WorldWideScience

Sample records for supercooled liquid state

  1. Supercooled liquids for pedestrians

    Science.gov (United States)

    Cavagna, Andrea

    2009-06-01

    When we lower the temperature of a liquid, at some point we meet a first order phase transition to the crystal. Yet, under certain conditions it is possible to keep the system in its metastable phase and to avoid crystallization. In this way the liquid enters in the supercooled phase. Supercooled liquids have a very rich phenomenology, which is still far from being completely understood. To begin with, there is the problem of how to prevent crystallization and how deeply the liquid can be supercooled before a metastability limit is hit. But by far the most interesting feature of supercooled liquids is the dynamic glass transition: when the temperature is decreased below a certain point, the relaxation time increases so much that a dramatic dynamical arrest intervenes and we are unable to equilibrate the system within reasonable experimental times. The glass transition is a phenomenon whose physical origin has stirred an enormous interest in the last hundred years. Why does it occur? Is it just a conventional reference point, or does it have a more profound physical meaning? Is it a purely dynamical event, or the manifestation of a true thermodynamic transition? What is the correlation length associated to the sharp increase of the relaxation time? Can we define a new kind of amorphous order? A shared theory of supercooled liquids and the glass transition does not yet exist and these questions are still largely open. Here, I will illustrate in the most elementary fashion the main phenomenological traits of supercooled liquids and discuss in a very partial way a few theoretical ideas on the subject.

  2. Supercooled Liquids and Glasses

    OpenAIRE

    1999-01-01

    In these lectures, which were presented at "Soft and Fragile Matter, Nonequilibrium Dynamics, Metastability and Flow" University of St. Andrews, 8 July - 22 July, 1999, I give an introduction to the physics of supercooled liquids and glasses and discuss some computer simulations done to investigate these systems.

  3. Mechanical responses and stress fluctuations of a supercooled liquid in a sheared non-equilibrium state.

    Science.gov (United States)

    Mizuno, H; Yamamoto, R

    2012-04-01

    A steady shear flow can drive supercooled liquids into a non-equilibrium state. Using molecular dynamics simulations under steady shear flow superimposed with oscillatory shear strain for a probe, non-equilibrium mechanical responses are studied for a model supercooled liquid composed of binary soft spheres. We found that even in the strongly sheared situation, the supercooled liquid exhibits surprisingly isotropic responses to oscillating shear strains applied in three different components of the strain tensor. Based on this isotropic feature, we successfully constructed a simple two-mode Maxwell model that can capture the key features of the storage and loss moduli, even for highly non-equilibrium state. Furthermore, we examined the correlation functions of the shear stress fluctuations, which also exhibit isotropic relaxation behaviors in the sheared non-equilibrium situation. In contrast to the isotropic features, the supercooled liquid additionally demonstrates anisotropies in both its responses and its correlations to the shear stress fluctuations. Using the constitutive equation (a two-mode Maxwell model), we demonstrated that the anisotropic responses are caused by the coupling between the oscillating strain and the driving shear flow. Due to these anisotropic responses and fluctuations, the violation of the fluctuation-dissipation theorem (FDT) is distinct for different components. We measured the magnitude of this violation in terms of the effective temperature. It was demonstrated that the effective temperature is notably different between different components, which indicates that a simple scalar mapping, such as the concept of an effective temperature, oversimplifies the true nature of supercooled liquids under shear flow. An understanding of the mechanism of isotropies and anisotropies in the responses and fluctuations will lead to a better appreciation of these violations of the FDT, as well as certain consequent modifications to the concept of an

  4. Nature of the anomalies in the supercooled liquid state of the mW model of water

    CERN Document Server

    Holten, Vincent; Molinero, Valeria; Anisimov, Mikhail A

    2013-01-01

    The thermodynamic properties of the supercooled liquid state of the mW model of water show anomalous behavior. Like in real water, the heat capacity and compressibility sharply increase upon supercooling. One of the possible explanations of these anomalies, the existence of a second (liquid-liquid) critical point, is not supported by simulations for this particular model. In this work, we reproduce the anomalies of the mW model with two thermodynamic scenarios: one based on a non-ideal "mixture" with two different types of local order of the water molecules, and one based on weak crystallization theory. We show that both descriptions accurately reproduce the model's basic thermodynamic properties. However, the coupling constant required for fitting the power laws implied by weak crystallization theory is found not to be physically meaningful. For the two-state approach, the direct computation of the low-density fraction of molecules in the mW model is in agreement with the prediction of the phenomenological e...

  5. Strain Pattern in Supercooled Liquids

    Science.gov (United States)

    Illing, Bernd; Fritschi, Sebastian; Hajnal, David; Klix, Christian; Keim, Peter; Fuchs, Matthias

    2016-11-01

    Investigations of strain correlations at the glass transition reveal unexpected phenomena. The shear strain fluctuations show an Eshelby-strain pattern [˜cos (4 θ ) /r2 ], characteristic of elastic response, even in liquids, at long times. We address this using a mode-coupling theory for the strain fluctuations in supercooled liquids and data from both video microscopy of a two-dimensional colloidal glass former and simulations of Brownian hard disks. We show that the long-ranged and long-lived strain signatures follow a scaling law valid close to the glass transition. For large enough viscosities, the Eshelby-strain pattern is visible even on time scales longer than the structural relaxation time τ and after the shear modulus has relaxed to zero.

  6. Molecular dynamics investigation of dynamical heterogeneity and local structure in the supercooled liquid and glass states of Al

    Energy Technology Data Exchange (ETDEWEB)

    Li, M.; Wang, C. Z.; Mandelev, M.; Ho, K. M.

    2008-05-13

    Molecular dynamics simulations are performed to study the structure and dynamical heterogeneity in the liquid and glass states of Al using a frequently employed embedded atom potential. While the pair correlation function of the glass and liquid states displays only minor differences, the icosahedral short-range order (ISRO) and the dynamics of the two states are very different. The ISRO is much stronger in the glass than in the liquid. It is also found that both the most mobile and the most immobile atoms in the glass state tend to form clusters, and the clusters formed by the immobile atoms are more compact. In order to investigate the local environment of each atom in the liquid and glass states, a local density is defined to characterize the local atomic packing. There is a strong correlation between the local packing density and the mobility of the atoms. These results indicate that dynamical heterogeneity in glasses is directly correlated to the local structure. We also analyze the diffusion mechanisms of atoms in the liquid and glass states. It is found that for the mobile atoms in the glass state, initially they are confined in the cages formed by their nearest neighbors and vibrating. On the time scale of {beta} relaxation, the mobile atoms try to break up the cage confinement and hop into new cages. In the supercooled liquid states, however, atoms continuously diffuse. Furthermore, it is found that on the time scale of {beta} relaxation, some of the mobile atoms in the glass state cooperatively hop, which is facilitated by the stringlike cluster structures. On the longer time scale, it is found that a certain fraction of atoms can simultaneously hop, although they are not nearest neighbors. Further analysis shows that these hopping atoms form big and more compact clusters than the characterized most mobile atoms. The cooperative rearrangement of these big compact clusters might facilitate the simultaneous hopping of atoms in the glass states on the long

  7. Entropy-driven liquid-liquid separation in supercooled water

    OpenAIRE

    Holten, V.; Anisimov, M.A.

