dry in absence of sufficient water input. This ensures physical values for the water pressure. Channels are represented by adjusting the permeability and storage of the system according to projected locations of channels. The evolution of channel positions is governed by a reduced complexity model that computes channel growths according to simple rules (weighted random walks descending the hydraulic potential). As a proof of concept we present the results of the evolution of the hydrological system over time for a simple artificial glacier geometry.

  17. Generalized Lawson Criteria for Inertial Confinement Fusion

    Energy Technology Data Exchange (ETDEWEB)

    Tipton, Robert E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-08-27

    The Lawson Criterion was proposed by John D. Lawson in 1955 as a general measure of the conditions necessary for a magnetic fusion device to reach thermonuclear ignition. Over the years, similar ignition criteria have been proposed which would be suitable for Inertial Confinement Fusion (ICF) designs. This paper will compare and contrast several ICF ignition criteria based on Lawson’s original ideas. Both analytical and numerical results will be presented which will demonstrate that although the various criteria differ in some details, they are closely related and perform similarly as ignition criteria. A simple approximation will also be presented which allows the inference of each ignition parameter directly from the measured data taken on most shots fired at the National Ignition Facility (NIF) with a minimum reliance on computer simulations. Evidence will be presented which indicates that the experimentally inferred ignition parameters on the best NIF shots are very close to the ignition threshold.

  18. Ultra-Compact Electrostatic Confinement Fusion Device

    Science.gov (United States)

    Young, Garrett

    2017-10-01

    A unique, linear dual-beam configuration with an internal volume of 144 cc was simulated and operated. Deuteron ion paths were simulated using Mathematica and the electric field distribution was optimized relative to convergence density, potential well efficiency, and confinement time. The resulting cathode design is a departure from conventional systems, with gradual conical surfaces. The simulated trajectories correlated well to the observed operation, evidenced by two principle factors. First, the high transparency of the cathode due to the focused beams allowed for >1 kW operation without duration-limiting temperature rise. Second, when compared to inertial electrostatic configurations, the constructed device achieved record steady-state D-D fusion rates per internal volume including 3.7E +4 fusions/sec/cc at 52 kV applied potential and 28 mTorr operating pressure.

  19. Morphogenesis of filaments growing in flexible confinements

    Science.gov (United States)

    Vetter, R.; Wittel, F. K.; Herrmann, H. J.

    2014-07-01

    Space-saving design is a requirement that is encountered in biological systems and the development of modern technological devices alike. Many living organisms dynamically pack their polymer chains, filaments or membranes inside deformable vesicles or soft tissue-like cell walls, chorions and buds. Surprisingly little is known about morphogenesis due to growth in flexible confinements—perhaps owing to the daunting complexity lying in the nonlinear feedback between packed material and expandable cavity. Here we show by experiments and simulations how geometric and material properties lead to a plethora of morphologies when elastic filaments are growing far beyond the equilibrium size of a flexible thin sheet they are confined in. Depending on friction, sheet flexibility and thickness, we identify four distinct morphological phases emerging from bifurcation and present the corresponding phase diagram. Four order parameters quantifying the transitions between these phases are proposed.

  20. A new discipline: Confined Areas Medicine

    Directory of Open Access Journals (Sweden)

    Stefano Agostinis

    2009-08-01

    Full Text Available The Confined Areas Medicine is a new discipline devoted to a specific branch of the components of emergency services. In it convey the characteristics typical of behavioral intervention in hostile area peculiar of the National Fire Corps and the National Speleological and Alpine Corps. While not considering the natural events that cause the collapse of housing the Italian case reported in the last fifty years about two hundred structural collapses that are charged over a thousand deaths (source: ISTAT 2006. Analysis of the documents accessible to the public today we can say without fear of denials, that 25% of these deaths are due to relief late or ineffective treatment on the spot. In fact, the NFPA (National Fire Protection Association claims that 10% of victims trapped under the rubble can be saved with a location and an early recovery, which can significantly increase this percentage with the health care stabilization directly at the place of discovery.

  1. Velocity dependence of friction of confined polymers

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, V.N.; Persson, B.N.J.

    2009-01-01

    We present molecular dynamics friction calculations for confined hydrocarbon solids with molecular lengths from 20 to 1400 carbon atoms. Two cases are considered: (a) polymer sliding against a hard substrate, and (b) polymer sliding on polymer. We discuss the velocity dependence of the frictional...... shear stress for both cases. In our simulations, the polymer films are very thin (approx. 3 nm), and the solid walls are connected to a thermostat at a short distance from the polymer slab. Under these circumstances we find that frictional heating effects are not important, and the effective temperature...... in the polymer film is always close to the thermostat temperature. In the first setup (a), for hydrocarbons with molecular lengths from 60 to 1400 carbon atoms, the shear stresses are nearly independent of molecular length, but for the shortest hydrocarbon C20H42 the frictional shear stress is lower. In all...

  2. Modeling collective cell migration in geometric confinement

    Science.gov (United States)

    Tarle, Victoria; Gauquelin, Estelle; Vedula, S. R. K.; D'Alessandro, Joseph; Lim, C. T.; Ladoux, Benoit; Gov, Nir S.

    2017-06-01

    Monolayer expansion has generated great interest as a model system to study collective cell migration. During such an expansion the culture front often develops ‘fingers’, which we have recently modeled using a proposed feedback between the curvature of the monolayer’s leading edge and the outward motility of the edge cells. We show that this model is able to explain the puzzling observed increase of collective cellular migration speed of a monolayer expanding into thin stripes, as well as describe the behavior within different confining geometries that were recently observed in experiments. These comparisons give support to the model and emphasize the role played by the edge cells and the edge shape during collective cell motion.

  3. Confining standing waves in optical corrals.

    Science.gov (United States)

    Babayan, Yelizaveta; McMahon, Jeffrey M; Li, Shuzhou; Gray, Stephen K; Schatz, George C; Odom, Teri W

    2009-03-24

    Near-field scanning optical microscopy images of solid wall, circular, and elliptical microscale corrals show standing wave patterns confined inside the structures with a wavelength close to that of the incident light. The patterns inside the corrals can be tuned by changing the size and material of the walls, the wavelength of incident light, and polarization direction for elliptical corrals. Finite-difference time-domain calculations of the corral structures agree with the experimental observations and reveal that the electric and magnetic field intensities are out of phase inside the corral. A theoretical modal analysis indicates that the fields inside the corrals can be attributed to p- and s-polarized waveguide modes, and that the superposition of the propagating and evanescent modes can explain the phase differences between the fields. These experimental and theoretical results demonstrate that electromagnetic fields on a dielectric surface can be controlled in a predictable manner.

  4. Topological Spin Textures in Confined Geometries

    Science.gov (United States)

    Zang, Jiadong

    The magnetic skyrmion is a nanostructured spin texture stabilized by the spin-orbital coupling. Its nontrivial topology enables unique dynamical property and thermal stability, which give out promise on future magnetic memory devise. However, to enable its applications, it is essential to understand the skyrmion properties in confined geometries and tackle key challenges including the creation and detection of skyrmions, preferably without magnetic fields. In this talk, I will present our recent theory-experiment collaboration results, covering studies of skyrmions in nanoribbon, nanodisk, and nanowires. Zero field skyrmions and their polarization switch will be discussed. New skyrmion materials and new topological textures in helimagnet heterostructures will be presented. This work is supported by the Grant DE-SC0016424 funded by the U.S. Department of Energy, Office of Science.

  5. Dancing disclinations in confined active nematics

    Science.gov (United States)

    Shendruk, Tyler N.; Doostmohammadi, Amin; Thijssen, Kristian; Yeomans, Julia M.

    The spontaneous emergence of collective flows is a generic property of active fluids and often leads to chaotic flow patterns characterised by swirls, jets, and topological disclinations in their orientation field. However, the ability to achieve structured flows and ordered disclinations is of particular importance in the design and control of active systems. By confining an active nematic fluid within a channel, we find a regular motion of disclinations, in conjunction with a well defined and dynamic vortex lattice. As pairs of moving disclinations travel through the channel, they continually exchange partners producing a dynamic ordered state, reminiscent of Ceilidh dancing. We anticipate that this biomimetic ability to self-assemble organised topological disclinations and dynamically structured flow fields in engineered geometries will pave the road towards establishing new active topological microfluidic devices.

  6. The theory of toroidally confined plasmas

    CERN Document Server

    White, Roscoe B

    2014-01-01

    This graduate level textbook develops the theory of magnetically confined plasma, with the aim of bringing the reader to the level of current research in the field of thermonuclear fusion. It begins with the basic concepts of magnetic field description, plasma equilibria and stability, and goes on to derive the equations for guiding center particle motion in an equilibrium field. Topics include linear and nonlinear ideal and resistive modes and particle transport. It is of use to workers in the field of fusion both for its wide-ranging account of tokamak physics and as a kind of handbook or formulary. This edition has been extended in a number of ways. The material on mode-particle interactions has been reformulated and much new information added, including methodology for Monte Carlo implementation of mode destabilization. These results give explicit means of carrying out mode destabilization analysis, in particular for the dangerous fishbone mode. A new chapter on cyclotron motion in toroidal geometry has ...

  7. Structure of charged polymer chains in confined geometry.

    Energy Technology Data Exchange (ETDEWEB)

    Gilbert, E. P.; Auvray, L.; Lal, J.

    2000-12-15

    The intra- and interchain structure of sodium poly(styrenesulphonate) when free and when confined in contrast matched porous Vycor has been investigated by SANS. When confined, a peak is observed whose intensity increases with molecular weight and the 1/q scattering region is extended compared to the bulk. We infer that the chains are sufficiently extended, under the influence of confinement, to highlight the large scale disordered structure of Vycor. The asymptotic behavior of the observed interchain structure factor is = 1/q{sup 2} and = 1/q for free and confined chains respectively.

  8. Cancer cell motility: lessons from migration in confined spaces

    Science.gov (United States)

    Paul, Colin D.; Mistriotis, Panagiotis; Konstantopoulos, Konstantinos

    2017-01-01

    Time-lapse, deep-tissue imaging made possible by advances in intravital microscopy has demonstrated the importance of tumour cell migration through confining tracks in vivo. These tracks may either be endogenous features of tissues or be created by tumour or tumour-associated cells. Importantly, migration mechanisms through confining microenvironments are not predicted by 2D migration assays. Engineered in vitro models have been used to delineate the mechanisms of cell motility through confining spaces encountered in vivo. Understanding cancer cell locomotion through physiologically relevant confining tracks could be useful in developing therapeutic strategies to combat metastasis. PMID:27909339

  9. The cruel and unusual phenomenology of solitary confinement.

    Science.gov (United States)

    Gallagher, Shaun

    2014-01-01

    What happens when subjects are deprived of intersubjective contact? This paper looks closely at the phenomenology and psychology of one example of that deprivation: solitary confinement. It also puts the phenomenology and psychology of solitary confinement to use in the legal context. Not only is there no consensus on whether solitary confinement is a "cruel and unusual punishment," there is no consensus on the definition of the term "cruel" in the use of that legal phrase. I argue that we can find a moral consensus on the meaning of "cruelty" by looking specifically at the phenomenology and psychology of solitary confinement.

  10. High beta and confinement studies on TFTR

    Energy Technology Data Exchange (ETDEWEB)

    Navratil, G.A.; Bhattacharjee, A.; Iacono, R.; Mauel, M.E.; Sabbagh, S.A. (Columbia Univ., New York, NY (United States)); Kesner, J. (Massachusetts Inst. of Tech., Cambridge, MA (United States))

    1992-01-01

    A new regime of high poloidal beta operation in TFTR was developed in the course of the first two years of this project (9/25/89 to 9/24/91). Our proposal to continue this successful collaboration between Columbia University and the Massachusetts Institute of Technology with the Princeton Plasma Physics Laboratory for a three year period (9/25/91 to 9/24/94) to continue to investigate improved confinement and tokamak performance in high poloidal beta plasmas in TFTR through the DT phase of operation was approved by the DOE and this is a report of our progress during the first 9 month budget period of the three year grant (9/25/91 to 6/24/92). During the approved three year project period we plan to (1) extend and apply the low current, high QDD discharges to the operation of TFTR using Deuterium and Tritium plasma; (2) continue the analysis and plan experiments on high poloidal beta phenomena in TFTR including: stability properties, enhanced global confinement, local transport, bootstrap current, and divertor formation; (3) plan and carry out experiments on TFTR which attempt to elevate the central q to values > 2 where entry to the second stability regime is predicted to occur; and (4) collaborate on high beta experiments using bean-shaped plasmas with a stabilizing conducting shell in PBX-M. In the seven month period covered by this report we have made progress in each of these four areas through the submission of 4 TFTR Experimental Proposals and the partial execution of 3 of these using a total of 4.5 run days during the August 1991 to February 1992 run.

  11. Free Energy of a Polymer in Slit-Like Confinement across the Odijk, moderate confinement, and Bulk Regimes

    Science.gov (United States)

    Kamanzi, Albert; Leith, Jason S.; Sean, David; Berard, Daniel; Guthrie, Andrew C.; McFaul, Christopher M. J.; Slater, Gary W.; de Haan, Hendrick W.; Leslie, Sabrina R.; McGill University Team; University of Ottawa, University of Ontario Collaboration

    We directly measure the free energy of confinement for semi-flexible polymers from the nanoscale to bulk regimes in slit-like confinement. We use Convex Lens-induced Confinement (CLiC) microscopy of DNA to load and directly count molecules at equilibrium in a single chamber of smoothly increasing height. CLiC microscopy allows for direct visualization of polymers in free solution over long periods, as a function of tunable vertical confinement - from the millimeter to the nanometer scale, and within a single device. Our direct characterization of the free energy of confinement, across several orders of magnitude of applied confinement, agree with new simulations established in this work. We compare experimental results to the ``de Gennes blob model'', to theory published by Casassa, as well as to simulations by Chen and Sullivan, in appropriate regimes. This work establishes a robust platform for understanding and manipulating polymers at the nanoscale, with a wide range of applications to biomedical technologies.

  12. Summary and evaluation of hydraulic property data available for the Hanford Site upper basalt confined aquifer system

    Energy Technology Data Exchange (ETDEWEB)

    Spane, F.A. Jr.; Vermeul, V.R.

    1994-09-01

    Pacific Northwest Laboratory, as part of the Hanford Site Ground-Water Surveillance Project, examines the potential for offsite migration of contamination within the upper basalt confined aquifer system. For the past 40 years, hydrologic testing of the upper basalt confined aquifer has been conducted by a number of Hanford Site programs. Hydraulic property estimates are important for evaluating aquifer flow characteristics (i.e., ground-water flow patterns, flow velocity, transport travel time). Presented are the first comprehensive Hanford Site-wide summary of hydraulic properties for the upper basalt confined aquifer system (i.e., the upper Saddle Mountains Basalt). Available hydrologic test data were reevaluated using recently developed diagnostic test analysis methods. A comparison of calculated transmissivity estimates indicates that, for most test results, a general correspondence within a factor of two between reanalysis and previously reported test values was obtained. For a majority of the tests, previously reported values are greater than reanalysis estimates. This overestimation is attributed to a number of factors, including, in many cases, a misapplication of nonleaky confined aquifer analysis methods in previous analysis reports to tests that exhibit leaky confined aquifer response behavior. Results of the test analyses indicate a similar range for transmissivity values for the various hydro-geologic units making up the upper basalt confined aquifer. Approximately 90% of the calculated transmissivity values for upper basalt confined aquifer hydrogeologic units occur within the range of 10{sup 0} to 10{sup 2} m{sup 2}/d, with 65% of the calculated estimate values occurring between 10{sup 1} to 10{sup 2} m{sup 2}d. These summary findings are consistent with the general range of values previously reported for basalt interflow contact zones and sedimentary interbeds within the Saddle Mountains Basalt.

  13. DFT reactivity indices in confined many-electron atoms

    Indian Academy of Sciences (India)

    , global hardness and softness are reported for a representative set of spherically confined atoms of IA, IIA, VA and VIIIA series in the periodic table. The atomic electrons are confined within the impenetrable spherical cavity defined by a given ...

  14. Shearing Nanometer-Thick Confined Hydrocarbon Films: Friction and Adhesion

    DEFF Research Database (Denmark)

    Sivebæk, I. M.; Persson, B. N. J.

    2016-01-01

    We present molecular dynamics (MD) friction and adhesion calculations for nanometer-thick confined hydrocarbon films with molecular lengths 20, 100 and 1400 carbon atoms. We study the dependency of the frictional shear stress on the confining pressure and sliding speed. We present results...

  15. Investigation of stress–strain models for confined high strength ...

    Indian Academy of Sciences (India)

    The ascending branch of stress–strain curves depended on the ratio of confinement reinforcement was similar to the modified Kent–Park model and the descending branch similar to the Nagashima model. Keywords. High strength concrete; confined concrete; stress–strain models; ductility toughness. 1. Introduction.

  16. Confinement, average forces, and the Ehrenfest theorem for a one ...

    Indian Academy of Sciences (India)

    The topics of confinement, average forces, and the Ehrenfest theorem are examined for a particle in one spatial dimension. Two specific cases are considered: A free particle moving on the entire real line, which is then permanently confined to a line segment or `a box' (this situation is achieved by taking the limit V 0 → ∞ in ...