    2012-01-01

    Twenty years ago Poole et al. (Nature 360, 324, 1992) suggested that the anomalous properties of supercooled water may be caused by a critical point that terminates a line of liquid-liquid separation of lower-density and higher-density water. Here we present an explicit thermodynamic model based on this hypothesis, which describes all available experimental data for supercooled water with better quality and with fewer adjustable parameters than any other model suggested so far. Liquid water a...

  8. Entropy-driven liquid-liquid separation in supercooled water

    CERN Document Server

    Holten, V

    2012-01-01

    Twenty years ago Poole et al. (Nature 360, 324, 1992) suggested that the anomalous properties of supercooled water may be caused by a critical point that terminates a line of liquid-liquid separation of lower-density and higher-density water. Here we present an explicit thermodynamic model based on this hypothesis, which describes all available experimental data for supercooled water with better quality and with fewer adjustable parameters than any other model suggested so far. Liquid water at low temperatures is viewed as an 'athermal solution' of two molecular structures with different entropies and densities. Alternatively to popular models for water, in which the liquid-liquid separation is driven by energy, the phase separation in the athermal two-state water is driven by entropy upon increasing the pressure, while the critical temperature is defined by the 'reaction' equilibrium constant. In particular, the model predicts the location of density maxima at the locus of a near-constant fraction (about 0.1...

  9. Thermodynamic scaling of molecular dynamics in supercooled liquid state of pharmaceuticals: Itraconazole and ketoconazole.

    Science.gov (United States)

    Tarnacka, M; Madejczyk, O; Adrjanowicz, K; Pionteck, J; Kaminska, E; Kamiński, K; Paluch, M

    2015-06-14

    Pressure-Volume-Temperature (PVT) measurements and broadband dielectric spectroscopy were carried out to investigate molecular dynamics and to test the validity of thermodynamic scaling of two homologous compounds of pharmaceutical activity: itraconazole and ketoconazole in the wide range of thermodynamic conditions. The pressure coefficients of the glass transition temperature (dT(g)/dp) for itraconazole and ketoconazole were determined to be equal to 183 and 228 K/GPa, respectively. However, for itraconazole, the additional transition to the nematic phase was observed and characterized by the pressure coefficient dT(n)/dp = 258 K/GPa. From PVT and dielectric data, we obtained that the liquid-nematic phase transition is governed by the relaxation time since it occurred at constant τ(α) = 10(-5) s. Furthermore, we plotted the obtained relaxation times as a function of T(-1)v(-γ), which has revealed that the validity of thermodynamic scaling with the γ exponent equals to 3.69 ± 0.04 and 3.64 ± 0.03 for itraconazole and ketoconazole, respectively. Further analysis of the scaling parameter in itraconazole revealed that it unexpectedly decreases with increasing relaxation time, which resulted in dramatic change of the shape of the thermodynamic scaling master curve. While in the case of ketoconazole, it remained the same within entire range of data (within experimental uncertainty). We suppose that in case of itraconazole, this peculiar behavior is related to the liquid crystals' properties of itraconazole molecule.

  10. Thermodynamic scaling of molecular dynamics in supercooled liquid state of pharmaceuticals: Itraconazole and ketoconazole

    Energy Technology Data Exchange (ETDEWEB)

    Tarnacka, M., E-mail: mtarnacka@us.edu.pl; Madejczyk, O.; Kamiński, K.; Paluch, M. [Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Silesian Center of Education and Interdisciplinary Research, University of Silesia, ul. 75 Pulku Piechoty 1A, 41-500 Chorzow (Poland); Adrjanowicz, K. [NanoBioMedical Centre, ul. Umultowska 85, 61-614 Poznan (Poland); Pionteck, J. [Leibniz Institute of Polymer Research Dresden, Hohe Strasse 6, D-01069 Dresden (Germany); Kaminska, E. [Department of Pharmacognosy and Phytochemistry, School of Pharmacy and Division of Laboratory Medicine in Sosnowiec, Medical University of Silesia, ul. Jagiellonska 4, 41-200 Sosnowiec (Poland)

    2015-06-14

    Pressure-Volume-Temperature (PVT) measurements and broadband dielectric spectroscopy were carried out to investigate molecular dynamics and to test the validity of thermodynamic scaling of two homologous compounds of pharmaceutical activity: itraconazole and ketoconazole in the wide range of thermodynamic conditions. The pressure coefficients of the glass transition temperature (dT{sub g}/dp) for itraconazole and ketoconazole were determined to be equal to 183 and 228 K/GPa, respectively. However, for itraconazole, the additional transition to the nematic phase was observed and characterized by the pressure coefficient dT{sub n}/dp = 258 K/GPa. From PVT and dielectric data, we obtained that the liquid-nematic phase transition is governed by the relaxation time since it occurred at constant τ {sub α} = 10{sup −5} s. Furthermore, we plotted the obtained relaxation times as a function of T{sup −1}v{sup −γ}, which has revealed that the validity of thermodynamic scaling with the γ exponent equals to 3.69 ± 0.04 and 3.64 ± 0.03 for itraconazole and ketoconazole, respectively. Further analysis of the scaling parameter in itraconazole revealed that it unexpectedly decreases with increasing relaxation time, which resulted in dramatic change of the shape of the thermodynamic scaling master curve. While in the case of ketoconazole, it remained the same within entire range of data (within experimental uncertainty). We suppose that in case of itraconazole, this peculiar behavior is related to the liquid crystals’ properties of itraconazole molecule.

  11. Shear-accelerated crystallization in a supercooled atomic liquid.

    Science.gov (United States)

    Shao, Zhen; Singer, Jonathan P; Liu, Yanhui; Liu, Ze; Li, Huiping; Gopinadhan, Manesh; O'Hern, Corey S; Schroers, Jan; Osuji, Chinedum O

    2015-02-01

    A bulk metallic glass forming alloy is subjected to shear flow in its supercooled state by compression of a short rod to produce a flat disk. The resulting material exhibits enhanced crystallization kinetics during isothermal annealing as reflected in the decrease of the crystallization time relative to the nondeformed case. The transition from quiescent to shear-accelerated crystallization is linked to strain accumulated during shear flow above a critical shear rate γ̇(c)≈0.3 s(-1) which corresponds to Péclet number, Pe∼O(1). The observation of shear-accelerated crystallization in an atomic system at modest shear rates is uncommon. It is made possible here by the substantial viscosity of the supercooled liquid which increases strongly with temperature in the approach to the glass transition. We may therefore anticipate the encounter of nontrivial shear-related effects during thermoplastic deformation of similar systems.

  12. Polarized View of Supercooled Liquid Water Clouds

    Science.gov (United States)

    Alexandrov, Mikhail D.; Cairns, Brian; Van Diedenhoven, Bastiaan; Ackerman, Andrew S.; Wasilewski, Andrzej P.; McGill, Matthew J.; Yorks, John E.; Hlavka, Dennis L.; Platnick, Steven E.; Arnold, G. Thomas

    2016-01-01

    Supercooled liquid water (SLW) clouds, where liquid droplets exist at temperatures below 0 C present a well known aviation hazard through aircraft icing, in which SLW accretes on the airframe. SLW clouds are common over the Southern Ocean, and climate-induced changes in their occurrence is thought to constitute a strong cloud feedback on global climate. The two recent NASA field campaigns POlarimeter Definition EXperiment (PODEX, based in Palmdale, California, January-February 2013) and Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS, based in Houston, Texas in August- September 2013) provided a unique opportunity to observe SLW clouds from the high-altitude airborne platform of NASA's ER-2 aircraft. We present an analysis of measurements made by the Research Scanning Polarimeter (RSP) during these experiments accompanied by correlative retrievals from other sensors. The RSP measures both polarized and total reflectance in 9 spectral channels with wavelengths ranging from 410 to 2250 nm. It is a scanning sensor taking samples at 0.8deg intervals within 60deg from nadir in both forward and backward directions. This unique angular resolution allows for characterization of liquid water droplet size using the rainbow structure observed in the polarized reflectances in the scattering angle range between 135deg and 165deg. Simple parametric fitting algorithms applied to the polarized reflectance provide retrievals of the droplet effective radius and variance assuming a prescribed size distribution shape (gamma distribution). In addition to this, we use a non-parametric method, Rainbow Fourier Transform (RFT),which allows retrieval of the droplet size distribution without assuming a size distribution shape. We present an overview of the RSP campaign datasets available from the NASA GISS website, as well as two detailed examples of the retrievals. In these case studies we focus on cloud fields with spatial features

  13. Polarized View of Supercooled Liquid Water Clouds

    Science.gov (United States)

    Alexandrov, Mikhail D.; Cairns, Brian; Van Diedenhoven, Bastiaan; Ackerman, Andrew S.; Wasilewski, Andrzej P.; McGill, Matthew J.; Yorks, John E.; Hlavka, Dennis L.; Platnick, Steven E.; Arnold, G. Thomas

    2016-01-01

    Supercooled liquid water (SLW) clouds, where liquid droplets exist at temperatures below 0 C present a well known aviation hazard through aircraft icing, in which SLW accretes on the airframe. SLW clouds are common over the Southern Ocean, and climate-induced changes in their occurrence is thought to constitute a strong cloud feedback on global climate. The two recent NASA field campaigns POlarimeter Definition EXperiment (PODEX, based in Palmdale, California, January-February 2013) and Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS, based in Houston, Texas in August- September 2013) provided a unique opportunity to observe SLW clouds from the high-altitude airborne platform of NASA's ER-2 aircraft. We present an analysis of measurements made by the Research Scanning Polarimeter (RSP) during these experiments accompanied by correlative retrievals from other sensors. The RSP measures both polarized and total reflectance in 9 spectral channels with wavelengths ranging from 410 to 2250 nm. It is a scanning sensor taking samples at 0.8deg intervals within 60deg from nadir in both forward and backward directions. This unique angular resolution allows for characterization of liquid water droplet size using the rainbow structure observed in the polarized reflectances in the scattering angle range between 135deg and 165deg. Simple parametric fitting algorithms applied to the polarized reflectance provide retrievals of the droplet effective radius and variance assuming a prescribed size distribution shape (gamma distribution). In addition to this, we use a non-parametric method, Rainbow Fourier Transform (RFT),which allows retrieval of the droplet size distribution without assuming a size distribution shape. We present an overview of the RSP campaign datasets available from the NASA GISS website, as well as two detailed examples of the retrievals. In these case studies we focus on cloud fields with spatial features

  14. Electrostatic levitation studies of supercooled liquids and metastable solid phases

    Science.gov (United States)

    Rustan, Gustav Errol

    A new laboratory has been developed at Iowa State University (ISU) to be used for the study of high temperature liquids and solids, with particular focus on the supercooling of liquids and their metastable solidification products. This new laboratory employs the electrostatic levitation (ESL) technique, in which a charged sample is suspended between a set of electrodes to achieve non-contact handling. Owing to the elimination of a crucible, high temperature processing of samples can be achieved with reduced levels of contamination and heterogeneous nucleation. Because of the reduction in heterogeneous nucleation, samples can be supercooled well below their equilibrium melting temperature, opening the door to a wide range of measurements on supercooled liquids. Measurements methods have been implemented for the characterization of thermophysical properties such as: volume/density, ratio of specific heat to total hemispherical emissivity, surface tension, viscosity, electrical resistivity, and magnetic susceptibility. For measurements of electrical resistivity and magnetic susceptibility, a new method has been developed at ISU based on the tunnel diode oscillator (TDO) technique. The TDO technique uses the negative differential resistance of a tunnel diode to drive an LC tank circuit into self-sustained oscillation at the resonant LC frequency. The LC tank is inductively coupled to the samples under study, and changes in the electrical resistivity or magnetic susceptibility of the sample are manifested as changes in the resonant frequency. By measuring the frequency shifts of the TDO, insights can be made into changes in the material's electrical and magnetic properties. This method has been validated by performing resistivity measurements on a sample of high purity Zr, and by performing measurements on the ferromagnetic transition in a low-carbon steel ball bearing. In addition to the development of the laboratory and its supporting instrumentation, an effort has

  15. Experimental evidence for supercooled brines, viscous liquids, and low temperature perchlorate glasses on Mars

    Science.gov (United States)

    Toner, J.; Catling, D. C.; Light, B.

    2013-12-01

    The presence of liquid water on the cold and dry surface of Mars is possible where concentrated salt solutions lower the freezing point of water. The eutectic temperature is the maximum equilibrium freezing point depression possible for a given salt solution, which ranges from near 0°C for carbonates and sulfates, to as low as -75°C for perchlorates. Although eutectic temperatures suggest a lower temperature limit for liquid water on Mars, salt solutions will typically supercool below their eutectic before crystallization occurs. We report on results investigating the magnitude of supercooling and its variation with salt composition and concentration for pure salt solutions and saturated soil solutions of MgSO4, MgCl2, NaCl, NaClO4, Mg(ClO4)2, and Ca(ClO4)2. We measured supercooling by monitoring solution temperatures during slow cooling and warming experiments. Our results indicate that supercooling is pervasive. Slowly cooled MgSO4, MgCl2, NaCl, and NaClO4 solutions typically supercool 5-15°C below their eutectic temperature before crystallizing. The addition of soil to these salt solutions has a variable effect on supercooling. Relative to the pure salt solutions, supercooling decreases in MgSO4 soil solutions, increases in MgCl2 soil solutions, and is similar in NaCl and NaClO4 soil solutions. Supercooling in MgSO4, MgCl2, NaCl, and NaClO4 solutions could marginally extend the duration of liquid water during relatively warm daytime temperatures in the Martian summer. Remarkably, we found that Mg(ClO4)2 and Ca(ClO4)2 solutions never crystallize during slow cooling, but remain in a supercooled, liquid state until forming an amorphous glass near -120°C. Even if soil is added to the solutions, which will induce crystallization in most salt solutions, a glass still forms during cooling. The large supercooling effect in Mg(ClO4)2 and Ca(ClO4)2 solutions has the potential to prevent water from freezing over diurnal and possibly annual cycles on Mars. Glasses are

  16. Hopping in a supercooled binary Lennard-Jones liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    1998-01-01

    A binary Lennard–Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function...

  17. Entropy calculations for a supercooled liquid crystalline blue phase

    Energy Technology Data Exchange (ETDEWEB)

    Singh, U [Physics Department, University of the West Indies, PO Box 64, Bridgetown (Barbados)

    2007-01-15

    We observed, using polarized light microscopy, the supercooling of the blue phase (BPI) of cholesteryl proprionate and measured the corresponding liquid crystalline phase transition temperatures. From these temperatures and additional published data we have provided, for the benefit of undergraduate physics students, a nontraditional example involving entropy calculations for an irreversible transition.