  17. Dynamical properties of nimodipine molecules confined in SBA-15 matrix

    Science.gov (United States)

    Kiwilsza, A.; Pajzderska, A.; Mielcarek, J.; Jenczyk, J.; Wąsicki, J.

    2016-08-01

    The paper reports results of 13C and 1H ssNMR for nimodipine confined in mesopores of SBA-15 for the samples (i) containing nimodipine molecules inside and on the external surface of silica, (ii) containing nimodipine only inside pores forming an incomplete monolayer on the surface (iii) for bulk nimodipine. The measurements permitted comparison of the dynamics of nimodipine bulk and confined in pores. The confined nimodipine is in an amorphous state and has additional degrees of rotational freedom with respect to the bulk one. The height of the energy barrier related to the rotation of methyl groups in confined nimodipine is lower than in bulk nimodipine. The higher mobility of nimodipine molecules confined in silica pores can explain the higher release rate of nimodipine from silica matrix than dissolution rate of bulk drug.

  18. Confined space entry program for the Westinghouse Hanford Company

    Energy Technology Data Exchange (ETDEWEB)

    Cornell, T.M.

    1993-11-01

    To comply with anticipated OSHA regulatory requirements concerning Permit-Required Confined Spaces, Westinghouse Hanford Company (WHC) created a Confined Spaces Task Team. The primary focus of the task team was to prepare a formal Confined Space Entry (CSE) Program that would ensure full compliance with the anticipated OSHA requirements. A comprehensive training plan was also prepared and submitted for approval as soon as the new CSE Program was approved and released for implementation. On January 14, 1993, OSHA released their final ruling which contained several further changes, requiring the WHC Confined Space Entry Program and Training Plan to be revised. The revised training manual and lessons learned in establishing a Confined Space Entry Program are presented.

  19. Diffusion of Finite-Size Particles in Confined Geometries

    KAUST Repository

    Bruna, Maria

    2013-05-10

    The diffusion of finite-size hard-core interacting particles in two- or three-dimensional confined domains is considered in the limit that the confinement dimensions become comparable to the particle\\'s dimensions. The result is a nonlinear diffusion equation for the one-particle probability density function, with an overall collective diffusion that depends on both the excluded-volume and the narrow confinement. By including both these effects, the equation is able to interpolate between severe confinement (for example, single-file diffusion) and unconfined diffusion. Numerical solutions of both the effective nonlinear diffusion equation and the stochastic particle system are presented and compared. As an application, the case of diffusion under a ratchet potential is considered, and the change in transport properties due to excluded-volume and confinement effects is examined. © 2013 Society for Mathematical Biology.

  20. Cockroaches traverse crevices, crawl rapidly in confined spaces, and inspire a soft, legged robot.

    Science.gov (United States)

    Jayaram, Kaushik; Full, Robert J

    2016-02-23

    Jointed exoskeletons permit rapid appendage-driven locomotion but retain the soft-bodied, shape-changing ability to explore confined environments. We challenged cockroaches with horizontal crevices smaller than a quarter of their standing body height. Cockroaches rapidly traversed crevices in 300-800 ms by compressing their body 40-60%. High-speed videography revealed crevice negotiation to be a complex, discontinuous maneuver. After traversing horizontal crevices to enter a vertically confined space, cockroaches crawled at velocities approaching 60 cm⋅s(-1), despite body compression and postural changes. Running velocity, stride length, and stride period only decreased at the smallest crevice height (4 mm), whereas slipping and the probability of zigzag paths increased. To explain confined-space running performance limits, we altered ceiling and ground friction. Increased ceiling friction decreased velocity by decreasing stride length and increasing slipping. Increased ground friction resulted in velocity and stride length attaining a maximum at intermediate friction levels. These data support a model of an unexplored mode of locomotion--"body-friction legged crawling" with body drag, friction-dominated leg thrust, but no media flow as in air, water, or sand. To define the limits of body compression in confined spaces, we conducted dynamic compressive cycle tests on living animals. Exoskeletal strength allowed cockroaches to withstand forces 300 times body weight when traversing the smallest crevices and up to nearly 900 times body weight without injury. Cockroach exoskeletons provided biological inspiration for the manufacture of an origami-style, soft, legged robot that can locomote rapidly in both open and confined spaces.

  1. Cockroaches traverse crevices, crawl rapidly in confined spaces, and inspire a soft, legged robot

    Science.gov (United States)

    Jayaram, Kaushik; Full, Robert J.

    2016-01-01

    Jointed exoskeletons permit rapid appendage-driven locomotion but retain the soft-bodied, shape-changing ability to explore confined environments. We challenged cockroaches with horizontal crevices smaller than a quarter of their standing body height. Cockroaches rapidly traversed crevices in 300–800 ms by compressing their body 40–60%. High-speed videography revealed crevice negotiation to be a complex, discontinuous maneuver. After traversing horizontal crevices to enter a vertically confined space, cockroaches crawled at velocities approaching 60 cm⋅s−1, despite body compression and postural changes. Running velocity, stride length, and stride period only decreased at the smallest crevice height (4 mm), whereas slipping and the probability of zigzag paths increased. To explain confined-space running performance limits, we altered ceiling and ground friction. Increased ceiling friction decreased velocity by decreasing stride length and increasing slipping. Increased ground friction resulted in velocity and stride length attaining a maximum at intermediate friction levels. These data support a model of an unexplored mode of locomotion—“body-friction legged crawling” with body drag, friction-dominated leg thrust, but no media flow as in air, water, or sand. To define the limits of body compression in confined spaces, we conducted dynamic compressive cycle tests on living animals. Exoskeletal strength allowed cockroaches to withstand forces 300 times body weight when traversing the smallest crevices and up to nearly 900 times body weight without injury. Cockroach exoskeletons provided biological inspiration for the manufacture of an origami-style, soft, legged robot that can locomote rapidly in both open and confined spaces. PMID:26858443

  2. Diagnostics for magnetic confinement fusion research

    Science.gov (United States)

    Weller, Arthur

    2010-11-01

    Significant progress towards the development of an attractive fusion energy source based on magnetic or inertial plasma confinement has been achieved within the international fusion energy program. High-level diagnostics capabilities are required to characterize fusion plasmas and to achieve a sound physics basis to design a fusion power plant. A large variety of different measuring techniques is used, most of them based on the detection of electromagnetic radiation in a wide range of wavelengths or of particles emitted from the plasma. Active probing by laser and particle beams permits to measure local plasma parameters directly, whereas passive measurements and imaging methods require unfolding and tomographic reconstruction techniques in order to obtain the spatial source distribution. Most diagnostics systems are limited in the accessible parameter range, in accuracy, temporal and spatial resolution, energy resolution and hardiness in a harsh environment, so that redundancy and complementarity of different methods is desirable. A considerable synergy exists between plasma diagnostics for fusion and astrophysics research. In particular, novel imaging detectors developed for the observation of astrophysical objects may be applied to fusion devices, too. An overview of diagnostics requirements, measuring techniques and selected results are presented with an emphasis of imaging diagnostics in toroidal magnetic fusion devices.

  3. Confinement Studies in High Temperature Spheromak Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Hill, D N; Mclean, H S; Wood, R D; Casper, T A; Cohen, B I; Hooper, E B; LoDestro, L L; Pearlstein, L D; Romero-Talamas, C

    2006-10-23

    Recent results from the SSPX spheromak experiment demonstrate the potential for obtaining good energy confinement (Te > 350eV and radial electron thermal diffusivity comparable to tokamak L-mode values) in a completely self-organized toroidal plasma. A strong decrease in thermal conductivity with temperature is observed and at the highest temperatures, transport is well below that expected from the Rechester-Rosenbluth model. Addition of a new capacitor bank has produced 60% higher magnetic fields and almost tripled the pulse length to 11ms. For plasmas with T{sub e} > 300eV, it becomes feasible to use modest (1.8MW) neutral beam injection (NBI) heating to significantly change the power balance in the core plasma, making it an effective tool for improving transport analysis. We are now developing detailed designs for adding NBI to SSPX and have developed a new module for the CORSICA transport code to compute the correct fast-ion orbits in SSPX so that we can simulate the effect of adding NBI; initial results predict that such heating can raise the electron temperature and total plasma pressure in the core by a factor of two.

  4. Human Adaptation to Isolated and Confined Environments

    Science.gov (United States)

    Evans, Gary W.; Stokols, Daniel; Carrere, Sybil

    1987-01-01

    A study was conducted over seven months in a winter Antarctic isolated and confined environment (ICE). Physiological and psychological data was collected several times a week. Information was collected on a monthly basis on behavior and the use of physical facilities. Adaptation and information indicated that there was a significant decrease in epinephrine and norepinephrine during the middle trimester of the winter. No vital changes were found for blood pressure. Self reports of hostility and anxiety show a linear increase. There were no significant changes in depression during ICE. The physiological and psychological data do not move in a synchronous fashion over time. The data also suggest that both ambient qualities of an ICE and discrete social environmental events, such as the arrival of the summer crew, have an impact on the outcome measures used. It may be most appropiate to develop a model for ICE's that incorporates not only global chronic stressors common to all ICE's but also the role of discrete environmental effects which can minimize or enhance the influence of more chronic stressors. Behavioral adjustment information highlight the importance of developing schedules which balance work and recreational activities.

  5. Optical properties of matrix confined species

    Science.gov (United States)

    Lezhnina, M. M.; Kynast, U. H.

    2010-11-01

    A majority of optically functional materials can be perceived as a liaison between ionic or molecular guests and a more or less rigid host. The guests exhibit an optical function, whereas the host provides suitable space, both of them synergistically complementing each other. The embracement of guests and hosts is often very intimate, as e.g. in typical phosphors, where luminescent ions even become part of the host. While the host-guest terminology usually is not applied to such marriages, the term becomes appropriate, if the host grants some degrees of spatial freedom, yet giving order and structure to its guests. Zeolites, clays and inverse opals are porous materials naturally providing hospitable cavities, channels or other compartments, and at the same time the guests are often demanded to occupy preassigned positions within these, or to structurally adapt to the interior host topology. Whereas zeolites and clays are merely patient providers of guest space, inverse opals, can actively turn the light on and off. The present article summarises and highlights recent experimental evidence, ongoing research and some envisaged merits resulting from the interaction of matrix confined luminescent ions, complexes and molecules with a focus on the optical properties of rare earth based materials.

  6. Thermalization in a holographic confining gauge theory

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, Takaaki [Crete Center for Theoretical Physics, Department of Physics, University of Crete,71003 Heraklion (Greece); Kiritsis, Elias [Crete Center for Theoretical Physics, Department of Physics, University of Crete,71003 Heraklion (Greece); APC, University Paris Diderot, Sorbonne Paris Cité, UMR 7164 CNRS,10, rue Alice Domon et Léonie Duquet, 75205 Paris Cedex 13 (France); Rosen, Christopher [Crete Center for Theoretical Physics, Department of Physics, University of Crete,71003 Heraklion (Greece)

    2015-08-03

    Time dependent perturbations of states in the holographic dual of a 3+1 dimensional confining theory are considered. The perturbations are induced by varying the coupling to the theory’s most relevant operator. The dual gravitational theory belongs to a class of Einstein-dilaton theories which exhibit a mass gap at zero temperature and a first order deconfining phase transition at finite temperature. The perturbation is realized in various thermal bulk solutions by specifying time dependent boundary conditions on the scalar, and we solve the fully backreacted Einstein-dilaton equations of motion subject to these boundary conditions. We compute the characteristic time scale of many thermalization processes, noting that in every case we examine, this time scale is determined by the imaginary part of the lowest lying quasi-normal mode of the final state black brane. We quantify the dependence of this final state on parameters of the quench, and construct a dynamical phase diagram. Further support for a universal scaling regime in the abrupt quench limit is provided.

  7. Fuzzy Dark Matter from Infrared Confining Dynamics

    Science.gov (United States)

    Davoudiasl, Hooman; Murphy, Christopher W.

    2017-04-01

    A very light boson of mass O (10-22) eV may potentially be a viable dark matter (DM) candidate, which can avoid phenomenological problems associated with cold DM. Such "fuzzy DM (FDM)" may naturally be an axion with a decay constant fa˜1 016- 1 018 GeV and a mass ma˜μ2/fa with μ ˜1 02 eV . Here, we propose a concrete model, where μ arises as a dynamical scale from infrared confining dynamics, analogous to QCD. Our model is an alternative to the usual approach of generating μ through string theoretic instanton effects. We outline the features of this scenario that result from various cosmological constraints. We find that those constraints are suggestive of a period of mild of inflation, perhaps from a strong first order phase transition, that reheats the standard model (SM) sector only. A typical prediction of our scenario, broadly speaking, is a larger effective number of neutrinos compared to the SM value Neff≈3 , as inferred from precision measurements of the cosmic microwave background. Some of the new degrees of freedom may be identified as "sterile neutrinos," which may be required to explain certain neutrino oscillation anomalies. Hence, aspects of our scenario could be testable in terrestrial experiments, which is a novelty of our FDM model.

  8. Confined nanoparticle measurement using Bessel Beam Microscopy

    Science.gov (United States)

    Chakraborty, Chumki; Snoeyink, Craig

    2015-11-01

    With the advent of Lab-on-chip technologies, study of near surface phenomenon has gained a lot of importance due to their huge impact on bulk fluid properties. Such studies demand imaging techniques with utmost precision to capture the intricate details of the interface. But, resolution for most of the optical imaging systems is limited due to the light spreading effects of diffraction. This diffraction limited resolution, can be improved by the use of Bessel Beam microscopy. Bessel beam imaging technique when combined with a TIRF (Total Internal Reflection Fluorescence) system can be used for high resolution particle tracking experiments, to reveal detailed information about near surface particle positions and motions with their velocity profile and distribution. With the experimental set up combining these two powerful tools, we plan to present our particle tracking velocimetry results in the interface regime of confined nanoparticles in a binary fluid mixture. Such a study can contribute towards a better understanding of near surface fluid-particle interfaces.

  9. Electrostatically confined trilayer graphene quantum dots

    Science.gov (United States)

    Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F. M.

    2017-04-01

    Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry EKe(m ) =-EK'h(m ) for the electron (e ) and hole (h ) states, where m is the angular momentum quantum number and K and K ' label the two valleys. The electron and hole spectra for B =0 are twofold degenerate due to the intervalley symmetry EK(m ) =EK'[-(m +1 ) ] . For both ABC [α =1.5 (1.2) for large (small) R ] and ABA (α =1 ) stackings, the lowest-energy levels show approximately a R-α dependence on the dot radius R in contrast with the 1 /R3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B , the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings.

  10. Geochemical changes and fracture development in Woodford Shale cores following hydrous pyrolysis under uniaxial confinement

    Science.gov (United States)

    Birdwell, Justin E.; Lewan, Michael D.; Miller, Michael; Baez, Luis; Beeney, Ken; Sonnenberg, Steve

    2013-01-01

    A uniaxial confinement clamp was used on Woodford Shale cores in hydrous pyrolysis experiments to study fracture development during thermal maturation. The clamp simulates overburden in that it prevents cores from expanding perpendicular to bedding fabric during the volume-increasing reactions associated with petroleum generation. Cores were cut from a slab of immature Woodford Shale and subjected to hydrous pyrolysis under confinement at 300, 330, and 365 °C for 72 hours to induce thermal maturities ranging from early bitumen to maximum expelled-oil generation. Two additional cores were used as experimental controls: (1) a confined core was saturated with water by heating it to 100 °C under hydrous pyrolysis conditions for 72 hours to use for characterization of the original rock, and (2) an unconfined core was heated at 365 °C for 72 hours to evaluate the effects of confinement on petroleum generation and expulsion. X-ray computed tomography (X-CT) imaging and other analyses identified five distinct beds within the cored interval. Using a tentative classification system, beds 1, 2, and 3 are described as dolomitic marlstone (DM) with total organic carbon (TOC) contents of 7.7, 5.8, and 7.7 wt. %, respectively; bed 4 is a cherty quartzose claystone (CQC) with TOC content of 5.5 wt. %; and bed 5 is a quartzose claystone with TOC content of 10.9 wt. %. Bed samples all had similar Rock-Eval hydrogen indices (600 ± 46 mg S2/g-TOC) and Tmax values (433 ± 2 °C), demonstrating organic matter uniformity and low thermal maturity. The X-CT scan of the core heated to 100 °C showed preexisting fractures that were nearly perpendicular to the bedding fabric primarily in the low-TOC DM bed 2 and CQC bed 4. Heating led to enhancement of preexisting fractures in the confined cores with the greatest enhancement occurring in CQC bed 4. The fractures increased in size and intensity with temperature. This is attributed to the internal pressure generated by volume

  11. Interphase vs confinement in starch-clay bionanocomposites.

    Science.gov (United States)

    Coativy, Gildas; Chevigny, Chloé; Rolland-Sabaté, Agnès; Leroy, Eric; Lourdin, Denis