  18. On the potential energy landscape of supercooled liquids and glasses

    DEFF Research Database (Denmark)

    Rodney, D.; Schrøder, Thomas

    2011-01-01

    The activation-relaxation technique (ART), a saddle-point search method, is applied to determine the potential energy landscape around supercooled and glassy configurations of a three-dimensional binary Lennard-Jones system. We show a strong relation between the distribution of activation energies...... around a given glassy configuration and its history, in particular, the cooling rate used to produce the glass and whether or not the glass was plastically deformed prior to sampling. We also compare the thermally activated transitions found by ART around a supercooled configuration with the succession...... of transitions undergone by the same supercooled liquid during a time trajectory simulated by molecular dynamics. We find that ART is biased towards more heterogeneous transitions with higher activation energies and more broken bonds than the MD simulation....

  19. Mixing effects in the crystallization of supercooled quantum binary liquids

    Energy Technology Data Exchange (ETDEWEB)

    Kühnel, M.; Kalinin, A. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); Fernández, J. M.; Tejeda, G.; Moreno, E.; Montero, S. [Laboratory of Molecular Fluid Dynamics, Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid (Spain); Tramonto, F.; Galli, D. E. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Nava, M. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano (Switzerland); Grisenti, R. E. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); GSI - Helmholtzzentrum für Schwerionenforschung, Planckstr. 1, 64291 Darmstadt (Germany)

    2015-08-14

    By means of Raman spectroscopy of liquid microjets, we have investigated the crystallization process of supercooled quantum liquid mixtures composed of parahydrogen (pH{sub 2}) or orthodeuterium (oD{sub 2}) diluted with small amounts of neon. We show that the introduction of the Ne impurities affects the crystallization kinetics in terms of a significant reduction of the measured pH{sub 2} and oD{sub 2} crystal growth rates, similarly to what found in our previous work on supercooled pH{sub 2}-oD{sub 2} liquid mixtures [Kühnel et al., Phys. Rev. B 89, 180201(R) (2014)]. Our experimental results, in combination with path-integral simulations of the supercooled liquid mixtures, suggest in particular a correlation between the measured growth rates and the ratio of the effective particle sizes originating from quantum delocalization effects. We further show that the crystalline structure of the mixtures is also affected to a large extent by the presence of the Ne impurities, which likely initiate the freezing process through the formation of Ne-rich crystallites.

  20. Liquid Supercoolability and Synthesis Kinetics of Quinary Refractory High-entropy Alloy

    Science.gov (United States)

    Wang, W. L.; Hu, L.; Yang, S. J.; Wang, A.; Wang, L.; Wei, B.

    2016-11-01

    The high-entropy configuration of equiatomic multicomponent alloys opens an effective access to the development of advanced materials. Here we report the synthesis of a new quinary refractory WMoTaNbZr high-entropy alloy under electrostatic levitation condition. It showed a high liquidus temperature of 2686 K and achieved a maximum supercooling of 640 K (0.24 TL) at molten state. The containerless measurements revealed a linear increasing tendency for both its liquid state density and the specific heat to emissivity ratio versus alloy supercooling. A high-entropy body-centered cubic (HEB) phase dominated its phase constitution despite the formation of a negligible amount of solid solution (Zr) phase. The dendritic growth of HEB phase always governed the crystallization process, attained a fastest growth velocity of 13.5 m/s and displayed a power function relation to alloy supercooling. The high speed videographic research of recalescence phenomenon indicated Johnson-Mehl-Avrami type transition kinetics for its rapid solidification process. As supercooling increases, the microstructures of primary HEB phase were refined conspicuously and exhibited an obvious solute trapping effect of the segregative Zr component. Meanwhile, the Vickers hardness of HEB phase displayed the rising tendency with supercooling.

  1. Molecular Relaxations in Supercooled Liquid and Glassy States of Amorphous Quinidine: Dielectric Spectroscopy and Density Functional Theory Approaches.

    Science.gov (United States)

    Schammé, Benjamin; Mignot, Mélanie; Couvrat, Nicolas; Tognetti, Vincent; Joubert, Laurent; Dupray, Valérie; Delbreilh, Laurent; Dargent, Eric; Coquerel, Gérard

    2016-08-04

    In this article, we conduct a comprehensive molecular relaxation study of amorphous Quinidine above and below the glass-transition temperature (Tg) through broadband dielectric relaxation spectroscopy (BDS) experiments and theoretical density functional theory (DFT) calculations, as one major issue with the amorphous state of pharmaceuticals is life expectancy. These techniques enabled us to determine what kind of molecular motions are responsible, or not, for the devitrification of Quinidine. Parameters describing the complex molecular dynamics of amorphous Quinidine, such as Tg, the width of the α relaxation (βKWW), the temperature dependence of α-relaxation times (τα), the fragility index (m), and the apparent activation energy of secondary γ relaxation (Ea-γ), were characterized. Above Tg (> 60 °C), a medium degree of nonexponentiality (βKWW = 0.5) was evidenced. An intermediate value of the fragility index (m = 86) enabled us to consider Quinidine as a glass former of medium fragility. Below Tg (origin coming from the rotation of the CH(OH)C9H14N end group. An excess wing observed in amorphous Quinidine was found to be an unresolved Johari-Goldstein relaxation. These studies were supplemented by sub-Tg experimental evaluations of the life expectancy of amorphous Quinidine by X-ray powder diffraction and differential scanning calorimetry. We show that the difference between Tg and the onset temperature for crystallization, Tc, which is 30 K, is sufficiently large to avoid recrystallization of amorphous Quinidine during 16 months of storage under ambient conditions.

  2. Pressure Induced Liquid-to-Liquid Transition in Zr-based Supercooled Melts and Pressure Quenched Glasses

    Energy Technology Data Exchange (ETDEWEB)

    Dmowski, W.; Gierlotka, S.; Wang, Z.; Yokoyama, Y.; Palosz, B.; Egami, T.

    2017-07-26

    Through high-energy x-ray diffraction and atomic pair density function analysis we find that Zr-based metallic alloy, heated to the supercooled liquid state under hydrostatic pressure and then quenched to room temperature, exhibits a distinct glassy structure. The PDF indicates that the Zr-Zr distances in this glass are significantly reduced compared to those quenched without pressure. Annealing at the glass transition temperature at ambient pressure reverses structural changes and the initial glassy state is recovered. This result suggests that pressure causes a liquid-to-liquid phase transition in this metallic alloy supercooled melt. Such a pressure induced transition is known for covalent liquids, but has not been observed for metallic liquids. The High Pressure Quenched glasses are stable in ambient conditions after decompression.

  3. Hopping in a supercooled binary Lennard-Jones liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    1998-01-01

    A binary Lennard–Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function....... To examine the dynamics of the system, we consider transitions between the inherent structures (local minima in the potential energy) along the trajectory. We conclude that the plateau in the mean square displacement found at lower temperatures is indeed a result of particles being trapped in local "cages...

  4. Real-time observation of the isothermal crystallization kinetics in a deeply supercooled liquid

    Science.gov (United States)

    Zanatta, M.; Cormier, L.; Hennet, L.; Petrillo, C.; Sacchetti, F.

    2017-01-01

    Below the melting temperature Tm, crystals are the stable phase of typical elemental or molecular systems. However, cooling down a liquid below Tm, crystallization is anything but inevitable. The liquid can be supercooled, eventually forming a glass below the glass transition temperature Tg. Despite their long lifetimes and the presence of strong barriers that produces an apparent stability, supercooled liquids and glasses remain intrinsically a metastable state and thermodynamically unstable towards the crystal. Here we investigated the isothermal crystallization kinetics of the prototypical strong glassformer GeO2 in the deep supercooled liquid at 1100 K, about half-way between Tm and Tg. The crystallization process has been observed through time-resolved neutron diffraction for about three days. Data show a continuous reorganization of the amorphous structure towards the alpha-quartz phase with the final material composed by crystalline domains plunged into a low-density, residual amorphous matrix. A quantitative analysis of the diffraction patterns allows determining the time evolution of the relative fractions of crystal and amorphous, that was interpreted through an empirical model for the crystallization kinetics. This approach provides a very good description of the experimental data and identifies a predator-prey-like mechanism between crystal and amorphous, where the density variation acts as a blocking barrier. PMID:28255173

  5. Fluctuations and Linear Response in Supercooled Liquids

    DEFF Research Database (Denmark)

    Nielsen, Johannes K.

    Fluctuation dissipation theorems are derived for thermodynamic properties like frequency dependent specific heat and compressibility. First the case where a systems dynamics are restricted by constant volume and energy is considered. The dynamic linear response to a heat pulse and a volume change...... at time zero is calculated, under assumption of energy conservation. Then the case of isothermal isobaric conditions are treated by a slight modification of ordinary linear response theory. In both cases the perturbation cannot be stated through the Hamiltonian, but has to be imposed by variation...... of the external thermodynamic system parameters. In thermodynamic response theory equivalence between ensembles is broken, but time correlation functions sampled in different ensembles are connected through the Maxwell relations of thermodynamics generalized to the frequency domain. Different applications...

  6. Behavior of Supercooled Aqueous Solutions Stemming from Hidden Liquid-Liquid Transition in Water

    OpenAIRE

    Biddle, John W.; Holten, Vincent; Anisimov, Mikhail A.

    2014-01-01

    A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid-liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid-liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two...

  7. The formation of supercooled brines, viscous liquids, and low-temperature perchlorate glasses in aqueous solutions relevant to Mars

    Science.gov (United States)

    Toner, J. D.; Catling, D. C.; Light, B.

    2014-05-01

    Salt solutions on Mars can stabilize liquid water at low temperatures by lowering the freezing point of water. The maximum equilibrium freezing-point depression possible, known as the eutectic temperature, suggests a lower temperature limit for liquid water on Mars; however, salt solutions can supercool below their eutectic before crystallization occurs. To investigate the magnitude of supercooling and its variation with salt composition and concentration, we performed slow cooling and warming experiments on pure salt solutions and saturated soil-solutions of MgSO4, MgCl2, NaCl, NaClO4, Mg(ClO4)2, and Ca(ClO4)2. By monitoring solution temperatures, we identified exothermic crystallization events and determined the composition of precipitated phases from the eutectic melting temperature. Our results indicate that supercooling is pervasive. In general, supercooling is greater in more concentrated solutions and with salts of Ca and Mg. Slowly cooled MgSO4, MgCl2, NaCl, and NaClO4 solutions investigated in this study typically supercool 5-15 °C below their eutectic temperature before crystallizing. The addition of soil to these salt solutions has a variable effect on supercooling. Relative to the pure salt solutions, supercooling decreases in MgSO4 soil-solutions, increases in MgCl2 soil-solutions, and is similar in NaCl and NaClO4 soil-solutions. Supercooling in MgSO4, MgCl2, NaCl, and NaClO4 solutions could marginally extend the duration of liquid water during relatively warm daytime temperatures in the martian summer. In contrast, we find that Mg(ClO4)2 and Ca(ClO4)2 solutions do not crystallize during slow cooling, but remain in a supercooled, liquid state until forming an amorphous glass near -120 °C. Even if soil is added to the solutions, a glass still forms during cooling. The large supercooling effect in Mg(ClO4)2 and Ca(ClO4)2 solutions has the potential to prevent water from freezing over diurnal and possibly annual cycles on Mars. Glasses are also

  8. Elastic properties of Pd40Cu30Ni10P20 bulk glass in supercooled liquid region

    DEFF Research Database (Denmark)

    Nishiyama, N.; Inoue, A.; Jiang, Jianzhong

    2001-01-01

    In situ ultrasonic measurements for the Pd40Cu30Ni10P20 bulk glass in three states: Glassy solid, supercooled liquid, and crystalline, have been performed. It is found that velocities of both longitudinal and transverse waves and elastic moduli (shear modulus, bulk modulus, Young's modulus, and L...

  9. A phase space approach to supercooled liquids and a universal collapse of their viscosity

    CERN Document Server

    Weingartner, Nicholas B; Nogueira, Flavio S; Kelton, K F; Nussinov, Zohar

    2016-01-01

    A broad fundamental understanding of the mechanisms underlying the phenomenology of supercooled liquids has remained elusive, despite decades of intense exploration. When supercooled beneath its characteristic melting temperature, a liquid sees a sharp rise in its viscosity over a narrow temperature range, eventually becoming frozen on laboratory timescales. Explaining this immense increase in viscosity is one of the principle goals of condensed matter physicists. To that end, numerous theoretical frameworks have been proposed which explain and reproduce the temperature dependence of the viscosity of supercooled liquids. Each of these frameworks appears only applicable to specific classes of glassformers and each possess a number of variable parameters. Here we describe a classical framework for explaining the dynamical behavior of supercooled liquids based on statistical mechanical considerations, and possessing only a single variable parameter. This parameter varies weakly from liquid to liquid. Furthermore...

  10. Dynamical Instability Causes the Demise of a Supercooled Tetrahedral Liquid

    Science.gov (United States)

    Gautam, Arvind Kumar; Pingua, Nandlal; Goyal, Aashish; Apte, Pankaj A.

    2017-09-01

    We investigate the relaxation mechanism of a supercooled tetrahedral liquid at its limit of stability using isothermal isobaric ( NPT) Monte Carlo simulations. In similarity with systems which are far from equilibrium but near the onset of jamming (O'Hern et al. in Phys Rev Lett 93:165702, 2004), we find that the relaxation is characterized by two time-scales: the decay of long-wavelength (slow) fluctuations of potential energy is controlled by the slope [partial (G/N)/partial φ ] of the Gibbs free energy ( G) at a unique value of per particle potential energy φ = φ _{{\\tiny mid}}. The short-wavelength (fast) fluctuations are controlled by the bath temperature T. The relaxation of the supercooled liquid is initiated with a dynamical crossover after which the potential energy fluctuations are biased towards values progressively lesser than φ _{{\\tiny mid}}. The dynamical crossover leads to the change of time-scale, i.e., the decay of long-wavelength potential energy fluctuations (intermediate stage of relaxation). Because of the condition [partial ^2 (G/N)/partial φ ^2 = 0] at φ = φ _{{\\tiny mid}}, the slope [partial (G/N)/partial φ ] has a unique value and governs the intermediate stage of relaxation, which ends just after the crossover. In the subsequent stage, there is a relatively rapid crystallization due to lack of long-wavelength fluctuations and the instability at φ _{{\\tiny mid}}, i.e., the condition that G decreases as configurations with potential energies lower than φ _{{\\tiny mid}} are accessed. The dynamical crossover point and the associated change in the time-scale of fluctuations is found to be consistent with the previous studies.