    2015-03-06

    Starch-clay bionanocomposites containing 1-10% of natural montmorillonite were elaborated by melt processing in the presence of water. A complex macromolecular dynamics behavior was observed: depending on the clay content, an increase of the glass transition temperature and/or the presence of two overlapped α relaxation peaks were detected. Thanks to a model allowing the prediction of the average interparticle distance, and its comparison with the average size of starch macromolecules, it was possible to associate these phenomena to different populations of macromolecules. In particular, it seems that for high clay content (10%), the slowdown of segmental relaxation due to confinement of the starch macromolecules between the clay tactoïds is the predominant phenomenon. While for lower clay contents (3-5%), a significant modification of chain relaxation seems to occur, due to the formation of an interphase by the starch macromolecules in the vicinity of clay nanoparticles coexisting with the bulk polymer. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. Communication: A combined periodic density functional and incremental wave-function-based approach for the dispersion-accounting time-resolved dynamics of {sup 4}He nanodroplets on surfaces: {sup 4}He/graphene

    Energy Technology Data Exchange (ETDEWEB)

    Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es [Instituto de Física Fundamental (C.S.I.C.), Serrano 123, E-28006 Madrid (Spain); Stoll, Hermann [Institut für Theoretische Chemie, Universität Stuttgart, D-70550 Stuttgart (Germany); Civalleri, Bartolomeo [Dipartimento di Chimica e Centro Interdipartimentale NIS, Universitá di Torino, Via P. Giuria 7, 10125 Torino (Italy); Causà, Mauro [Dipartimento di Ingegneria Chimica, dei Materiali e delle Produzioni Industriali, Universiá di Napoli Federico II, Piazzale Tecchio, 80126 Napoli (Italy); Voloshina, Elena [Humboldt-Universität zu Berlin, Institut für Chemie, Brook-Taylor-Str. 2, 12489 Berlin (Germany); Mitrushchenkov, Alexander O. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Pi, Martí [Department ECM, Facultat de Física, and IN" 2UB, Universitat de Barcelona, Diagonal 645, E-08028 Barcelona (Spain)

    2014-10-21

    In this work we propose a general strategy to calculate accurate He–surface interaction potentials. It extends the dispersionless density functional approach recently developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] to adsorbate-surface interactions by including periodic boundary conditions. We also introduce a scheme to parametrize the dispersion interaction by calculating two- and three-body dispersion terms at coupled cluster singles and doubles and perturbative triples (CCSD(T)) level via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. The performance of the composite approach is tested on {sup 4}He/graphene by determining the energies of the low-lying selective adsorption states, finding an excellent agreement with the best available theoretical data. Second, the capability of the approach to describe dispersionless correlation effects realistically is used to extract dispersion effects in time-dependent density functional simulations on the collision of {sup 4}He droplets with a single graphene sheet. It is found that dispersion effects play a key role in the fast spreading of the {sup 4}He nanodroplet, the evaporation-like process of helium atoms, and the formation of solid-like helium structures. These characteristics are expected to be quite general and highly relevant to explain experimental measurements with the newly developed helium droplet mediated deposition technique.

  13. Effects of Salinity and Confining Pressure on Hydration-Induced Fracture Propagation and Permeability of Mancos Shale

    Science.gov (United States)

    Zhang, Shifeng; Sheng, James J.

    2017-11-01

    Low-salinity water imbibition was considered an enhanced recovery method in shale oil/gas reservoirs due to the resulting hydration-induced fractures, as observed at ambient conditions. To study the effect of confining pressure and salinity on hydration-induced fractures, time-elapsed computerized tomography (CT) was used to obtain cross-sectional images of shale cores. Based on the CT data of these cross-sectional images, cut faces parallel to the core axial in the middle of the core and 3D fracture images were also reconstructed. To study the effects of confining pressure and salinity on shale pore fluid flowing, shale permeability was measured with Nitrogen (N2), distilled water, 4% KCl solution, and 8% KCl solution. With confining pressures increased to 2 MPa or more, either in distilled water or in KCl solutions of different salinities, fractures were observed to close instead to propagate at the end of the tests. The intrinsic permeabilities of #1 and #2 Mancos shale cores were 60.0 and 7000 nD, respectively. When tested with distilled water, the permeability of #1 shale sample with 20.0 MPa confining pressure loaded, and #2 shale sample with 2.5 MPa confining pressure loaded, decreased to 0.45 and 15 nD, respectively. Using KCl can partly mitigate shale permeability degradation. Compared to 4% KCl, 8% KCl can decrease more permeability damage. From this point of view, high salinity KCl solution should be required for the water-based fracturing fluid.

  14. Single Pt Atoms Confined into a Metal-Organic Framework for Efficient Photocatalysis.

    Science.gov (United States)

    Fang, Xinzuo; Shang, Qichao; Wang, Yu; Jiao, Long; Yao, Tao; Li, Yafei; Zhang, Qun; Luo, Yi; Jiang, Hai-Long

    2018-02-01

    It is highly desirable yet remains challenging to improve the dispersion and usage of noble metal cocatalysts, beneficial to charge transfer in photocatalysis. Herein, for the first time, single Pt atoms are successfully confined into a metal-organic framework (MOF), in which electrons transfer from the MOF photosensitizer to the Pt acceptor for hydrogen production by water splitting under visible-light irradiation. Remarkably, the single Pt atoms exhibit a superb activity, giving a turnover frequency of 35 h -1 , ≈30 times that of Pt nanoparticles stabilized by the same MOF. Ultrafast transient absorption spectroscopy further unveils that the single Pt atoms confined into the MOF provide highly efficient electron transfer channels and density functional theory calculations indicate that the introduction of single Pt atoms into the MOF improves the hydrogen binding energy, thus greatly boosting the photocatalytic H 2 production activity. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Fault gouge rheology under confined, high-velocity conditions

    Science.gov (United States)

    Reches, Z.; Madden, A. S.; Chen, X.

    2012-12-01

    We recently developed the experimental capability to investigate the shear properties of fine-grain gouge under confined conditions and high-velocity. The experimental system includes a rotary apparatus that can apply large displacements of tens of meters, slip velocity of 0.001- 2.0 m/s, and normal stress of 35 MPa (Reches and Lockner, 2010). The key new component is a Confined ROtary Cell (CROC) that can shear a gouge layer either dry or under pore-pressure. The pore pressure is controlled by two syringe pumps. CROC includes a ring-shape gouge chamber of 62.5 mm inner diameter, 81.25 mm outer diameter, and up to 3 mm thick gouge sample. The lower, rotating part of CROC contains the sample chamber, and the upper, stationary part includes the loading, hollow cylinder and setting for temperature, and dilation measurements, and pore-pressure control. Each side of the gouge chamber has two pairs of industrial, spring-energized, self-lubricating, teflon-graphite seals, built for particle media and can work at temperature up to 250 ded C. The space between each of the two sets of seals is pressurized by nitrogen. This design generates 'zero-differential pressure' on the inner seal (which is in contact with the gouge powder), and prevents gouge leaks. For the preliminary dry experiments, we used ~2.0 mm thick layers of room-dry kaolinite powder. Total displacements were on the order of meters and normal stress up to 4 MPa. The initial shear was accommodated by multiple internal slip surfaces within the kaolinite layer accommodated as oriented Riedel shear structures. Later, the shear was localized within a thin, plate-parallel Y-surface. The kaolinite layer was compacted at a quasi-asymptotic rate, and displayed a steady-state friction coefficient of ~ 0.5 with no clear dependence on slip velocity up to 0.15 m/s. Further experiments with loose quartz sand (grain size ~ 125 micron) included both dry runs and pore-pressure (distilled water) controlled runs. The sand was

  16. Acoustic Focusing and Energy Confinement Based on Multilateral Metasurfaces

    Science.gov (United States)

    Qi, Shuibao; Li, Yong; Assouar, Badreddine

    2017-05-01

    Metamaterial-based acoustic wave manipulation shows great potential in effective acoustic energy confinement and low-frequency acoustic isolation. We numerically and theoretically propose here a concept based on multilateral metasurfaces for reflected acoustic focusing and energy confinement. The theoretical phase-shift profile required for reflected wave focusing and governed by the generalized Snell's law can be discretely realized by appropriately arraying the labyrinthine units in the right sequences. Based on this design, multilateral metasurfaces for acoustic wave focusing and energy confinement under point-source incidence are considered and sufficiently investigated. The coupling effects and multiple reflections between or among metasurfaces, which play a significant role in the energy confinement, are initially analyzed and discussed. We show that the acoustic focusing and confinement increase with the sides of the multilateral metasurfaces as anticipated. In addition to the contribution of the first reflection, multiple reflections also contribute to the acoustic focusing and energy confinement, especially when the metasurfaces are configured in parallel. The proposed multilateral metasurfaces should have excellent performance in acoustic energy confinement in various situations due to the variable designs and strong acoustic focusing capabilities.

  17. Engineered barriers for radioactive waste confinement

    Directory of Open Access Journals (Sweden)

    Fernández, R.

    2011-09-01

    Full Text Available Nuclear power plants generate long-lived radioactive waste of high toxicity. The security assessment of repositories destined to definitive confinement of radioactive waste has been studied for several decades. Deep geological repositories are technically feasible and begin to be built by some pioneer countries. The scientific evaluation of interactions between the different engineered barriers is studied by laboratory experiments, natural analogues and modeling studies. The three methods are able to represent and validate the main geochemical processes that take place in the near field. This paper reviews the scientific and technical basis of the concept of geological disposal, with particular focus on the methods of study applied to the evaluation of geochemical stability of the bentonite barrier.

    Las centrales nucleares generan residuos radiactivos de elevada peligrosidad y permanencia en el tiempo. La evaluación de la seguridad de repositorios destinados al alojamiento definitivo de estos residuos lleva estudiándose desde hace varias décadas. El almacenamiento geológico es técnicamente factible y empieza ya a desarrollarse en países pioneros. La evaluación científica de las interacciones entre las distintas barreras de ingeniería se estudia mediante ensayos de laboratorio, análisis de análogos naturales y modelos teóricos. Las tres vías de estudio son capaces de representar y validar los principales procesos geoquímicos que tienen lugar en el campo cercano al repositorio. Este artículo revisa los fundamentos científicos y técnicos del concepto de almacenamiento geológico detallando, en particular, los métodos de estudio aplicados a la evaluación de la estabilidad geoquímica de la barrera de bentonita.

  18. Definition of Ignition in Inertial Confinement Fusion

    Science.gov (United States)

    Christopherson, A. R.; Betti, R.

    2017-10-01

    Defining ignition in inertial confinement fusion (ICF) is an unresolved problem. In ICF, a distinction must be made between the ignition of the hot spot and the propagation of the burn wave in the surrounding dense fuel. Burn propagation requires that the hot spot is robustly ignited and the dense shell exhibits enough areal density. Since most of the energy gain comes from burning the dense shell, in a scale of increasing yields, hot-spot ignition comes before high gains. Identifying this transition from hot-spot ignition to burn-wave propagation is key to defining ignition in general terms applicable to all fusion approaches that use solid DT fuel. Ad hoc definitions such as gain = 1 or doubling the temperature are not generally valid. In this work, we show that it is possible to identify the onset of ignition through a unique value of the yield amplification defined as the ratio of the fusion yield including alpha-particle deposition to the fusion yield without alphas. Since the yield amplification is a function of the fractional alpha energy fα =EαEα 2Ehs 2Ehs (a measurable quantity), it appears possible not only to define ignition but also to measure the onset of ignition by the experimental inference of the fractional alpha energy and yield amplification. This material is based upon work supported by the Department of Energy Office of Fusion Energy Services under Award Number DE-FC02-04ER54789 and National Nuclear Security Administration under Award Number DE-NA0001944.

  19. Superfluid phases of $^3$He in a periodic confined geometry

    OpenAIRE

    Wiman, J. J.; Sauls, J. A.

    2013-01-01

    Predictions and discoveries of new phases of superfluid $^3$He in confined geometries, as well as novel topological excitations confined to surfaces and edges of near a bounding surface of $^3$He, are driving the fields of superfluid $^3$He infused into porous media, as well as the fabrication of sub-micron to nano-scale devices for controlled studies of quantum fluids. In this report we consider superfluid $^3$He confined in a periodic geometry, specifically a two-dimensional lattice of squa...

  20. Scale testing of a partially confined blast chamber

    CSIR Research Space (South Africa)

    Grundling, W

    2012-10-01

    Full Text Available at the peak pressure readings from the confined and unconfined graphs, it is clear that in both cases the pressure has increased by partially confining the open side by 65%. Face-on pressure increased from 1 MPa up to 1.7 Mpa, while side-on pressure... readings increased from 0.8 MPa to 0.95 MPa in the confined state. It is recommended that more tests are done within the scaled blast chamber to retrieve repeatability in measurement results. Up-scaling of the pendulum to cover the full-size blast...

  1. Hard-wall confinement of a fractional quantum Hall liquid

    Science.gov (United States)

    Macaluso, E.; Carusotto, I.

    2017-10-01

    We make use of numerical exact diagonalization calculations to explore the physics of ν =1 /2 bosonic fractional quantum Hall droplets in the presence of experimentally realistic cylindrically symmetric hard-wall potentials. This kind of confinement is found to produce very different many-body spectra compared to a harmonic trap or the so-called extremely steep limit. For a relatively weak confinement, the degeneracies are lifted and the low-lying excited states organize themselves in energy branches that can be explained in terms of their Jack polynomial representation. For a strong confinement, a strong spatial deformation of the droplet is found, with an unexpected depletion of its central density.

  2. Pneumatic fractures in confined granular media

    Science.gov (United States)

    Eriksen, Fredrik K.; Toussaint, Renaud; Turquet, Antoine L.; Mâløy, Knut J.; Flekkøy, Eirik G.

    2017-06-01

    We perform experiments where air is injected at a constant overpressure Pin, ranging from 5 to 250 kPa, into a dry granular medium confined within a horizontal linear Hele-Shaw cell. The setup allows us to explore compacted configurations by preventing decompaction at the outer boundary, i.e., the cell outlet has a semipermeable filter such that beads are stopped while air can pass. We study the emerging patterns and dynamic growth of channels in the granular media due to fluid flow, by analyzing images captured with a high speed camera (1000 images/s). We identify four qualitatively different flow regimes, depending on the imposed overpressure, ranging from no channel formation for Pin below 10 kPa, to large thick channels formed by erosion and fingers merging for high Pin around 200 kPa. The flow regimes where channels form are characterized by typical finger thickness, final depth into the medium, and growth dynamics. The shape of the finger tips during growth is studied by looking at the finger width w as function of distance d from the tip. The tip profile is found to follow w (d ) ∝dβ , where β =0.68 is a typical value for all experiments, also over time. This indicates a singularity in the curvature d2d /d w2˜κ ˜d1 -2 β , but not of the slope d w /d d ˜dβ -1 , i.e., more rounded tips rather than pointy cusps, as they would be for the case β >1 . For increasing Pin, the channels generally grow faster and deeper into the medium. We show that the channel length along the flow direction has a linear growth with time initially, followed by a power-law decay of growth velocity with time as the channel approaches its final length. A closer look reveals that the initial growth velocity v0 is found to scale with injection pressure as v0∝Pin3/2 , while at a critical time tc there is a cross-over to the behavior v (t ) ∝t-α , where α is close to 2.5 for all experiments. Finally, we explore the fractal dimension of the fully developed patterns. For

  3. Sustained Operations in Confined-Space Military Vehicles

    National Research Council Canada - National Science Library

    Delleman, Nico J; Colaciuri, Véronique; Wiederkehr, Emeric; Valk, Pierre J.L

    2008-01-01

    This paper reports 2 baseline studies and 1 experiment performed in a confined-space military vehicle concerning the effects on fitness and performance of time in a sitting posture and workstation characteristics...

  4. Confined compressive strength model of rock for drilling optimization

    Directory of Open Access Journals (Sweden)

    Xiangchao Shi

    2015-03-01

    Full Text Available The confined compressive strength (CCS plays a vital role in drilling optimization. On the basis of Jizba's experimental results, a new CCS model considering the effects of the porosity and nonlinear characteristics with increasing confining pressure has been developed. Because the confining pressure plays a fundamental role in determining the CCS of bottom-hole rock and because the theory of Terzaghi's effective stress principle is founded upon soil mechanics, which is not suitable for calculating the confining pressure in rock mechanics, the double effective stress theory, which treats the porosity as a weighting factor of the formation pore pressure, is adopted in this study. The new CCS model combined with the mechanical specific energy equation is employed to optimize the drilling parameters in two practical wells located in Sichuan basin, China, and the calculated results show that they can be used to identify the inefficient drilling situations of underbalanced drilling (UBD and overbalanced drilling (OBD.

  5. Confinement of hydrogen at high pressure in carbon nanotubes

    Science.gov (United States)

    Lassila, David H [Aptos, CA; Bonner, Brian P [Livermore, CA

    2011-12-13

    A high pressure hydrogen confinement apparatus according to one embodiment includes carbon nanotubes capped at one or both ends thereof with a hydrogen-permeable membrane to enable the high pressure confinement of hydrogen and release of the hydrogen therethrough. A hydrogen confinement apparatus according to another embodiment includes an array of multi-walled carbon nanotubes each having first and second ends, the second ends being capped with palladium (Pd) to enable the high pressure confinement of hydrogen and release of the hydrogen therethrough as a function of palladium temperature, wherein the array of carbon nanotubes is capable of storing hydrogen gas at a pressure of at least 1 GPa for greater than 24 hours. Additional apparatuses and methods are also presented.

  6. Confined-but-Connected Quantum Solids via Controlled Ligand Displacement

    KAUST Repository

    Baumgardner, William J.