  11. Liquid-liquid coexistence and crystallization in supercooled ST2 water

    Science.gov (United States)

    Martelli, Fausto; Palmer, Jeremy; Debenedetti, Pablo; Car, Roberto

    2014-03-01

    We have computed the free energy landscape of ST2 water in the supercooled regime (228.6 K and 2.4 kbar) using several state-of-the-art computational techniques, including umbrella sampling and metadynamics. Such results conclusively demonstrate coexistence between two liquid phases, a high-density liquid (HDL) and a low-density liquid (HDL), which are metastable with respect to cubic ice. We show that the three phases have distinct structural features characterized by the local structure index and ring statistics. We also find that ice nucleation, should it occur, does so from the low-density liquid. Interestingly, we find that the number of 6-member rings increases monotonically along the path from HDL to LDL, while non-monotonic behavior is observed near the saddle point along the LDL-ice Ic path. This behavior indicates a complex re-arrangement of the H-bond network, followed by progressive crystallization. DOE: DE-SC0008626 (F. M. and R.C.)

  12. Optical Kerr effect of liquid and supercooled water: The experimental and data analysis perspective

    Science.gov (United States)

    Taschin, A.; Bartolini, P.; Eramo, R.; Righini, R.; Torre, R.

    2014-08-01

    The time-resolved optical Kerr effect spectroscopy (OKE) is a powerful experimental tool enabling accurate investigations of the dynamic phenomena in molecular liquids. We introduced innovative experimental and fitting procedures, that enable a safe deconvolution of sample response function from the instrumental function. This is a critical issue in order to measure the dynamics of liquid water. We report OKE data on water measuring intermolecular vibrations and the structural relaxation processes in an extended temperature range, inclusive of the supercooled states. The unpreceded data quality makes possible a solid comparison with few theoretical models: the multi-mode Brownian oscillator model, the Kubo's discrete random jump model, and the schematic mode-coupling model. All these models produce reasonable good fits of the OKE data of stable liquid water, i.e., over the freezing point. The features of water dynamics in the OKE data becomes unambiguous only at lower temperatures, i.e., for water in the metastable supercooled phase. We found that the schematic mode-coupling model provides the more rigorous and complete model for water dynamics, even if its intrinsic hydrodynamic approach does not give a direct access to the molecular information.

  13. Using Peltier cells to study solid-liquid-vapour transitions and supercooling

    Energy Technology Data Exchange (ETDEWEB)

    Torzo, Giacomo [ICIS-CNR and Physics Department of Padova University, Padova (Italy); Soletta, Isabella [Liceo Scientifico Fermi, Alghero (Italy); Branca, Mario [Chemical Department of Sassari University, Sassari (Italy)

    2007-05-15

    We propose an apparatus for teaching experimental thermodynamics in undergraduate introductory courses, using thermoelectric modules and a real-time data acquisition system. The device may be made at low cost, still providing an easy approach to the investigation of liquid-solid and liquid-vapour phase transitions and of metastable states (supercooling). The thermoelectric module (a technological evolution of the thermocouple) is by itself an interesting subject that offers a clear example of both thermo-electric (Seebeck effect) and electro-thermal (Peltier effect) energy transformation. We report here some cooling/heating measurements for several liquids and mixtures, including water, salt/water, ethanol/water and sodium acetate, showing how to evaluate the phenomena of freezing point depression and elevation, and how to evaluate the water latent heat.

  14. Using Peltier cells to study solid liquid vapour transitions and supercooling

    Science.gov (United States)

    Torzo, Giacomo; Soletta, Isabella; Branca, Mario

    2007-05-01

    We propose an apparatus for teaching experimental thermodynamics in undergraduate introductory courses, using thermoelectric modules and a real-time data acquisition system. The device may be made at low cost, still providing an easy approach to the investigation of liquid solid and liquid vapour phase transitions and of metastable states (supercooling). The thermoelectric module (a technological evolution of the thermocouple) is by itself an interesting subject that offers a clear example of both thermo-electric (Seebeck effect) and electro-thermal (Peltier effect) energy transformation. We report here some cooling/heating measurements for several liquids and mixtures, including water, salt/water, ethanol/water and sodium acetate, showing how to evaluate the phenomena of freezing point depression and elevation, and how to evaluate the water latent heat.

  15. Spatiotemporal heterogeneity of local free volumes in highly supercooled liquid

    Science.gov (United States)

    Shiba, Hayato; Kawasaki, Takeshi

    2013-11-01

    We discuss the spatiotemporal behavior of local density and its relation to dynamical heterogeneity in a highly supercooled liquid by using molecular dynamics simulations of a binary mixture with different particle sizes in two dimensions. To trace voids heterogeneously existing with lower local densities, which move along with the structural relaxation, we employ the minimum local density for each particle in a time window whose width is set along with the structural relaxation time. Particles subject to free volumes correspond well to the configuration rearranging region of dynamical heterogeneity. While the correlation length for dynamical heterogeneity grows with temperature decrease, no growth in the correlation length of heterogeneity in the minimum local density distribution takes place. A comparison of these results with those of normal mode analysis reveals that superpositions of lower-frequency soft modes extending over the free volumes exhibit spatial correlation with the broken bonds. This observation suggests a possibility that long-ranged vibration modes facilitate the interactions between fragile regions represented by free volumes, to induce dynamical correlations at a large scale.

  16. A phase space approach to supercooled liquids and a universal collapse of their viscosity

    Directory of Open Access Journals (Sweden)

    Nicholas Bryan Weingartner

    2016-11-01

    Full Text Available A broad fundamental understanding of the mechanisms underlying the phenomenology of supercooled liquids has remained elusive, despite decades of intense exploration. When supercooled beneath its characteristic melting temperature, a liquid sees a sharp rise in its viscosity over a narrow temperature range, eventually becoming frozen on laboratory timescales. Explaining this immense increase in viscosity is one of the principle goals of condensed matter physicists. To that end, numerous theoretical frameworks have been proposed which explain and reproduce the temperature dependence of the viscosity of supercooled liquids. Each of these frameworks appears only applicable to specific classes of glassformers and each possess a number of variable parameters. Here we describe a classical framework for explaining the dynamical behavior of supercooled liquids based on statistical mechanical considerations, and possessing only a single variable parameter. This parameter varies weakly from liquid to liquid. Furthermore, as predicted by this new classical theory and its earlier quantum counterpart, we find with the aid of a small dimensionless constant that varies in size from sim 0.05-0.12 , a universal (16 decade collapse of the viscosity data as a function of temperature. The collapse appears in all known types of glass forming supercooled liquids (silicates, metallic alloys, organic systems, chalcogenide, sugars, and water.