    2013-07-10

    Confined-but-connected quantum dot solids (QDS) combine the advantages of tunable, quantum-confined energy levels with efficient charge transport through enhanced electronic interdot coupling. We report the fabrication of QDS by treating self-assembled films of colloidal PbSe quantum dots with polar nonsolvents. Treatment with dimethylformamide balances the rates of self-assembly and ligand displacement to yield confined-but-connected QDS structures with cubic ordering and quasi-epitaxial interdot connections through facets of neighboring dots. The QDS structure was analyzed by a combination of transmission electron microscopy and wide-angle and small-angle X-ray scattering. Excitonic absorption signatures in optical spectroscopy confirm that quantum confinement is preserved. Transport measurements show significantly enhanced conductivity in treated films. © 2013 American Chemical Society.

  7. Miniature magnetic bottle confined by circularly polarized laser light

    Energy Technology Data Exchange (ETDEWEB)

    Kolka, E.; Eliezer, S.; Paiss, Y. [Israel Atomic Energy Commission, Yavne (Israel). Soreq Nuclear Research Center

    1995-09-01

    A new concept of hot plasma confinement in a miniature magnetic bottle induced by circularly polarized laser light is suggested. Magnetic fields generated by circularly polarized laser light may be of the order of megagauss. In this configuration the circularly polarized laser light is used to obtain confinement of a plasma contained in a good conductor vessel. The poloidal magnetic field induced by the circularly polarized laser and the efficiency of laser absorption by the plasma are calculated. The confinement in this scheme is supported by the magnetic forces. The Lawson criterion for a DT plasma might be achieved for number density n = 5``centre dot`` 10{sup 21} cm{sup -3} and confinement time {tau} = 20 ns. The laser and plasma parameters required to obtain an energetic gain are calculated. (Author).

  8. Bounce resonance diffusion coefficients for spatially confined waves

    National Research Council Canada - National Science Library

    Li, Xinxin; Tao, Xin; Lu, Quanmin; Dai, Lei

    2015-01-01

    ...; therefore, they are not directly applicable to waves that have a finite spatial extent. We theoretically derive and numerically validate a new set of bounce resonance diffusion coefficients for spatially confined waves...

  9. Jet-Contaminant Interaction in Confined Geometries

    Science.gov (United States)

    1985-02-01

    is approximated as p = p F + (1-F) p (6) C w where ,OC and ]Pw are the densities of the contaminant and water,respectively. Ii COMUTATIONAL ESTS The...Hurt, and R. Hotchkiss,"SOLA-VOF: A Solution Algorithm for Transient Fluid Flow with Multiple Free Boundaries," Los Alamos Scientific Laboratory

  10. Enhanced Plasma Confinement in a Magnetic Well by Whistler Waves

    DEFF Research Database (Denmark)

    Balmashnov, A. A.; Juul Rasmussen, Jens

    1981-01-01

    The propagation of whistler waves in a magnetic field of mirror configuration is investigated experimentally. The strong interaction between waves and particles at the electron-cyclotron resonance leads to enhanced confinement in the magnetic well.......The propagation of whistler waves in a magnetic field of mirror configuration is investigated experimentally. The strong interaction between waves and particles at the electron-cyclotron resonance leads to enhanced confinement in the magnetic well....

  11. Confinement less spectral behavior in hollow-core Bragg fibers

    DEFF Research Database (Denmark)

    Foroni, M.; Passaro, D.; Poli, F.

    2007-01-01

    The influence of each cross-section geometric parameter on hollow-core Bragg fiber guiding properties has been numerically investigated. Fabricated fibers have been modeled, giving insight into the spectral behavior of the confinement loss. It has been verified that, by changing the amount...... of silica and air in the fiber cladding, it is possible to change the reflection conditions undergone by the field within the core, thus shifting the confinement loss spectrum....

  12. Variational perturbation treatment of the confined hydrogen atom

    Energy Technology Data Exchange (ETDEWEB)

    Montgomery, H E Jr, E-mail: ed.montgomery@centre.edu [Chemistry Program, Centre College, 600 West Walnut Street, Danville, KY 40422-1394 (United States)

    2011-09-15

    The Schroedinger equation for the ground state of a hydrogen atom confined at the centre of an impenetrable cavity is treated using variational perturbation theory. Energies calculated from variational perturbation theory are comparable in accuracy to the results from a direct numerical solution. The goal of this exercise is to introduce the student to the effects of confinement on atomic systems using a tractable problem from which insight into variational perturbation theory may be gained.

  13. Understanding quantum confinement in nanowires: basics, applications and possible laws.

    Science.gov (United States)

    Mohammad, S Noor

    2014-10-22

    A comprehensive investigation of quantum confinement in nanowires has been carried out. Though applied to silicon nanowires (SiNWs), it is general and applicable to all nanowires. Fundamentals and applications of quantum confinement in nanowires and possible laws obeyed by these nanowires, have been investigated. These laws may serve as backbones of nanowire science and technology. The relationship between energy band gap and nanowire diameter has been studied. This relationship appears to be universal. A thorough review indicates that the first principles results for quantum confinement vary widely. The possible cause of this variation has been examined. Surface passivation and surface reconstruction of nanowires have been elucidated. It has been found that quantum confinement owes its origin to surface strain resulting from surface passivation and surface reconstruction and hence thin nanowires may actually be crystalline-core/amorphous-shell (c-Si/a-Si) nanowires. Experimental data available in the literature corroborate with the suggestion. The study also reveals an intrinsic relationship between quantum confinement and the surface amorphicity of nanowires. It demonstrates that surface amorphicity may be an important tool to investigate the electronic, optoelectronic and sensorial properties of quantum-confined nanowires.

  14. Confinement on Soft Materials: Systems Synthesis and Application

    KAUST Repository

    Almahdali, Sarah

    2017-10-01

    Isolating chemically-reactive sites into nanosized compartments is an important mode of control used by Nature to perform chemical transformations with extremely high yields and selectivity. Biological systems are fundamentally organized as bounded and isolated nano- and micro-sized environments featuring distinct localized properties, such as steric crowding, polarity, hydrophobicity, potential for molecular recognition, or pH. Through this compartmentalization, reaction substrates are sequestered away from interfering factors and competing substrates, or are physically prevented from forming alternative products or favoring specific pathways. Inspired by Nature, chemists have explored the rational design and application of various nanocompartments. This work explores three types of nanoconfinement systems capable of catalysis and specific transport: surfactant micelles, block-copolymer micelles, and hollow inorganic nanoparticles. The surfactant micelles are designed as part of a system of self-replicating micelles and are used to show how the chirality of the confinement system effects reaction kinetics. Simple click chemistry between a hydrophilic chiral head and a hydrophobic tail is used to produce an amphiphile under biphasic conditions. Once the product achieves critical micelle concentration, stable micelles can form. These micelles subsequently compartmentalize and pre-concentrate hydrophobic substrates, increasing the reaction rate and resulting in the self-propagation of the micellar structures and their chiralities. The next system explores block-copolymer micelles that are made up of a hydrophobic saturated fluorocarbon block and a hydrophilic block. The amphiphilic copolymers can form aggregates in water and, because of properties unique to the hydrophobic block, this system also increases oxygen solubility in water. Different fluorocarbon monomers are discussed and it was found that the structure of the fluorinated monomer, temperature, and p

  15. Confinement effects on lyotropic nematic liquid crystal phases of graphene oxide dispersions

    Science.gov (United States)

    Al-Zangana, Shakhawan; Iliut, Maria; Turner, Michael; Vijayaraghavan, Aravind; Dierking, Ingo

    2017-12-01

    Graphene oxide (GO) forms well ordered liquid crystal (LC) phases in polar solvents. Here, we map the lyotropic phase diagram of GO as a function of the lateral dimensions of the GO flakes, their concentration, geometrical confinement configuration and solvent polarity. GO flakes were prepared in water and transferred into other polar solvents. Polarising optical microscopy (POM) was used to determine the phase evolution through the isotropic-biphasic-nematic transitions of the GO LC. We report that the confinement volume and geometry relative to the particle size is critical for the observation of the lyotropic phase, specifically, this determines the low-end concentration limit for the detection of the GO LC. Additionally, a solvent with higher polarisability stabilises the LC phases at lower concentrations and smaller flake sizes. GO LCs have been proposed for a range of applications from display technologies to conductive fibres, and the behaviour of LC phase formation under confinement imposes a limit on miniaturisation of the dimensions of such GO LC systems which could significantly impact on their potential applications.

  16. Dynamic testing of concrete under high confined pressure. Influence of saturation ratio and aggregate size

    Directory of Open Access Journals (Sweden)

    Forquin P.

    2015-01-01

    Full Text Available Concrete structures can be exposed to intense pressure loadings such as projectile-impact or detonation near a concrete structural element. To investigate the mechanical behaviour of concrete under high confining pressure, dynamic quasi-oedometric compression tests have been performed with a large diameter (80 mm Split Hopkinson Pressure Bar apparatus. The concrete sample is placed within a steel confining ring and compressed along its axial direction. Hydrostatic pressures as high as 800 MPa and axial strain of about − 10% are reached during the tests. In the present work, experiments have been conducted on two types of concrete: MB50 microconcrete with a maximum grain size of 2 mm and R30A7 ordinary concrete of maximum grain size about 8 mm. Both concretes are tested in dry or saturated conditions. According to these dynamic experiments it is noted that grain size has a small influence whereas water content has a strong effect on the confined behaviour of concrete.

  17. 3D-CFD Simulation of Confined Cross-Flow Injection Process Using Single Piston Pump

    Directory of Open Access Journals (Sweden)

    M. Elashmawy

    2017-12-01

    Full Text Available Injection process into a confined cross flow is quite important for many applications including chemical engineering and water desalination technology. The aim of this study is to investigate the performance of the injection process into a confined cross-flow of a round pipe using a single piston injection pump. A computational fluid dynamics (CFD analysis has been carried out to investigate the effect of the locations of the maximum velocity and minimum pressure on the confined cross-flow process. The jet trajectory is analyzed and related to the injection pump shaft angle of rotation during the injection duty cycle by focusing on the maximum instant injection flow of the piston action. Results indicate a low effect of the jet trajectory within the range related to the injection pump operational conditions. Constant cross-flow was used and injection flow is altered to vary the jet to line flow ratio (QR. The maximum jet trajectory exhibits low penetration inside the cross-flow. The results showed three regions of the flow ratio effect zones with different behaviors. Results also showed that getting closer to the injection port causes a significant decrease on the locations of the maximum velocity and minimum pressure.

  18. Water Fibers

    CERN Document Server

    Douvidzon, Mark L; Martin, Leopoldo L; Carmon, Tal

    2016-01-01

    Fibers constitute the backbone of modern communication and are used in laser surgeries; fibers also genarate coherent X-ray, guided-sound and supercontinuum. In contrast, fibers for capillary oscillations, which are unique to liquids, were rarely considered in optofluidics. Here we fabricate fibers by water bridging an optical tapered-coupler to a microlensed coupler. Our water fibers are held in air and their length can be longer than a millimeter. These hybrid fibers co-confine two important oscillations in nature: capillary- and electromagnetic-. We optically record vibrations in the water fiber, including an audio-rate fundamental and its 3 overtones in a harmonic series, that one can hear in soundtracks attached. Transforming Micro-Electro-Mechanical-Systems [MEMS] to Micro-Electro-Capillary-Systems [MECS], boosts the device softness by a million to accordingly improve its response to minute forces. Furthermore, MECS are compatible with water, which is a most important liquid in our world.

  19. Explicit and implicit modeling of nanobubbles in hydrophobic confinement

    Directory of Open Access Journals (Sweden)

    Joachim Dzubiella

    2010-03-01

    Full Text Available Water at normal conditions is a fluid thermodynamically close to the liquid-vapor phase coexistence and features a large surface tension. This combination can lead to interesting capillary phenomena on microscopic scales. Explicit water molecular dynamics (MD computer simulations of hydrophobic solutes, for instance, give evidence of capillary evaporation on nanometer scales, i.e., the formation of nanometer-sized vapor bubbles (nanobubbles between confining hydrophobic surfaces. This phenomenon has been exemplified for solutes with varying complexity, e.g., paraffin plates, coarse-grained homopolymers, biological and solid-state channels, and atomistically resolved proteins. It has been argued that nanobubbles strongly impact interactions in nanofluidic devices, translocation processes, and even in protein stability, function, and folding. As large-scale MD simulations are computationally expensive, the efficient multiscale modeling of nanobubbles and the prediction of their stability poses a formidable task to the'nanophysical' community. Recently, we have presented a conceptually novel and versatile implicit solvent model, namely, the variational implicit solvent model (VISM, which is based on a geometric energy functional. As reviewed here, first solvation studies of simple hydrophobic solutes using VISM coupled with the numerical level-set scheme show promising results, and, in particular, capture nanobubble formation and its subtle competition to local energetic potentials in hydrophobic confinement.Água em condições normais consiste de um fluido termodinamicamente próximo à fase líquida-vapor exibindo alta tensão superficial. Esta combinação conduz a fenômenos capilares interessantes na escala microscópica. Simulações computacionais baseadas em técnicas de Dinâmica Molecular em solutos hidrofóbicos por exemplo fornecem evidências do fenômeno de evaporação capilar em escalas nanométricas dando origem à formação de

  20. Pneumatic fractures in Confined Granular Media

    Science.gov (United States)

    Eriksen, Fredrik K.; Toussaint, Renaud; Jørgen Måløy, Knut; Grude Flekkøy, Eirik; Turkaya, Semih

    2016-04-01

    We will present our ongoing study of the patterns formed when air flows into a dry, non-cohesive porous medium confined in a horizontal Hele-Shaw cell. This is an optically transparent system consisting of two glass plates separated by 0.5 to 1 mm, containing a packing of dry 80 micron beads in between. The cell is rectangular and has an air-permeable boundary (blocking beads) at one short edge, while the other three edges are completely sealed. The granular medium is loosely packed against the semi-permeable boundary and fills about 80 % of the cell volume. This leaves an empty region at the sealed side, where an inlet allows us to set and maintain the air at a constant overpressure (0.1 - 2 bar). For the air trapped inside the cell to relax its overpressure it has to move through the deformable granular medium. Depending on the applied overpressure and initial density of the medium, we observe a range of different behaviors such as seepage through the pore-network with or without an initial compaction of the solid, formation of low density bubbles with rearrangement of particles, granular fingering/fracturing, and erosion inside formed channels/fractures. The experiments are recorded with a high-speed camera at a framerate of 1000 images/s and a resolution of 1024x1024 pixels. We use various image processing techniques to characterize the evolution of the air invasion patterns and the deformations in the surrounding material. The experiments are similar to deformation processes in porous media which are driven by pore fluid overpressure, such as mud volcanoes and hydraulic or pneumatic (gas-induced) fracturing, and the motivation is to increase the understanding of such processes by optical observations. In addition, this setup is an experimental version of the numerical models analyzed by Niebling et al. [1,2], and is useful for comparison with their results. In a directly related project [3], acoustic emissions from the cell plate are recorded during

  1. Fractal scaling analysis of groundwater dynamics in confined aquifers

    Directory of Open Access Journals (Sweden)

    T. Tu

    2017-10-01

    Full Text Available Groundwater closely interacts with surface water and even climate systems in most hydroclimatic settings. Fractal scaling analysis of groundwater dynamics is of significance in modeling hydrological processes by considering potential temporal long-range dependence and scaling crossovers in the groundwater level fluctuations. In this study, it is demonstrated that the groundwater level fluctuations in confined aquifer wells with long observations exhibit site-specific fractal scaling behavior. Detrended fluctuation analysis (DFA was utilized to quantify the monofractality, and multifractal detrended fluctuation analysis (MF-DFA and multiscale multifractal analysis (MMA were employed to examine the multifractal behavior. The DFA results indicated that fractals exist in groundwater level time series, and it was shown that the estimated Hurst exponent is closely dependent on the length and specific time interval of the time series. The MF-DFA and MMA analyses showed that different levels of multifractality exist, which may be partially due to a broad probability density distribution with infinite moments. Furthermore, it is demonstrated that the underlying distribution of groundwater level fluctuations exhibits either non-Gaussian characteristics, which may be fitted by the Lévy stable distribution, or Gaussian characteristics depending on the site characteristics. However, fractional Brownian motion (fBm, which has been identified as an appropriate model to characterize groundwater level fluctuation, is Gaussian with finite moments. Therefore, fBm may be inadequate for the description of physical processes with infinite moments, such as the groundwater level fluctuations in this study. It is concluded that there is a need for generalized governing equations of groundwater flow processes that can model both the long-memory behavior and the Brownian finite-memory behavior.