  17. A phase space approach to supercooled liquids and a universal collapse of their viscosity

    Science.gov (United States)

    Weingartner, Nicholas; Nogueira, Flavio; Pueblo, Chris; Kelton, Kenneth; Nussinov, Zohar

    2016-11-01

    A broad fundamental understanding of the mechanisms underlying the phenomenology of supercooled liquids has remained elusive, despite decades of intense exploration. When supercooled beneath its characteristic melting temperature, a liquid sees a sharp rise in its viscosity over a narrow temperature range, eventually becoming frozen on laboratory timescales. Explaining this immense increase in viscosity is one of the principle goals of condensed matter physicists. To that end, numerous theoretical frameworks have been proposed which explain and reproduce the temperature dependence of the viscosity of supercooled liquids. Each of these frameworks appears only applicable to specific classes of glassformers and each possess a number of variable parameters. Here we describe a classical framework for explaining the dynamical behavior of supercooled liquids based on statistical mechanical considerations, and possessing only a single variable parameter. This parameter varies weakly from liquid to liquid. Furthermore, as predicted by this new classical theory and its earlier quantum counterpart, we find with the aid of a small dimensionless constant that varies in size from ˜ 0.05-0.12, a universal (16 decade) collapse of the viscosity data as a function of temperature. The collapse appears in all known types of glass forming supercooled liquids (silicates, metallic alloys, organic systems, chalcogenide, sugars, and water).

  18. Behavior of supercooled aqueous solutions stemming from hidden liquid-liquid transition in water

    Science.gov (United States)

    Biddle, John W.; Holten, Vincent; Anisimov, Mikhail A.

    2014-08-01

    A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid-liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid-liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two systems, H2O-NaCl and H2O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archer and Carter [J. Phys. Chem. B 104, 8563 (2000)], to be consistent with the presence of the metastable liquid-liquid transition. We elucidate the non-conserved nature of the order parameter (extent of "reaction" between two alternative structures of water) and the consequences of its coupling with conserved properties (density and concentration). We also show how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases.

  19. Liquid-liquid transition in supercooled water suggested by microsecond simulations.

    Science.gov (United States)

    Li, Yaping; Li, Jicun; Wang, Feng

    2013-07-23

    The putative liquid-liquid phase transition in supercooled water has been used to explain many anomalous behaviors of water. However, no direct experimental verification of such a phase transition has been accomplished, and theoretical studies from different simulations contradict each other. We investigated the putative liquid-liquid phase transition using the Water potential from Adaptive Force Matching for Ice and Liquid (WAIL). The simulation reveals a first-order phase transition in the supercooled regime with the critical point at ~207 K and 50 MPa. Normal water is high-density liquid (HDL). Low-density liquid (LDL) emerges at lower temperatures. The LDL phase has a density only slightly larger than that of the ice-Ih and shows more long-range order than HDL. However, the transformation from LDL to HDL is spontaneous across the first-order phase transition line, suggesting the LDL configuration is not poorly formed nanocrystalline ice. It has been demonstrated in the past that the WAIL potential provides reliable predictions of water properties such as melting temperature and temperature of maximum density. Compared with other simple water potentials, WAIL is not biased by fitting to experimental properties, and simulation with this potential reflects the prediction of a high-quality first-principle potential energy surface.

  20. Experimental evidence for two distinct deeply supercooled liquid states of water – Response to “Comment on ‘Water's second glass transition”’, by G.P. Johari, Thermochim. Acta (2015)

    Energy Technology Data Exchange (ETDEWEB)

    Stern, J.; Seidl, M. [Institute of Physical Chemistry, University of Innsbruck, 6020 Innsbruck (Austria); Gainaru, C. [Fakultät Physik, Technische Universität Dortmund, 44221 Dortmund (Germany); Fuentes-Landete, V.; Amann-Winkel, K.; Handle, P.H. [Institute of Physical Chemistry, University of Innsbruck, 6020 Innsbruck (Austria); Köster, K.W.; Nelson, H. [Fakultät Physik, Technische Universität Dortmund, 44221 Dortmund (Germany); Böhmer, R., E-mail: roland.bohmer@tu-dortmund.de [Fakultät Physik, Technische Universität Dortmund, 44221 Dortmund (Germany); Loerting, T., E-mail: thomas.loerting@uibk.ac.at [Institute of Physical Chemistry, University of Innsbruck, 6020 Innsbruck (Austria)

    2015-10-10

    Highlights: • Two samples of amorphous ices quench-recovered from 140 K to 0.07 GPa are compared. • Calorimetry, X-ray diffraction, dielectric spectroscopy and volumetry are employed. • The two samples are distinct and cannot both be termed “pressure-densified glassy water”. • One route of preparation leads to high- (HDA), and the other to low-density amorphous ice (LDA). • Two distinct glass transitions are observed and interpreted to indicate two liquid H{sub 2}O phases. - Abstract: Recently, our earlier data which led us to conclude that deeply supercooled water displays a second glass transition (Amann-Winkel et al., 2013) was reinterpreted (Johari, 2015). In particular, the increase in heat capacity observed for high-density amorphous ice (HDA) samples at 116 K was reinterpreted to indicate sub-T{sub g} features of low-density amorphous ice's (LDA's) glass transition. We reply to the criticism in detail and report an experiment triggered by the comment on our work. This experiment unequivocally confirms our original interpretation of the observations and reinforces the case for water's second glass transition, its polyamorphism, and the observation of two distinct ultraviscous states of water differing by about 25% in density.

  1. Orientational dynamics and energy landscape features of thermotropic liquid crystals: An analogy with supercooled liquids

    Indian Academy of Sciences (India)

    Biman Jana; Biman Bagchi

    2007-09-01

    Recent optical kerr effect (OKE) studies have revealed that orientational relaxation of rodlike nematogens near the isotropic-nematic (I-N) phase boundary and also in the nematic phase exhibit temporal power law decay at intermediate times. Such behaviour has drawn an intriguing analogy with supercooled liquids. Here, we have investigated the single-particle and collective orientational dynamics of a family of model system of thermotropic liquid crystals using extensive computer simulations. Several remarkable features of glassy dynamics are on display including non-exponential relaxation, dynamical heterogeneity, and non-Arrhenius temperature dependence of the orientational relaxation time. Over a temperature range near the I-N phase boundary, the system behaves like a fragile glass-forming liquid. Using proper scaling, we construct the usual relaxation time versus inverse temperature plot and explicitly demonstrate that one can successfully define a density dependent fragility of liquid crystals. The fragility of liquid crystals shows a temperature and density dependence which is remarkably similar to the fragility of glass forming supercooled liquids. Energy landscape analysis of inherent structures shows that the breakdown of the Arrhenius temperature dependence of relaxation rate occurs at a temperature that marks the onset of the growth of the depth of the potential energy minima explored by the system.

  2. Radiometric Observations of Supercooled Liquid Water within a Split Front over the Sierra Nevada.

    Science.gov (United States)

    Heggli, Mark F.; Reynolds, David W.

    1985-11-01

    A storm bearing close structural resemblance to a katafront was observed from the ground with microwave radiometry and a vertically pointing Ka-band radar over the Sierra Nevada of California. The onset and duration of supercooled liquid water was determined and matched to a split front model used to describe the synoptic features of a katafront. Results indicate that prior to the passage of the upper front no supercooled liquid water was observed. This portion of the storm provided the deepest cloud and coldest cloud tops. Supercooled liquid water was most prevalent after the upper front passage, and persisted until the suspected surface front passage. The duration of measured supercooled water was 16 hours.This information broadens the knowledge regarding the presence of supercooled liquid water, and thus possible seeding potential, within winter storms so that treatment can be confined to the period of storms amenable to cloud seeding. Future studies may well confirm the ease with which these periods can be predicted on an operational basis in the Sierra Nevada.