  2. Fractal scaling analysis of groundwater dynamics in confined aquifers

    Science.gov (United States)

    Tu, Tongbi; Ercan, Ali; Kavvas, M. Levent

    2017-10-01

    Groundwater closely interacts with surface water and even climate systems in most hydroclimatic settings. Fractal scaling analysis of groundwater dynamics is of significance in modeling hydrological processes by considering potential temporal long-range dependence and scaling crossovers in the groundwater level fluctuations. In this study, it is demonstrated that the groundwater level fluctuations in confined aquifer wells with long observations exhibit site-specific fractal scaling behavior. Detrended fluctuation analysis (DFA) was utilized to quantify the monofractality, and multifractal detrended fluctuation analysis (MF-DFA) and multiscale multifractal analysis (MMA) were employed to examine the multifractal behavior. The DFA results indicated that fractals exist in groundwater level time series, and it was shown that the estimated Hurst exponent is closely dependent on the length and specific time interval of the time series. The MF-DFA and MMA analyses showed that different levels of multifractality exist, which may be partially due to a broad probability density distribution with infinite moments. Furthermore, it is demonstrated that the underlying distribution of groundwater level fluctuations exhibits either non-Gaussian characteristics, which may be fitted by the Lévy stable distribution, or Gaussian characteristics depending on the site characteristics. However, fractional Brownian motion (fBm), which has been identified as an appropriate model to characterize groundwater level fluctuation, is Gaussian with finite moments. Therefore, fBm may be inadequate for the description of physical processes with infinite moments, such as the groundwater level fluctuations in this study. It is concluded that there is a need for generalized governing equations of groundwater flow processes that can model both the long-memory behavior and the Brownian finite-memory behavior.

  3. Porous shaped photonic crystal fiber with strong confinement field in sensing applications: Design and analysis

    Directory of Open Access Journals (Sweden)

    Sawrab Chowdhury

    2017-04-01

    Full Text Available In this article, porous core porous cladding photonic crystal fiber (P-PCF has been proposed for aqueous analytes sensing applications. Guiding properties of the proposed P-PCF has been numerically investigated by utilizing the full vectorial finite element method (FEM. The relative sensitivity and confinement loss are obtained by varying distinct geometrical parameters like the diameter of air holes, a pitch of the core and cladding region over a wider range of wavelength. The proposed P-PCF is organized with five rings air hole in the cladding and two rings air hole in a core territory which maximizes the relative sensitivity expressively and minimizes confinement loss depressively compare with the prior-PCF structures. After completing all investigations, it is also visualized that the relative sensitivity is increasing with the increment of the wavelength of communication band (O + E + S + C + L + U. Higher sensitivity is gained by using higher band for all applied liquids. Finally the investigating effects of different structural parameters of the proposed P-PCF are optimized which shows the sensitivity of 60.57%, 61.45% and 61.82%; the confinement loss of 8.71 × 10−08 dB/m, 1.41 × 10−10 dB/m and 6.51 × 10−10 dB/m for Water (n = 1.33, Ethanol (n = 1.354 and Benzene (n = 1.366 respectively at 1.33 μm wavelength. The optimized P-PCF with higher sensitivity and lower confinement loss has high impact in the area of the chemical as well as gas sensing purposes.

  4. A compliant mechanism for inspecting extremely confined spaces

    Science.gov (United States)

    Mascareñas, David; Moreu, Fernando; Cantu, Precious; Shields, Daniel; Wadden, Jack; El Hadedy, Mohamed; Farrar, Charles

    2017-11-01

    We present a novel, compliant mechanism that provides the capability to navigate extremely confined spaces for the purpose of infrastructure inspection. Extremely confined spaces are commonly encountered during infrastructure inspection. Examples of such spaces can include pipes, conduits, and ventilation ducts. Often these infrastructure features go uninspected simply because there is no viable way to access their interior. In addition, it is not uncommon for extremely confined spaces to possess a maze-like architecture that must be selectively navigated in order to properly perform an inspection. Efforts by the imaging sensor community have resulted in the development of imaging sensors on the millimeter length scale. Due to their compact size, they are able to inspect many extremely confined spaces of interest, however, the means to deliver these sensors to the proper location to obtain the desired images are lacking. To address this problem, we draw inspiration from the field of endoscopic surgery. Specifically we consider the work that has already been done to create long flexible needles that are capable of being steered through the human body. These devices are typically referred to as ‘steerable needles.’ Steerable needle technology is not directly applicable to the problem of navigating maze-like arrangements of extremely confined spaces, but it does provide guidance on how this problem should be approached. Specifically, the super-elastic nitinol tubing material that allows steerable needles to operate is also appropriate for the problem of navigating maze-like arrangements of extremely confined spaces. Furthermore, the portion of the mechanism that enters the extremely confined space is completely mechanical in nature. The mechanical nature of the device is an advantage when the extremely confined space features environmental hazards such as radiation that could degrade an electromechanically operated mechanism. Here, we present a compliant mechanism

  5. QENS investigation of proton confined motions in hydrated perfluorinated sulfonic membranes and self-assembled surfactants

    Directory of Open Access Journals (Sweden)

    Berrod Quentin

    2015-01-01

    Full Text Available We report on QuasiElastic Neutron Scattering (QENS investigations of the dynamics of protons and water molecules confined in nanostructured perfluorinated sulfonic acid (PFSA materials, namely a commercial Aquivion membrane and the perfluorooctane sulfonic acid (PFOS surfactant. The former is used as electrolyte in low-temperature fuel cells, while the latter forms mesomorphous self-assembled phases in water. The dynamics was investigated as a function of the hydration level, in a wide time range by combining time-of-flight and backscattering incoherent QENS experiments. Analysis of the quasielastic broadening revealed for both systems the existence of localized translational diffusive motions, fast rotational motions and slow hopping of protons in the vicinity of the sulfonic charges. The characteristic times and diffusion coefficients have been found to exhibit a very similar behaviour in both membrane and surfactant structures. Our study provides a comprehensive picture of the proton motion mechanisms and the dynamics of confined water in model and real PFSA nanostructures.

  6. Effect of confinement on droplet coalescence in shear flow.

    Science.gov (United States)

    Chen, Dongju; Cardinaels, Ruth; Moldenaers, Paula

    2009-11-17

    The effect of confinement on the coalescence of Newtonian (polydimethylsiloxane) droplets in a Newtonian (polyisobutylene) matrix is investigated experimentally. A counter rotating parallel plate device, equipped with a microscopy setup, is used to visualize two interacting droplets during shear flow. The ratio of droplet-to-matrix viscosity is kept constant at 1.1. Droplet collisions are studied for a range of droplet sizes, both in bulk conditions and for gap spacings that are comparable to the droplet size. As a result, we present the first quantitative experimental data set for the coalescence of two equal-sized droplets in a pure shear flow with varying degrees of confinement. Compared to bulk conditions, for droplets smaller than roughly 0.2 times the gap spacing, a slight degree of confinement only decreases the orientation angle at which the droplets coalesce whereas the critical conditions for coalescence remain unaltered. For more confined conditions, the critical capillary number up to which coalescence can occur, increases. Therefore, confinement clearly promotes coalescence. In addition, the droplet trajectories, the time-dependent orientation angle of the droplet pair, and the droplet deformation prior to the coalescence event are systematically studied, and a comparison between the confined and the unconfined situation is provided. It is shown that the presence of two parallel walls can induce changes in the flow field around the droplet pair, which cause an increase of the interaction time between the droplets. Moreover, for sufficiently confined droplets, the additional force originating from the presence of the walls becomes comparable to the hydrodynamic force on the droplet pair, thus influencing the drainage of the matrix film between the droplet surfaces.

  7. Local order variations in confined hard-sphere fluids.

    Science.gov (United States)

    Nygård, Kim; Sarman, Sten; Kjellander, Roland

    2013-10-28

    Pair distributions of fluids confined between two surfaces at close distance are of fundamental importance for a variety of physical, chemical, and biological phenomena, such as interactions between macromolecules in solution, surface forces, and diffusion in narrow pores. However, in contrast to bulk fluids, properties of inhomogeneous fluids are seldom studied at the pair-distribution level. Motivated by recent experimental advances in determining anisotropic structure factors of confined fluids, we analyze theoretically the underlying anisotropic pair distributions of the archetypical hard-sphere fluid confined between two parallel hard surfaces using first-principles statistical mechanics of inhomogeneous fluids. For this purpose, we introduce an experimentally accessible ensemble-averaged local density correlation function and study its behavior as a function of confining slit width. Upon increasing the distance between the confining surfaces, we observe an alternating sequence of strongly anisotropic versus more isotropic local order. The latter is due to packing frustration of the spherical particles. This observation highlights the importance of studying inhomogeneous fluids at the pair-distribution level.

  8. Status report of confinement studies Douglas United Nuclear operated reactors

    Energy Technology Data Exchange (ETDEWEB)

    Spink, J.R.; Fifer, N.F. [comp.

    1965-11-30

    Confinement studies on the Hanford Production reactors were started in March at the request of the Richland Operations Office. The confinement studies were then undertaken with the following objectives established: (1) review and reestablish if necessary, the maximum credible accident for the production reactors operated by Douglas United Nuclear (DUN); (2) evaluate the present confinement systems under the Code of Federal Regulation Title 10, Part 100, Reactor Site Criteria, for the maximum credible accident and an accident corresponding to the failure of reactor fuel containing 50% of the reactor`s fission product inventory; (3) establish improvements or additions in the confinement system needed to more nearly comply with 10 CFR Part 100 radiation dose criteria for existing boundaries of the exclusion area and the low population zone for the maximum credible accident; and (4) list facility additions and changes required to comply with 10 CFR Part 100 criteria for more serious accidents than the maximum credible accident. This report presents the interim status of the confinement studies in meeting the listed objectives and lists the improvements which might be used to bring the reactors nearer to compliance with 10 CFR Part 100.

  9. High-Energy Electron Confinement in a Magnetic Cusp Configuration

    Directory of Open Access Journals (Sweden)

    Jaeyoung Park

    2015-06-01

    Full Text Available We report experimental results validating the concept that plasma confinement is enhanced in a magnetic cusp configuration when β (plasma pressure/magnetic field pressure is of order unity. This enhancement is required for a fusion power reactor based on cusp confinement to be feasible. The magnetic cusp configuration possesses a critical advantage: the plasma is stable to large scale perturbations. However, early work indicated that plasma loss rates in a reactor based on a cusp configuration were too large for net power production. Grad and others theorized that at high β a sharp boundary would form between the plasma and the magnetic field, leading to substantially smaller loss rates. While not able to confirm the details of Grad’s work, the current experiment does validate, for the first time, the conjecture that confinement is substantially improved at high β. This represents critical progress toward an understanding of the plasma dynamics in a high-β cusp system. We hope that these results will stimulate a renewed interest in the cusp configuration as a fusion confinement candidate. In addition, the enhanced high-energy electron confinement resolves a key impediment to progress of the Polywell fusion concept, which combines a high-β cusp configuration with electrostatic fusion for a compact, power-producing nuclear fusion reactor.

  10. Shape and Current Profile Effects on Runaway Electron Confinement

    Science.gov (United States)

    Izzo, V. A.; James, A. N.; Humphreys, D. A.; Granetz, R. S.; Whyte, D. G.; Olynyk, G. M.

    2011-10-01

    The potential for several MA of current carried by multi-MeV runaway electrons (REs) during ITER disruptions has motivated a variety of experiments in present-day tokamaks studying RE generation, confinement, and control. In both DIII-D and Alcator C Mod, different RE behavior is seen in limited vs. diverted plasmas, suggesting better RE confinement for limited shapes. NIMROD simulations of rapid shutdowns in both devices support this finding, and show reduced stochasticity in limited plasma shapes. Integration of RE drift-orbits also shows differences in RE strike-points that are consistent with experimental observations. In DIII-D a wide variation in RE confinement results for diverted discharges may also point to current density profile effects on RE confinement. Several DIII-D diverted discharges are modeled with NIMROD. Confined RE fractions found in NIMROD are mostly consistent with observed RE currents in DIII-D, although other effects, such as seed generation and avalanching may contribute to the experimental variation. Work supported by US DOE under DE-FC02-06ER54861, DE-FG02-05ER54809, DE-FG02-07ER54917, DE-FC02-04ER54698 and DE-FG02-04ER54762.

  11. Issues in tokamak/stellarator transport and confinement enhancement mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Perkins, F.W.

    1990-08-01

    At present, the mechanism for anomalous energy transport in low-{beta} toroidal plasmas -- tokamaks and stellarators -- remains unclear, although transport by turbulent E {times} B velocities associated with nonlinear, fine-scale microinstabilities is a leading candidate. This article discusses basic theoretical concepts of various transport and confinement enhancement mechanisms as well as experimental ramifications which would enable one to distinguish among them and hence identify a dominant transport mechanism. While many of the predictions of fine-scale turbulence are born out by experiment, notable contradictions exist. Projections of ignition margin rest both on the scaling properties of the confinement mechanism and on the criteria for entering enhanced confinement regimes. At present, the greatest uncertainties lie with the basis for scaling confinement enhancement criteria. A series of questions, to be answered by new experimental/theoretical work, is posed to resolve these outstanding contradictions (or refute the fine-scale turbulence model) and to establish confinement enhancement criteria. 73 refs., 4 figs., 5 tabs.

  12. Effects of confinement on protein folding and protein stability

    Science.gov (United States)

    Ping, G.; Yuan, J. M.; Vallieres, M.; Dong, H.; Sun, Z.; Wei, Y.; Li, F. Y.; Lin, S. H.

    2003-05-01

    In a cell, proteins exist in crowded environments; these environments influence their stability and dynamics. Similarly, for an enzyme molecule encapsulated in an inorganic cavity as in biosensors or biocatalysts, confinement and even surface effects play important roles in its stability and dynamics. Using a minimalist model (two-dimensional HP lattice model), we have carried out Monte Carlo simulations to study confinement effects on protein stability. We have calculated heat capacity as a function of temperature using the histogram method and results obtained show that confinement tends to stabilize the folded conformations, consistent with experimental results (some reported here) and previous theoretical analyses. Furthermore, for a protein molecule tethered to a solid surface the stabilization effect can be even greater. We have also investigated the effects of confinement on the kinetics of the refolding and unfolding processes as functions of temperature and box size. As expected, unfolding time increases as box size decreases, however, confinement affects folding times in a more complicated way. Our theoretical results agree with our experimentally observed trends that thermal stability of horseradish peroxidase and acid phosphatase, encapsulated in mesoporous silica, increases as the pore size of the silica matrix decreases.

  13. 2010 Water & Aqueous Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Dor Ben-Amotz

    2010-08-13

    Water covers more than two thirds of the surface of the Earth and about the same fraction of water forms the total mass of a human body. Since the early days of our civilization water has also been in the focus of technological developments, starting from converting it to wine to more modern achievements. The meeting will focus on recent advances in experimental, theoretical, and computational understanding of the behavior of the most important and fascinating liquid in a variety of situations and applications. The emphasis will be less on water properties per se than on water as a medium in which fundamental dynamic and reactive processes take place. In the following sessions, speakers will discuss the latest breakthroughs in unraveling these processes at the molecular level: Water in Solutions; Water in Motion I and II; Water in Biology I and II; Water in the Environment I and II; Water in Confined Geometries and Water in Discussion (keynote lecture and poster winners presentations).

  14. Exploiting Confinement Effects to Tune Selectivity in Cyclooctane Metathesis

    KAUST Repository

    Pump, Eva

    2017-08-24

    The mechanism of cyclooctane metathesis using confinement effect strategies in mesoporous silica nanoparticles (MSNs) is discussed by catalytic experiments and density functional theory (DFT) calculations. WMe6 was immobilized inside the pores of a series of MSNs having the same structure but different pore diameters (60, 30 and 25 Å). Experiments in cyclooctane metathesis suggest that confinement effects observed in smaller pores (30 and 25 Å) improve selectivity towards the dimeric cyclohexadecane. In contrast, in larger pores (60 Å) a broad product distribution dominated by ring contracted cycloalkanes was found. The catalytic cycle and potential side reactions occurring at [(≡SiO-)WMe5] were examined with DFT calculations. Analysis of the geometries for the key reaction intermediates allowed to rationalize the impact of a confined environment on the enhanced selectivity towards the dimeric product in smaller pores, while in large pores the ring contracted products are favored.

  15. Confined contextuality in neutron interferometry: Observing the quantum pigeonhole effect

    Science.gov (United States)

    Waegell, Mordecai; Denkmayr, Tobias; Geppert, Hermann; Ebner, David; Jenke, Tobias; Hasegawa, Yuji; Sponar, Stephan; Dressel, Justin; Tollaksen, Jeff

    2017-11-01

    Previous experimental tests of quantum contextuality based on the Bell-Kochen-Specker (BKS) theorem have demonstrated that not all observables among a given set can be assigned noncontextual eigenvalue predictions, but have never identified which specific observables must fail such assignment. We now remedy this shortcoming by showing that BKS contextuality can be confined to particular observables by pre- and postselection, resulting in anomalous weak values that we measure using modern neutron interferometry. We construct a confined contextuality witness from weak values, which we measure experimentally to obtain a 5 σ average violation of the noncontextual bound, with one contributing term violating an independent bound by more than 99 σ . This weakly measured confined BKS contextuality also confirms the quantum pigeonhole effect, wherein eigenvalue assignments to contextual observables apparently violate the classical pigeonhole principle.

  16. Highly Confined Electronic and Ionic Conduction in Oxide Heterostructures

    DEFF Research Database (Denmark)

    Pryds, Nini

    2015-01-01

    The conductance confined at the interface of complex oxide heterostructures provides new opportunities to explore nanoelectronic as well as nanoionic devices. In this talk I will present our recent results both on ionic and electronic conductivity at different heterostructures systems. In the first...... unattainable for Bi2O3-based materials, is achieved[1]. These confined heterostructures provide a playground not only for new high ionic conductivity phenomena that are sufficiently stable but also uncover a large variety of possible technological perspectives. At the second part, I will discuss and show our...... recent results of high mobile samples realized by, interface confined redox reactions[2], strain induced polarization[3]and modulation doping at complex oxide interfaces. This collection of samples offers unique opportunities for a wide range of rich world of mesoscopic physics. [1] S. Sanne et al...

  17. Modeling of Dilute Polymer Solutions in Confined Space

    DEFF Research Database (Denmark)

    Wang, Yanwei

    2009-01-01

    to macromolecules is critical to the design and application of those devices. Our primary interest is to provide an understanding of the separation principle of polymers in size exclusion chromatography (SEC), where under ideal conditions the polymer concentration is low, and detailed enthalpic interactions......This thesis deals with modeling of a polymer chain subject to spatial confinement. The properties of confined macromolecules are both of fundamental interest in polymer physics and of practical importance in a variety of applications including chromatographic separation of polymers, and the use...... by simple mathematical analyses. When the CABS method is applied to compute the equilibrium distribution (the equilibrium partition coefficient, Ko) of polymers between a dilute macroscopic solution phase and a solution confined by inert impenetrable boundaries, a sphere-like universal partitioning feature...

  18. Climbing, falling and jamming during ant locomotion in confined environments

    CERN Document Server

    Gravish, Nick; Goodisman, Michael A D; Goldman, Daniel I

    2013-01-01

    Locomotion emerges from effective interactions of an individual with its environment. Principles of biological terrestrial locomotion have been discovered on unconfined vertical and horizontal substrates. However a diversity of organisms construct, inhabit, and move within confined spaces. Such animals are faced with locomotor challenges including limited limb range of motion, crowding, and visual sensory deprivation. Little is known about how these organisms accomplish their locomotor tasks, and such environments challenge human-made devices. To gain greater insight into how animals move within confined spaces we study the confined locomotion of the fire ant {\\em Solenopsis invicta}, which constructs subterranean tunnel networks (nests). Laboratory experiments reveal that ants construct tunnels with diameter, D, comparable to bodylength, L=3.5 $\\pm$ 0.5 mm. Ants can move rapidly (> 9 bodylengths/sec) within these environments; their tunnels allow for effective limb, body, and antennae interaction with walls ...

  19. Effects of vertical confinement on gelation and sedimentation of colloids.

    Science.gov (United States)

    Razali, Azaima; Fullerton, Christopher J; Turci, Francesco; Hallett, James E; Jack, Robert L; Royall, C Patrick

    2017-05-03

    We consider the sedimentation of a colloidal gel under confinement in the direction of gravity. The confinement allows us to compare directly experiments and computer simulations, for the same system size in the vertical direction. The confinement also leads to qualitatively different behaviour compared to bulk systems: in large systems gelation suppresses sedimentation, but for small systems sedimentation is enhanced relative to non-gelling suspensions, although the rate of sedimentation is reduced when the strength of the attraction between the colloids is strong. We map interaction parameters between a model experimental system (observed in real space) and computer simulations. Remarkably, we find that when simulating the system using Brownian dynamics in which hydrodynamic interactions between the particles are neglected, we find that sedimentation occurs on the same timescale as the experiments. An analysis of local structure in the simulations showed similar behaviour to gelation in the absence of gravity.

  20. Inertial-Electrostatic Confinement (IEC) Fusion for Space Propulsion

    Science.gov (United States)

    Nadler, Jon

    1999-01-01

    An Inertial-Electrostatic Confinement (IEC) device was assembled at the Marshall Space Flight Center (MSFC) Propulsion Research Center (PRC) to study the possibility of using EEC technology for deep space propulsion and power. Inertial-Electrostatic Confinement is capable of containing a nuclear fusion plasma in a series of virtual potential wells. These wells would substantially increase plasma confinement, possibly leading towards a high-gain, breakthrough fusion device. A one-foot in diameter IEC vessel was borrowed from the Fusion Studies Laboratory at the University of Illinois@Urbana-Champaign for the summer. This device was used in initial parameterization studies in order to design a larger, actively cooled device for permanent use at the PRC.

  1. Characteristics of inhomogeneous jets in confined swirling air flows

    Science.gov (United States)

    So, R. M. C.; Ahmed, S. A.

    1984-01-01

    An experimental program to study the characteristics of inhomogeneous jets in confined swirling flows to obtain detailed and accurate data for the evaluation and improvement of turbulent transport modeling for combustor flows is discussed. The work was also motivated by the need to investigate and quantify the influence of confinement and swirl on the characteristics of inhomogeneous jets. The flow facility was constructed in a simple way which allows easy interchange of different swirlers and the freedom to vary the jet Reynolds number. The velocity measurements were taken with a one color, one component DISA Model 55L laser-Doppler anemometer employing the forward scatter mode. Standard statistical methods are used to evaluate the various moments of the signals to give the flow characteristics. The present work was directed at the understanding of the velocity field. Therefore, only velocity and turbulence data of the axial and circumferential components are reported for inhomogeneous jets in confined swirling air flows.

  2. Physical investigation of a quad confinement plasma source

    Science.gov (United States)

    Knoll, Aaron; Lucca Fabris, Andrea; Young, Christopher; Cappelli, Mark

    2016-10-01

    Quad magnetic confinement plasma sources are novel magnetized DC discharges suitable for applications in a broad range of fields, particularly space propulsion, plasma etching and deposition. These sources contain a square discharge channel with magnetic cusps at the four lateral walls, enhancing plasma confinement and electron residence time inside the device. The magnetic field topology is manipulated using four independent electromagnets on each edge of the channel, tuning the properties of the generated plasma. We characterize the plasma ejected from the quad confinement sources using a combination of traditional electrostatic probes and non-intrusive laser-based diagnostics. Measurements show a strong ion acceleration layer located 8 cm downstream of the exit plane, beyond the extent of the magnetic field. The ion velocity field is investigated with different magnetic configurations, demonstrating how ion trajectories may be manipulated. C.Y. acknowledges support from the DOE NSSA Stewardship Science Graduate Fellowship under contract DE-FC52-08NA28752.

  3. Polymerization Within Confined Nanochannels of Porous Metal-Organic Frameworks

    Science.gov (United States)

    Hu, Zhigang; Zhao, Dan

    2013-06-01

    Metal-organic frameworks (MOFs) have been increasingly investigated as templates for precise control of polymerization. Polymerizations within confined nanochannels of porous MOFs have shown unique confinement and alignment effect on polymer chain structures and thus are promising ways to achieve well-defined polymers. Herein, this review will focus on illustrating the recent progress of polymerization within confined nanochannels of MOFs, including radical polymerization, coordination polymerization, ring-opening polymerization, catalytic polymerization, etc. It will demonstrate how the heterogeneous MOF structures (pore size, pore shapes, flexible structures, and versatile functional groups) affect the polymeric products' molecular weight, molecular weight distribution, tacticity, reaction sites, copolymer sequence, etc. Meanwhile, we will highlight some challenges and foreseeable prospects on these novel polymerization methods.

  4. Apparatus for magnetic and electrostatic confinement of plasma

    Science.gov (United States)

    Rostoker, Norman [Irvine, CA; Binderbauer, Michl [Irvine, CA

    2009-08-04

    An apparatus and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions ions are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

  5. Confinement-induced Molecular Templating and Controlled Ligation

    Science.gov (United States)

    Berard, Daniel; Shayegan, Marjan; Michaud, François; Henkin, Gil; Scott, Shane; Leith, Jason; Leslie, Sabrina; Leslie Lab Team

    Loading and manipulating long DNA molecules within sub-50 nm cross-section nanostructures for genomic and biochemical analyses, while retaining their structural integrity, present key technological challenges to the biotechnology sector, such as device clogging and molecular breakage. We overcome these challenges by using Convex Lens-induced Confinement (CLiC) technology to gently load DNA into nanogrooves from above. Here, we demonstrate single-fluorophore visualization of custom DNA barcodes as well as efficient top-loading of DNA into sub-50 nm nanogrooves of variable topographies. We study confinement-enhanced self-ligation of polymers loaded in circular nanogrooves. Further, we use concentric, circular nanogrooves to eliminate confinement gradient-induced drift of stretched DNA.

  6. Apparatus for magnetic and electrostatic confinement of plasma

    Energy Technology Data Exchange (ETDEWEB)

    Rostoker, Norman; Binderbauer, Michl

    2016-07-05

    An apparatus and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions ions are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

  7. Linking of uniform random polygons in confined spaces

    Energy Technology Data Exchange (ETDEWEB)

    Arsuaga, J [Department of Mathematics, San Francisco State University, 1600 Holloway Ave, San Francisco, CA 94132 (United States); Blackstone, T [Department of Computer Science, San Francisco State University, 1600 Holloway Ave, San Francisco, CA 94132 (United States); Diao, Y [Department of Mathematics and Statistics University of North Carolina, Charlotte 9201, University City Blvd Charlotte, NC 28223 (United States); Karadayi, E [Department of Mathematics, University of South Florida, 4202 E Fowler Avenue Tampa, FL 33620 (United States); Saito, M [Department of Mathematics, University of South Florida, 4202 E Fowler Avenue Tampa, FL 33620 (United States)

    2007-03-02

    In this paper, we study the topological entanglement of uniform random polygons in a confined space. We derive the formula for the mean squared linking number of such polygons. For a fixed simple closed curve in the confined space, we rigorously show that the linking probability between this curve and a uniform random polygon of n vertices is at least 1-O(1/{radical}n). Our numerical study also indicates that the linking probability between two uniform random polygons (in a confined space), of m and n vertices respectively, is bounded below by 1-O(1/{radical}(mn)). In particular, the linking probability between two uniform random polygons, both of n vertices, is bounded below by 1-O(1/n)

  8. Self-assembly of ABA triblock copolymers under soft confinement

    Science.gov (United States)

    Sheng, Yuping; An, Jian; Zhu, Yutian

    2015-05-01

    Using Monte Carlo method, the self-assembly of ABA triblock copolymers under soft confinement is investigated in this study. The soft confinement is achieved by a poor solvent environment for the polymer, which makes the polymer aggregate into a droplet. Various effects, including the block length ratio, the solvent quality for the blocks B, and the incompatibility between blocks A and B, on the micellar structures induced by soft confinement are examined. By increasing the solvent quality of B blocks, the micellar structure transforms from stacked lamella to bud-like structure, and then to onion-like structure for A5B8A5 triblock copolymers, while the inner micellar structure changes from spherical phase to various cylindrical phase, such as inner single helix, double helixes, stacked rings and cage-like structures, for A7B4A7 triblock copolymers. Moreover, the formation pathways of some typical aggregates are examined to illustrate their growth mechanisms.

  9. Collective waves in dense and confined microfluidic droplet arrays.

    Science.gov (United States)

    Schiller, Ulf D; Fleury, Jean-Baptiste; Seemann, Ralf; Gompper, Gerhard

    2015-08-07

    Excitation mechanisms for collective waves in confined dense one-dimensional microfluidic droplet arrays are investigated by experiments and computer simulations. We demonstrate that distinct modes can be excited by creating specific 'defect' patterns in flowing droplet trains. Excited longitudinal modes exhibit a short-lived cascade of pairs of laterally displacing droplets. Transversely excited modes obey the dispersion relation of microfluidic phonons and induce a coupling between longitudinal and transverse modes, whose origin is the hydrodynamic interaction of the droplets with the confining walls. Moreover, we investigate the long-time behaviour of the oscillations and discuss possible mechanisms for the onset of instabilities. Our findings demonstrate that the collective dynamics of microfluidic droplet ensembles can be studied particularly well in dense and confined systems. Experimentally, the ability to control microfluidic droplets may allow the modulation of the refractive index of optofluidic crystals, which is a promising approach for the production of dynamically programmable metamaterials.

  10. Thermonuclear plasma physic: inertial confinement fusion; Physique des plasmas thermonucleaires: la fusion par confinement inertiel

    Energy Technology Data Exchange (ETDEWEB)

    Bayer, Ch.; Juraszek, D

    2001-07-01

    Inertial Confinement Fusion (ICF) is an approach to thermonuclear fusion in which the fuel contained in a spherical capsule is strongly compressed and heated to achieve ignition and burn. The released thermonuclear energy can be much higher than the driver energy, making energetic applications attractive. Many complex physical phenomena are involved by the compression process, but it is possible to use simple analytical models to analyze the main critical points. We first determine the conditions to obtain fuel ignition. High thermonuclear gains are achieved if only a small fraction of the fuel called hot spot is used to trigger burn in the main fuel compressed on a low isentrope. A simple hot spot model will be described. The high pressure needed to drive the capsule compression are obtained by the ablation process. A simple Rocket model describe the main features of the implosion phase. Several parameters have to be controlled during the compression: irradiation symmetry, hydrodynamical stability and when the driver is a laser, the problems arising from interaction of the EM wave with the plasma. Two different schemes are examined: Indirect Drive which uses X-ray generated in a cavity to drive the implosion and the Fast Ignitor concept using a ultra intense laser beam to create the hot spot. At the end we present the Laser Megajoule (LMJ) project. LMJ is scaled to a thermonuclear gain of the order of ten. (authors)

  11. Turbulent Flame Stabilization Methods Using Confinement, Diluents, and High-Potential Electric Fields

    Science.gov (United States)

    2014-08-03

    due to an increase in turbulent swirling . Liftoff delays were also present in both the semi-confined and fully confined cases, such that a higher jet ...1. Determine if confining a methane jet flame (with the presence of ambient coflow) would increase flame stability and decrease turbulent swirling ...confined (confinement cylinder with viewing window open) behaved much more sporadically due to an increase in turbulent swirling . Liftoff delays were

  12. A Tragedy of Democracy: Japanese Confinement in North America

    Directory of Open Access Journals (Sweden)

    Greg Robinson

    2010-03-01

    Full Text Available

    The confinement of some 120,000 Japanese Americans during World War II, often called the Japanese American internment, has been described as the worst official civil rights violation of modern U. S. history. Greg Robinson not only offers a bold new understanding of these events but also studies them within a larger time frame and from a transnational perspective. Drawing on newly discovered material, Robinson provides a backstory of confinement that reveals for the first time the extent of the American government's surveillance of Japanese communities in the years leading up to war and the construction of what officials termed "concentration camps" for enemy aliens. He also considers the aftermath of confinement, including the place of Japanese Americans in postwar civil rights struggles, the long movement by former camp inmates for redress, and the continuing role of the camps as touchstones for nationwide commemoration and debate. Most remarkably, A Tragedy of Democracy is the first book to analyze official policy toward West Coast Japanese Americans within a North American context. Robinson studies confinement on the mainland alongside events in wartime Hawaii, where fears of Japanese Americans justified Army dictatorship, suspension of the Constitution, and the imposition of military tribunals. He similarly reads the treatment of Japanese Americans against Canada's confinement of 22,000 citizens and residents of Japanese ancestry from British Columbia. A Tragedy of Democracy recounts the expulsion of almost 5,000 Japanese from Mexico's Pacific Coast and the poignant story of the Japanese Latin Americans who were kidnapped from their homes and interned in the United States. Approaching Japanese confinement as a continental and international phenomenon, Robinson offers a truly kaleidoscopic understanding of its genesis and outcomes.

  13. A Tragedy of Democracy: Japanese Confinement in North America

    Directory of Open Access Journals (Sweden)

    Greg Robinson

    2010-03-01

    Full Text Available The confinement of some 120,000 Japanese Americans during World War II, often called the Japanese American internment, has been described as the worst official civil rights violation of modern U. S. history. Greg Robinson not only offers a bold new understanding of these events but also studies them within a larger time frame and from a transnational perspective. Drawing on newly discovered material, Robinson provides a backstory of confinement that reveals for the first time the extent of the American government's surveillance of Japanese communities in the years leading up to war and the construction of what officials termed "concentration camps" for enemy aliens. He also considers the aftermath of confinement, including the place of Japanese Americans in postwar civil rights struggles, the long movement by former camp inmates for redress, and the continuing role of the camps as touchstones for nationwide commemoration and debate. Most remarkably, A Tragedy of Democracy is the first book to analyze official policy toward West Coast Japanese Americans within a North American context. Robinson studies confinement on the mainland alongside events in wartime Hawaii, where fears of Japanese Americans justified Army dictatorship, suspension of the Constitution, and the imposition of military tribunals. He similarly reads the treatment of Japanese Americans against Canada's confinement of 22,000 citizens and residents of Japanese ancestry from British Columbia. A Tragedy of Democracy recounts the expulsion of almost 5,000 Japanese from Mexico's Pacific Coast and the poignant story of the Japanese Latin Americans who were kidnapped from their homes and interned in the United States. Approaching Japanese confinement as a continental and international phenomenon, Robinson offers a truly kaleidoscopic understanding of its genesis and outcomes.

  14. Functional assembly of protein fragments induced by spatial confinement.

    Directory of Open Access Journals (Sweden)

    Yongsheng Yu

    Full Text Available Natural proteins are often confined within their local microenvironments, such as three-dimensional confinement in organelles or two-dimensional confinement in lipid rafts on cytoplasmic membrane. Spatial confinement restricts proteins' entropic freedom, forces their lateral interaction, and induces new properties that the same proteins lack at the soluble state. So far, the phenomenon of environment-induced protein functional alteration still lacks a full illustration. We demonstrate here that engineered protein fragments, although being non-functional in solution, can be re-assembled within the nanometer space to give the full activity of the whole protein. Specific interaction between hexahistidine-tag (His-tag and NiO surface immobilizes protein fragments on NiO nanoparticles to form a self-assembled protein "corona" on the particles inside the nanopores of mesoporous silica. Site-specific assembly forces a shoulder-by-shoulder orientation and promotes fragment-fragment interaction; this interaction together with spatial confinement of the mesopores results in functional re-assembly of the protein half fragments. To our surprise, a single half fragment of luciferase (non-catalytic in solution exhibited luciferase activity when immobilized on NiO in the mesopores, in the absence of the complimentary half. This shows for the first time that spatial confinement can induce the folding of a half fragment, reconstitute the enzyme active site, and re-gain the catalytic capability of the whole protein. Our work thereby highlights the under-documented notion that aside from the chemical composition such as primary sequence, physical environment of a protein also determines its function.

  15. Regional fluid flow and heat distribution over geological time scales at the margin of unconfined and confined carbonate sequences

    Science.gov (United States)

    Havril, Timea; Mádl-Szönyi, Judit; Molson, John

    2016-04-01

    permeability confining formation, which facilitates buoyancy-driven flow by restricting the dissipation of heat. Over geological time, these cells were gradually overprinted by gravity-driven flow and thermal advection due to the uplift of the western part of the system. The limited thickness of the cover along the western block allowed efficient water infiltration into the system, which leads to an increased cooling effect. Further uplifting of the western part leads to a change of the main character of the flow patterns, with gravity-driven groundwater flow dominating over the effect of buoyancy-driven flow. Although cooling of the system has significantly progressed, conditions over the confined part of the system are still favorable for the development of thermal convection cells, and leads to significant heat accumulation under the confined sub-basin. The flow and heat transport simulations have helped to derive the main evolutionary characteristics of groundwater flow and heat transport patterns for the unconfined and confined parts of the region. The result is flow convergence toward the discharge zone from different sources over geological time scales. This is decisive for heat accumulation as well as for the development of a deep geothermal energy potential in confined carbonates. The research is supported by the Hungarian Research Fund.

  16. Confined zone dispersion flue gas desulfurization demonstration

    Energy Technology Data Exchange (ETDEWEB)

    1991-09-05

    The CZD process involves flue gas post-treatment, physically located between a boiler's outlet and its particulate collector, which in the majority of cases is an electrostatic precipitator. The features that distinguish this process from other similar injection processes are: Injection of an alkaline slurry directly into the duct, instead of injection of dry solids into the duct ahead of a fabric filter. Use of an ultrafine calcium/magnesium hydroxide, type S pressure-hydrated dolomitic lime. This commercial product is made from plentiful, naturally occurring dolomite. Low residence time, made possibly by the high effective surface area of the type S lime. Localized dispersion of the reagent. Slurry droplets contact only part of the gas while the droplets are drying, to remove up to 50 percent of the SO{sub 2} and significant amounts of NO{sub x}. The process uses dual fluid rather than rotary atomizers. Improved ESP performance via gas conditioning from the increased water vapor content, and lower temperatures. Supplemental conditioning with SO{sub 3} is not believed necessary for satisfactory removal of particulate matter. The waste product is composed of magnesium and calcium sulfite and sulfate, with some excess lime. This product mixed with fly ash is self-stabilizing because of the excess lime values, and thus tends to retain heavy metals in insoluble forms within the fly ash.

  17. Confinement-deconfinement transitions in a model of interacting dislocations

    Science.gov (United States)

    Balakrishnan, V.; Bottani, C. E.

    1986-04-01

    An exact solution is found for the equilibrium dislocation distribution in a continuum model of interacting parallel dislocations moving in a common slip plane, under an external shear σ and a realistic internal stress barrier that is finite everywhere on the slip plane. As functions of σ and the total populations, we find regions of two-component confinement (a compact distribution of dislocations of both signs), stable single-component confinement, and breakaway. Stability properties are summarized and critical lines on the bifurcation surface are identified.

  18. Elastic scattering of positronium: Application of the confined variational method

    KAUST Repository

    Zhang, Junyi

    2012-08-01

    We demonstrate for the first time that the phase shift in elastic positronium-atom scattering can be precisely determined by the confined variational method, in spite of the fact that the Hamiltonian includes an unphysical confining potential acting on the center of mass of the positron and one of the atomic electrons. As an example, we study the S-wave elastic scattering for the positronium-hydrogen scattering system, where the existing 4% discrepancy between the Kohn variational calculation and the R-matrix calculation is resolved. © Copyright EPLA, 2012.

  19. Simulation of transition dynamics to high confinement in fusion plasmas

    DEFF Research Database (Denmark)

    Nielsen, Anders Henry; Xu, G. S.; Madsen, Jens

    2015-01-01

    The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST. Particula...... are highly relevant for developing predictive models of the transition, essential for understanding and optimizing future fusion power reactors........ Particularly, the slow transition with an intermediate dithering phase is well reproduced at proper parameters. The model recovers the power threshold for the L-H transition as well as the decrease in power threshold switching from single to double null configuration observed experimentally. The results...

  20. Ladder Operators for Quantum Systems Confined by Dihedral Angles

    Directory of Open Access Journals (Sweden)

    Eugenio Ley-Koo

    2012-09-01

    Full Text Available We report the identification and construction of raising and lowering operators for the complete eigenfunctions of isotropic harmonic oscillators confined by dihedral angles, in circular cylindrical and spherical coordinates; as well as for the hydrogen atom in the same situation of confinement, in spherical, parabolic and prolate spheroidal coordinates. The actions of such operators on any eigenfunction are examined in the respective coordinates, illustrating the possibility of generating the complete bases of eigenfunctions in the respective coordinates for both physical systems. The relationships between the eigenfunctions in each pair of coordinates, and with the same eigenenergies are also illustrated.

  1. Embedding beyond electrostatics-The role of wave function confinement.

    Science.gov (United States)

    Nåbo, Lina J; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna; Solanko, Lukasz M; Wüstner, Daniel; Kongsted, Jacob

    2016-09-14

    We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π(∗) transition, which was not possible using an embedding method that only includes electrostatics. This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods.

  2. Nonlocal response in plasmonic waveguiding with extreme light confinement

    DEFF Research Database (Denmark)

    Toscano, Giuseppe; Raza, Søren; Yan, Wei

    2013-01-01

    We present a novel wave equation for linearized plasmonic response, obtained by combining the coupled real-space differential equations for the electric field and current density. Nonlocal dynamics are fully accounted for, and the formulation is very well suited for numerical implementation......, allowing us to study waveguides with subnanometer cross-sections exhibiting extreme light confinement. We show that groove and wedge waveguides have a fundamental lower limit in their mode confinement, only captured by the nonlocal theory. The limitation translates into an upper limit for the corresponding...

  3. Optical response of alkali metal atoms confined in nanoporous glass

    Energy Technology Data Exchange (ETDEWEB)

    Burchianti, A; Marinelli, C; Mariotti, E; Bogi, A; Marmugi, L; Giomi, S; Maccari, M; Veronesi, S; Moi, L [CNISM and DSFTA, University of Siena, via Roma 56, 53100 Siena (Italy)

    2014-03-28

    We study the influence of optical radiation on adsorption and desorption processes of alkali metal atoms confined in nanoporous glass matrices. Exposure of the sample to near-IR or visible light changes the atomic distribution inside the glass nanopores, forcing the entire system to evolve towards a different state. This effect, due to both atomic photodesorption and confinement, causes the growth and evaporation of metastable nanoparticles. It is shown that, by a proper choice of light characteristics and pore size, these processes can be controlled and tailored, thus opening new perspectives for fabrication of nanostructured surfaces. (nanoobjects)

  4. Aspects of Confinement and Screening in M theory

    CERN Document Server

    Elitzur, Shmuel; Rabinovici, Eliezer; Elitzur, Shmuel; Pelc, Oskar; Rabinovici, Eliezer

    1999-01-01

    Confinement and Screening are investigated in SUSY gauge theories, realized by an M5 brane configuration, extending an approach applied previously to N=1 SYM theory, to other models. The electric flux tubes are identified as M2 branes ending on the M5 branes and the conserved charge they carry is identified as a topological property. The group of charges carried by the flux tubes is calculated and the results agree in all cases considered with the field theoretical expectations. In particular, whenever the dynamical matter is expected to screen the confining force, this is reproduced correctly in the M theory realization.

  5. Structure and Barrier Properties of Multinanolayered Biodegradable PLA/PBSA Films: Confinement Effect via Forced Assembly Coextrusion.

    Science.gov (United States)

    Messin, Tiphaine; Follain, Nadège; Guinault, Alain; Sollogoub, Cyrille; Gaucher, Valérie; Delpouve, Nicolas; Marais, Stéphane

    2017-08-30

    Multilayer coextrusion processing was applied to produce 2049-layer film of poly(butylene succinate-co-butylene adipate) (PBSA) confined against poly(lactic acid) (PLA) using forced assembly, where the PBSA layer thickness was about 60 nm. This unique technology allowed to process semicrystalline PBSA as confined polymer and amorphous PLA as confining polymer in a continuous manner. The continuity of PBSA layers within the 80/20 wt % PLA/PBSA layered films was clearly evidenced by atomic force microscopy (AFM). Similar thermal events to the reference films were revealed by thermal studies; indicating no diffusion of polymers during the melt-processing. Mechanical properties were measured for the multilayer film and the obtained results were those expected considering the fraction of each polymer, revealing the absence of delamination in the PLA/PBSA multinanolayer film. The confinement effect induced by PLA led to a slight orientation of the crystals, an increase of the rigid amorphous fraction (RAF) in PBSA with a densification of this fraction without changing film crystallinity. These structural changes allowed to strongly improve the water vapor and gas barrier properties of the PBSA layer into the multilayer film up to two decades in the case of CO2 gas. By confining the PBSA structure in very thin and continuous layers, it was then possible to improve the barrier performances of a biodegradable system and the resulting barrier properties were successfully correlated to the effect of confinement on the microstructure and the chain segment mobility of the amorphous phase. Such investigation on these multinanolayers of PLA/PBSA with the aim of evidencing relationships between microstructure implying RAF and barrier performances has never been performed yet. Besides, gas and water permeation results have shown that the barrier improvement obtained from the multilayer was mainly due to the reduction of solubility linked to the reduction of the free volume while

  6. Chemistry in confined spaces: Reactivity of the Zn-MOF-74 channels

    CERN Document Server

    Zuluaga, S; Tan, K; Arter, C A; Li, J; Chabal, I J; Thonhauser, T

    2016-01-01

    Using infrared spectroscopy combined with ab initio methods we study reactions of H$_2$O and CO inside the confined spaces of Zn-MOF-74 channels. Our results show that, once the water dissociation reaction H$_2$O$\\;\\rightarrow\\;$OH+H takes place at the metal centers, the addition of 40 Torr of CO at 200 $^{\\circ}$C starts the production of formic acid via OH+H+CO$\\;\\rightarrow\\;$HCO$_2$H. Our detailed analysis shows that the overall reaction H$_2$O+CO$\\;\\rightarrow\\;$HCO$_2$H takes place in the confinement of MOF-74 without an external catalyst, unlike the same reaction on flat surfaces. This discovery has several important consequences: It opens the door to a new set of catalytic reactions inside the channels of the MOF-74 system, it suggests that a recovery of the MOF's adsorption capacity is possible after it has been exposed to water (which in turn stabilizes its crystal structure), and it produces the important industrial feedstock formic acid.

  7. Analysis of a turbulent buoyant confined jet modeled using realizable k-ε model

    KAUST Repository

    El-Amin, Mohamed

    2010-06-13

    Through this paper, analyses of components of the unheated/heated turbulent confined jet are introduced and some models to describe them are developed. Turbulence realizable k-ε model is used to model the turbulence of this problem. Numerical simulations of 2D axisymmetric vertical hot water confined jet into a cylindrical tank have been done. Solutions are obtained for unsteady flow while velocity, pressure, temperature and turbulence distributions inside the water tank are analyzed. For seeking verification, an experiment was conducted for measuring of the temperature of the same system, and comparison between the measured and simulated temperature shows a good agreement. Using the simulated results, some models are developed to describe axial velocity, centerline velocity, radial velocity, dynamic pressure, mass flux, momentum flux and buoyancy flux for both unheated (non-buoyant) and heated (buoyant) jet. Finally, the dynamics of the heated jet in terms of the plume function which is a universal quantity and the source parameter are studied and therefore the maximum velocity can be predicted theoretically. © 2010 Springer-Verlag.

  8. Effects of the confining solvent on the size distribution of silver NPs by laser ablation

    Energy Technology Data Exchange (ETDEWEB)

    Oseguera-Galindo, D. O., E-mail: david.omar0927@hotmail.com; Martinez-Benitez, A.; Chavez-Chavez, A.; Gomez-Rosas, G.; Perez-Centeno, A.; Santana-Aranda, M. A., E-mail: miguelangelsantana@gmail.com [CUCEI, Universidad de Guadalajara, Departamento de Fisica (Mexico)

    2012-09-15

    Laser ablation of a silver target confined in acetone, ethanol, methanol, propanol, and distilled water allowed us to obtain silver nanoparticles with different size distributions. We employed a pulsed Nd:YAG laser ({lambda} = 532 nm, 0.5 J/pulse) with a high fluence of 64 J/cm{sup 2} with a scanning density of 2,500 pulses/cm{sup 2}, having overlapping of consecutive pulses. The analysis of transmission electron micrographs showed that the smaller particle sizes were obtained confining the target in propanol, while the larger ones were obtained employing ethanol. Nanoparticle size distributions were fitted with two Gaussian peaks in all five cases, being the smaller sizes the most frequent. Predominant peaks were centered at 4.8 and 13.9 nm in propanol and ethanol, respectively, having a broader distribution for the nanoparticles obtained in ethanol. Furthermore, comparison of electron micrographs taken the day of synthesis and 4 and 9 months later in the case of water and propanol, respectively, shows that nanoparticle suspension is more stable in propanol.

  9. Water clusters in nonpolar cavities

    OpenAIRE

    Vaitheeswaran, Subramanian; Yin, Hao; Rasaiah, Jayendran C.; Hummer, Gerhard

    2004-01-01

    We explore the structure and thermodynamics of water clusters confined in nonpolar cavities. By calculating the grand-canonical partition function term by term, we show that small nonpolar cavities can be filled at equilibrium with highly structured water clusters. The structural and thermodynamic properties of these encapsulated water clusters are similar to those observed experimentally in the gas phase. Water filling is highly sensitive to the size of the cavity and the strength of the int...

  10. Multiphase flow in a confined geometry with Dissipative Particle Dynamics

    NARCIS (Netherlands)

    Visser, D.C.

    2015-01-01

    The research presented in this thesis is focused on the modelling of multiphase flow in a confined geometry with Dissipative Particle Dynamics (DPD). DPD is a particle-based mesoscopic simulation technique that obeys the Navier-Stokes equations and is particularly useful to model complex fluids and

  11. Electronic structure and lattice relaxations in quantum confined Pb films

    NARCIS (Netherlands)

    Mans, A.

    2005-01-01

    Epitaxial films that are only several atoms layers thick exhibit interesting properties associated with quantum confinement. The electrons form standing waves, just like a violin string, clamped at both ends. In ultrathin lead films, this so-called `quantum size effect' (QSE) alters the physical

  12. Enzymatic reactivity of glucose oxidase confined in nanochannels.

    Science.gov (United States)

    Yu, Jiachao; Zhang, Yuanjian; Liu, Songqin

    2014-05-15

    The construction of nanodevices coupled with an integrated real-time detection system for evaluation of the function of biomolecules in biological processes, and enzymatic reaction kinetics occurring at the confined space or interface is a significant challenge. In this work, a nanochannel-enzyme system in which the enzymatic reaction could be investigated with an electrochemical method was constructed. The model system was established by covalently linking glucose oxidase (GOD) onto the inner wall of the nanochannels of the porous anodic alumina (PAA) membrane. An Au disc was attached at the end of the nanochannels of the PAA membrane as the working electrode for detection of H2O2 product of enzymatic reaction. The effects of ionic strength, amount of immobilized enzyme and pore diameter of the nanochannels on the enzymatic reaction kinetics were illustrated. The GOD confined in nanochannels showed high stability and reactivity. Upon addition of glucose to the nanochannel-enzyme system, the current response had a calibration range span from 0.005 to 2 mM of glucose concentration. The apparent Michaelis-Menten constant (K(m)(app)) of GOD confined in nanochannel was 0.4 mM. The presented work provided a platform for real-time monitoring of the enzyme reaction kinetics confined in nanospaces. Such a nanochannel-enzyme system could also help design future biosensors and enzyme reactors with high sensitivity and efficiency. Copyright © 2013 Elsevier B.V. All rights reserved.

  13. DFT reactivity indices in confined many-electron atoms + ∫

    Indian Academy of Sciences (India)

    Unknown

    *For correspondence. DFT reactivity indices in confined many-electron atoms. JORGE GARZA1,*, RUBICELIA VARGAS1,*, NORBERTO AQUINO2 and K D SEN3. 1Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma. Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina ...

  14. solution of confined seepage problems below hydraulic structures ...

    African Journals Online (AJOL)

    user

    1985-09-01

    Sep 1, 1985 ... compared with those results obtained by exact solutions for the case of standard profiles like, horizontal floor with a central pile and floor with two piles. Finally using the optimum number of elements thus evolved, complicated boundary forms of hydraulic structures are considered for the solution of confined.

  15. Effects of Predamaged Level on Confined HSC Columns

    Directory of Open Access Journals (Sweden)

    Ma Chau-Khun

    2017-01-01

    Full Text Available In the design of repair works for damaged concrete, an accurate and representative stress-strain model is of important. The stress-strain model for damaged high strength concrete (HSC repaired with post-tensioning steel straps confinement yet available, although the confining method has been proven to be effective in improving the performance of non-damaged HSC. A series of experimental test was carried out to investigate the stress-strain relationships of such concrete. A total of 24 HSC cylinders were compressed until certain damaged levels, then repaired by using steel straps. Two important parameters have been identified to have significant effects on the stress-strain relationship of such repaired concrete, namely the confining volumetric ratio and damaged levels. These parameters were incorporated into the development of stressstrain model, which later was shown to correlate well with the experimental results. This paper also has evidenced that existing stressstrain models of damaged concrete are not suitable to be directly applied to the design of repair works using post-tensioning steel straps confinement that produce external lateral stress on damaged columns before subsequent loading applied.

  16. Variational Perturbation Treatment of the Confined Hydrogen Atom

    Science.gov (United States)

    Montgomery, H. E., Jr.

    2011-01-01

    The Schrodinger equation for the ground state of a hydrogen atom confined at the centre of an impenetrable cavity is treated using variational perturbation theory. Energies calculated from variational perturbation theory are comparable in accuracy to the results from a direct numerical solution. The goal of this exercise is to introduce the…

  17. The Confined Hydrogen Atom with a Moving Nucleus

    Science.gov (United States)

    Fernandez, Francisco M.

    2010-01-01

    We study the hydrogen atom confined to a spherical box with impenetrable walls but, unlike earlier pedagogical articles on the subject, we assume that the nucleus also moves. We obtain the ground-state energy approximately by means of first-order perturbation theory and show that it is greater than that for the case in which the nucleus is clamped…

  18. 8 CFR 236.2 - Confined aliens, incompetents, and minors.

    Science.gov (United States)

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Confined aliens, incompetents, and minors. 236.2 Section 236.2 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY IMMIGRATION REGULATIONS APPREHENSION AND DETENTION OF INADMISSIBLE AND DEPORTABLE ALIENS; REMOVAL OF ALIENS ORDERED REMOVED Detention...

  19. 8 CFR 1236.2 - Confined aliens, incompetents, and minors.

    Science.gov (United States)

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Confined aliens, incompetents, and minors. 1236.2 Section 1236.2 Aliens and Nationality EXECUTIVE OFFICE FOR IMMIGRATION REVIEW, DEPARTMENT OF JUSTICE IMMIGRATION REGULATIONS APPREHENSION AND DETENTION OF INADMISSIBLE AND DEPORTABLE ALIENS; REMOVAL...

  20. Acoustic confinement and Stimulated Brillouin Scattering in integrated optical waveguides

    CERN Document Server

    Poulton, Christopher G; Eggleton, Benjamin J

    2013-01-01

    We examine the effect of acoustic mode confinement on Stimulated Brillouin Scattering in optical waveguides that consist of a guiding core embedded in a solid substrate. We find that SBS can arise due to coupling to acoustic modes in three different regimes. First, the acoustic modes may be guided by total internal reflection; in this case the SBS gain depends directly on the degree of confinement of the acoustic mode in the core, which is in turn determined by the acoustic V-parameter. Second, the acoustic modes may be leaky, but may nevertheless have a sufficiently long lifetime to have a large effect on the SBS gain; the lifetime of acoustic modes in this regime depends not only on the contrast in acoustic properties between the core and the cladding, but is also highly dependent on the waveguide dimensions. Finally SBS may occur due to coupling to free modes, which exist even in the absence of acoustic confinement; we find that the cumulative effect of coupling to these non-confined modes results in signi...

  1. Diffusion of hydrocarbons in confined media: Translational and ...

    Indian Academy of Sciences (India)

    Diffusion of monatomic guest species within confined media has been understood to a good degree due to investigations carried out during the past decade and a half. Most guest species that are of industrial relevance are actually polyatomics such as, for example, hydrocarbons in zeolites. We attempt to investigate the ...

  2. Solution of Confined Seepage Problems below Hydraulic Structures ...

    African Journals Online (AJOL)

    Confined seepage problems below hydraulic structures using finite element method are investigated. The foundations are assumed to be infinite with homogeneous and isotropic conditions. Three different types of elements with varying mesh sizes are used for comparing the finite element results with those of exact ...

  3. Multiple-scale turbulence model in confined swirling jet predictions

    Science.gov (United States)

    Chen, C. P.

    1986-01-01

    A recently developed multiple-scale turbulence model which attempts to circumvent the deficiencies of earlier models by taking nonequilibrium spectral energy transfer into account is presented. The model's validity is tested by predicting the confined swirling coaxial jet flow in a sudden expansion. It is noted that, in order to account for anisotropic turbulence, a full Reynolds stress model is required.

  4. Imprinting of confining sites for cell cultures on thermoplastic substrates

    Science.gov (United States)

    Cone, C. D.; Fleenor, E. N.

    1969-01-01

    Prevention of test cell migration beyond the field of observation involves confining cells or cultures in microlagoons made in either a layer of grease or a thermoplastic substrate. Thermoplastic films or dishes are easily imprinted with specifically designed patterns of microlagoons.

  5. Electron-hole confinement symmetry in silicon quantum dots

    NARCIS (Netherlands)

    Müller, F.; Mueller, Filipp; Konstantaras, Georgios; Spruijtenburg, P.C.; van der Wiel, Wilfred Gerard; Zwanenburg, Floris Arnoud

    2015-01-01

    We report electrical transport measurements on a gate-defined ambipolar quantum dot in intrinsic silicon. The ambipolarity allows its operation as either an electron or a hole quantum dot of which we change the dot occupancy by 20 charge carriers in each regime. Electron−hole confinement symmetry is

  6. Hydrodynamic behavior of tumor cells in a confined model microvessel

    Science.gov (United States)

    Khan, Zeina S.; Vanapalli, Siva A.

    2012-02-01

    An important step in cancer metastasis is the hydrodynamic transport of circulating tumor cells (CTCs) through microvasculature. In vivo imaging studies in mice models show episodes of confined motion and trapping of tumor cells at microvessel bifurcations, suggesting that hydrodynamic phenomena are important processes regulating CTC dissemination. Our goal is to use microfluidics to understand the interplay between tumor cell rheology, confinement and fluid forces that may help to identify physical factors determining CTC transport. We use leukemia cells as model CTCs and mimic the in vivo setting by investigating their motion in a confined microchannel with an integrated microfluidic manometer to measure time variations in the excess pressure drop during cell motion. Using image analysis, variations in excess pressure drop, cell shape and cell velocity are simultaneously quantified. We find that the throughput of the technique is high enough ( 100 cells/min) to assess tumor cell heterogeneity. Therefore, in addition to measuring the hydrodynamic response of tumor cells in confined channels, our results indicate that the microfluidic manometer device could be used for rapid mechanical phenotyping of tumor cells.

  7. Quantification of the confinement effect in microporous materials.

    Science.gov (United States)

    García, Edder J; Pérez-Pellitero, Javier; Jallut, Christian; Pirngruber, Gerhard D

    2013-04-21

    The confinement effect plays a key role in physisorption in microporous materials and many other systems. Confinement is related to the relationship between the pore geometry (pore size and topology) and the geometry of the adsorbed molecule. Geometric properties of the porous solid can be described using the concepts of Gaussian and mean curvatures. In this work we show that the Gaussian and mean curvatures are suited descriptors for mathematically quantifying the confinement of small molecules in porous solids. A method to determine these geometric parameters on microporous materials is presented. The new methodology is based on the reconstruction of the solid's accessible surface. Then, a numerical calculation of the Gaussian and mean curvatures is carried out over the reconstructed mesh. On the one hand, we show that the local curvature can be used to identify the most favourable adsorption sites. On the other hand, the global mean curvature of the solid is correlated to the heat of adsorption of CO2 and CH4 on several zeolites and MOFs. A theoretical justification for this empirical correlation is provided. In conclusion, our methodology allows for a semi-quantitative estimation of confinement, applicable to any pore geometry, independent of the chemical composition, and without the need for applying a force field.

  8. Polymer mixtures in confined geometries: Model systems to explore ...

    Indian Academy of Sciences (India)

    While binary (A,B) symmetric polymer mixtures in = 3 dimensions have an unmixing critical point that belongs to the 3 Ising universality class and crosses over to mean field behavior for very long chains, the critical behavior of mixtures confined into thin film geometry falls in the 2 Ising class irrespective of chain length.

  9. A study of an advanced confined linear energy source

    Science.gov (United States)

    Anderson, M. C.; Heidemann, W. B.

    1971-01-01

    A literature survey and a test program to develop and evaluate an advanced confined linear energy source were conducted. The advanced confined linear energy source is an explosive or pyrotechnic X-Cord (mild detonating fuse) supported inside a confining tube capable of being hermetically sealed and retaining all products of combustion. The energy released by initiation of the X-Cord is transmitted through the support material to the walls of the confining tube causing an appreciable change in cross sectional configuration and expansion of the tube. When located in an assembly that can accept and use the energy of the tube expansion, useful work is accomplished through fracture of a structure, movement of a load, reposition of a pin, release of a restraint, or similar action. The tube assembly imparts that energy without release of debris or gases from the device itself. This facet of the function is important to the protection of men or equipment located in close proximity to the system during the time of function.

  10. Improved mechanical stability of HKUST-1 in confined nanospace.

    Science.gov (United States)

    Casco, M E; Fernández-Catalá, J; Martínez-Escandell, M; Rodríguez-Reinoso, F; Ramos-Fernández, E V; Silvestre-Albero, J

    2015-09-28

    One of the main concerns in the technological application of several metal-organic frameworks (MOFs) relates to their structural instability under pressure (after a conforming step). Here we report for the first time that mechanical instability can be highly improved via nucleation and growth of MOF nanocrystals in the confined nanospace of activated carbons.

  11. Confinement lowers fertility rate of helmeted guinea fowl ( Numida ...

    African Journals Online (AJOL)

    Guinea fowl is a common game bird in Africa and there have been efforts to domesticate it for use as a source of human food. An important obstacle in successful domestication of guinea fowl is their low fertility rate.We studied the effects of semi-confinement on the fertility rates of helmeted guinea fowl by comparing egg ...

  12. Confinement Spectroscopy: Probing Single DNA Molecules with Tapered Nanochannels

    DEFF Research Database (Denmark)

    Persson, Karl Fredrik; Utko, Pawel; Reisner, Walter

    2009-01-01

    We demonstrate a confinement spectroscopy technique capable of probing small conformational changes of unanchored single DNA molecules in a manner analogous to force spectroscopy, in the regime corresponding to femtonewton forces. In contrast to force spectroscopy, various structural forms of DNA...

  13. Boredom and Action—Experiences from Youth Confinement

    DEFF Research Database (Denmark)

    Bengtsson, Tea Torbenfeldt

    2012-01-01

    Few studies have examined boredom as a central experience of everyday life. This article adds to the boredom-related literature by examining the role of boredom and boredom-aversion in the everyday life of young people confined in secure care for young offenders. Data are primarily drawn from...

  14. Current barriers to confine high frequency common mode currents

    NARCIS (Netherlands)

    Moonen, Dominicus Johannes Guilielmus; Buesink, Frederik Johannes Karel; Leferink, Frank Bernardus Johannes

    2016-01-01

    A commercially produced three phase power line filter is submitted to a Current Barrier (CB) Electro-Magnetic Compatibility (EMC) zoning strategy as an attempt to confine high frequency common mode currents. The intent of the paper is not to show how to build a ’perfect’ filter, since this is known.

  15. Self-Assembly of Magnetic Colloids in Soft Confinement

    NARCIS (Netherlands)

    Liu, P.

    2016-01-01

    The central theme in this thesis is the effect of the soft confinements consisting of molecular microtubes and fluid interfaces, on the self-assembly of colloids. We have specially focused on the synthesis of magnetic colloids and the magnetic responses of self-assembled structures including

  16. Conditional electron confinement in graphene via smooth magnetic fields

    Science.gov (United States)

    Le, Dai-Nam; Le, Van-Hoang; Roy, Pinaki

    2018-02-01

    In this article we discuss confinement of electrons in graphene via smooth magnetic fields which are finite everywhere on the plane. We shall consider two types of magnetic fields leading to systems which are conditionally exactly solvable and quasi exactly solvable. The bound state energies and wavefunctions in both cases have been found exactly.

  17. Wigner time delay and spin-orbit activated confinement resonances

    Science.gov (United States)

    Keating, D. A.; Deshmukh, P. C.; Manson, S. T.

    2017-09-01

    A study of the photoionization of spin-orbit split subshells of high-Z atoms confined in C60 has been performed using the relativistic-random-phase approximation. Specifically, Hg@C60 5p, Rn@C60 6p and Ra@C60 5d were investigated and the near-threshold confinement resonances in the j = l - 1/2 channels were found to engender structures in the j = l + 1/2 cross sections via correlation in the form of interchannel coupling. These structures are termed spin-orbit induced confinement resonances and they are found to profoundly influence the Wigner time delay spectrum resulting in time delays of tens or hundreds of attoseconds along with dramatic swings in time delay over small energy intervals. Pronounced relativistic effects in time delay are also found. These structures, including their manifestation in time delay spectra, are expected to be general phenomena in the photoionization of spin-orbit doublets in confined high-Z atoms.

  18. Reactivity within a confined self-assembled nanospace

    NARCIS (Netherlands)

    Koblenz, T.S.; Wassenaar, J.; Reek, J.N.H.

    2008-01-01

    Confined nanospaces in which reactions can take place, have been created by various approaches such as molecular capsules, zeolites and micelles. In this tutorial review we focus on the application of self-assembled nanocapsules with well-defined cavities as nanoreactors for organic and metal

  19. Screening ventilation strategies for confined-space manure storage facilities.

    Science.gov (United States)

    Pesce, E P; Zhao, J; Manbeck, H B; Murphy, D J

    2008-07-01

    Fatalities associated with entry into on-farm confined-space manure storage facilities occur each year. The fatalities are due to asphyxiation or poisoning by exposure to high concentrations of hydrogen sulfide, methane, and carbon dioxide. Forced ventilation has been shown to be an effective way to reduce concentrations of noxious gases to levels that are safe for human entry into these storage facilities. Hydrogen sulfide (H2S) was used as an indicator gas to investigate the effectiveness of forced-air ventilation strategies for eliminating the toxic and oxygen-deficient atmosphere in confined-space manure storage facilities. This article focuses on experimental methods for identifying ventilation strategies that effectively reduce toxic gas (i.e., H2S) concentrations in a fan-ventilated confined-space manure tank to the OSHA permissible exposure limit (PEL) (H2S PEL = 10 ppm) and to 25% of the initial gas concentration. Typical H2S concentration reduction curves during forced-air ventilation were identified in the tank as well. Based on the experimental tests conducted in this research, the most promising candidate ventilation strategies were identified for this rectangular confined-space manure tank with solid, fully slotted, and partially slotted covers. In addition, based on the results of experimental tests, a field-based database was developed for future validation of computational fluid dynamics modeling protocols.

  20. Quantum confinement in Si and Ge nanostructures: Theory and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Barbagiovanni, Eric G., E-mail: santino.gasparo@gmail.com [Laboratory for Simulation of Physical Systems, Beijing Computational Science Research Centre, Beijing 100084 (China); Lockwood, David J. [National Research Council, Ottawa, Ontario K1A 0R6 (Canada); Simpson, Peter J.; Goncharova, Lyudmila V. [Department of Physics and Astronomy, University of Western Ontario, London, Ontario N6A 3K7 (Canada)

    2014-03-15

    The role of quantum confinement (QC) in Si and Ge nanostructures (NSs) including quantum dots, quantum wires, and quantum wells is assessed under a wide variety of fabrication methods in terms of both their structural and optical properties. Structural properties include interface states, defect states in a matrix material, and stress, all of which alter the electronic states and hence the measured optical properties. We demonstrate how variations in the fabrication method lead to differences in the NS properties, where the most relevant parameters for each type of fabrication method are highlighted. Si embedded in, or layered between, SiO{sub 2}, and the role of the sub-oxide interface states embodies much of the discussion. Other matrix materials include Si{sub 3}N{sub 4} and Al{sub 2}O{sub 3}. Si NSs exhibit a complicated optical spectrum, because the coupling between the interface states and the confined carriers manifests with varying magnitude depending on the dimension of confinement. Ge NSs do not produce well-defined luminescence due to confined carriers, because of the strong influence from oxygen vacancy defect states. Variations in Si and Ge NS properties are considered in terms of different theoretical models of QC (effective mass approximation, tight binding method, and pseudopotential method). For each theoretical model, we discuss the treatment of the relevant experimental parameters.