  3. Improvements of the experimental apparatus for measurement of the surface tension of supercooled liquids using horizontal capillary tube

    Directory of Open Access Journals (Sweden)

    Vinš Václav

    2016-01-01

    Full Text Available An experimental apparatus with a horizontal capillary tube for measurement of the surface tension of supercooled liquids, i.e. liquids in a metastable state below the equilibrium freezing point, was designed and tested in the previous study [V. Vinš et al., EPJ Web Conf. 92, 02108 (2015]. In this work, recent modifications of both the experimental setup and the measurement analysis are described. The main aim is to improve the accuracy and the reproducibility of measured surface tension and to achieve higher degrees of supercooling. Temperature probes measuring the temperature of cooling medium near the horizontal capillary tube were calibrated in the relevant temperature range from – 31 °C to + 45 °C. An additional pressure transducer was installed in the helium distribution setup at the position close to the capillary tube. The optical setup observing the liquid meniscus at the open end of the horizontal capillary tube together with the video analysis were thoroughly revised. The red laser illuminating the liquid meniscus, used at the original apparatus, was replaced by a fiber optic light source, which significantly improved the quality of the meniscus image. The modified apparatus was used for the measurement of surface tension of supercooled water at temperatures down to – 11 °C. The new data have a lower scatter compared to the previous horizontal measurements and show a good agreement with the other data obtained with a different measurement technique based on the modified capillary rise method.

  4. Structural crossover in a supercooled metallic liquid and the link to a liquid-to-liquid phase transition

    Science.gov (United States)

    Lan, S.; Blodgett, M.; Kelton, K. F.; Ma, J. L.; Fan, J.; Wang, X.-L.

    2016-05-01

    Time-resolved synchrotron measurements were carried out to capture the structure evolution of an electrostatically levitated metallic-glass-forming liquid during free cooling. The experimental data shows a crossover in the liquid structure at ˜1000 K, about 115 K below the melting temperature and 150 K above the crystallization temperature. The structure change is characterized by a dramatic growth in the extended-range order below the crossover temperature. Molecular dynamics simulations have identified that the growth of the extended-range order was due to an increased correlation between solute atoms. These results provide structural evidence for a liquid-to-liquid-phase-transition in the supercooled metallic liquid.

  5. Liquid–liquid transition in supercooled water suggested by microsecond simulations

    OpenAIRE

    Li, Yaping; Li, Jicun; Wang, Feng

    2013-01-01

    The putative liquid–liquid phase transition in supercooled water has been used to explain many anomalous behaviors of water. However, no direct experimental verification of such a phase transition has been accomplished, and theoretical studies from different simulations contradict each other. We investigated the putative liquid–liquid phase transition using the Water potential from Adaptive Force Matching for Ice and Liquid (WAIL). The simulation reveals a first-order phase transition in the ...

  6. Thermalization calorimetry: A simple method for investigating glass transition and crystallization of supercooled liquids

    DEFF Research Database (Denmark)

    Jakobsen, Bo; Sanz, Alejandro; Niss, Kristine;

    2016-01-01

    We present a simple method for fast and cheap thermal analysis on supercooled glass-forming liquids. This “Thermalization Calorimetry” technique is based on monitoring the temperature and its rate of change during heating or cooling of a sample for which the thermal power input comes from heat...

  7. A nanosecond pulsed laser heating system for studying liquid and supercooled liquid films in ultrahigh vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Yuntao [Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Dibble, Collin J. [Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Petrik, Nikolay G. [Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Smith, R. Scott [Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Joly, Alan G. [Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Tonkyn, Russell G. [Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Kay, Bruce D. [Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Kimmel, Greg A. [Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA

    2016-04-26

    A pulsed laser heating system has been developed that enables investigations of the dynamics and kinetics of nanoscale liquid films and liquid/solid interfaces on the nanosecond timescale in ultrahigh vacuum (UHV). Details of the design, implementation and characterization of a nanosecond pulsed laser system for transiently heating nanoscale films are described. Nanosecond pulses from a Nd:YAG laser are used to rapidly heat thin films of adsorbed water or other volatile materials on a clean, well-characterized Pt(111) crystal in UHV. Heating rates of ~1010 K/s for temperature increases of ~100 – 200 K are obtained. Subsequent rapid cooling (~5 × 109 K/s) quenches the film, permitting in-situ, post-mortem analysis using a variety of surface science techniques. Lateral variations in the laser pulse energy are ~ ± 3% leading to a temperature uncertainty of ~ ± 5 K for a temperature jump of 200 K. Initial experiments with the apparatus demonstrate that crystalline ice films initially held at 90 K can be rapidly transformed into liquid water films with T > 273 K. No discernable recrystallization occurs during the rapid cooling back to cryogenic temperatures. In contrast, amorphous solid water films heated below the melting point rapidly crystallize. The nanosecond pulsed laser heating system can prepare nanoscale liquid and supercooled liquid films that persist for nanoseconds per heat pulse in an UHV environment, enabling experimental studies of a wide range of phenomena in liquids and at liquid/solid interfaces.

  8. Molecular dynamics of supercooled ionic liquids studied by light scattering and dielectric spectroscopy

    Science.gov (United States)

    Pabst, Florian; Gabriel, Jan; Weigl, Peter; Blochowicz, Thomas

    2017-09-01

    We investigate molecular dynamics of two supercooled room temperature ionic liquids (RTILs) above of their glass transition temperature by means of dynamic light scattering and broadband dielectric spectroscopy from nanoseconds up to ≈105s . We show that a direct comparison of the raw data of these two techniques allows us to identify the reorientation of ions in the dielectric data, giving experimental evidence to a very recently proposed model of Gainaru et al. [1], stating that the conductivity process in ionic liquids takes place through a reorientational step of ions escaping their cage formed by surrounding counterions. Within this approach we can also understand the apparent decoupling of time constants from dielectric spectroscopy and light scattering, often found in ionic liquids, in a very natural way. Furthermore, as a consequence of knowing the reorientational part of the dielectric spectrum, we are able to show that two more processes contribute to these spectra, which are due to electrode polarization effects. The relative position of all three contributions vary among the systems and may overshadow each other, thus complicating the data analysis and favor misinterpretations.

  9. Breaking Through the Glass Ceiling: Recent Experimental Approaches to Probe the Properties of Supercooled Liquids near the Glass Transition.

    Energy Technology Data Exchange (ETDEWEB)

    Smith, R. Scott; Kay, Bruce D.

    2012-03-15

    Experimental measurements of the properties supercooled liquids at temperatures near their respective glass transition temperatures, Tg, are requisite for understanding the behavior of glasses and amorphous solids. Unfortunately, many supercooled molecular liquids rapidly crystallize at temperatures far above their Tg making such measurements difficult to nearly impossible. In this perspective we discuss some recent alternative approaches to obtain experimental data in the temperature regime near Tg. These new approaches may yield the additional experimental data necessary to test current theoretical models of the dynamical slowdown that occurs in supercooled liquids approaching the glass transition.

  10. Breaking Through the Glass Ceiling: Recent Experimental Approaches to Probe the Properties of Supercooled Liquids near the Glass Transition.

    Science.gov (United States)

    Smith, R Scott; Kay, Bruce D

    2012-03-15

    Experimental measurements of the properties of supercooled liquids at temperatures near their glass transition temperatures, Tg, are requisite for understanding the behavior of glasses and amorphous solids. Unfortunately, many supercooled molecular liquids rapidly crystallize at temperatures far above their Tg, making such measurements difficult to nearly impossible. In this Perspective, we discuss some recent alternative approaches to obtain experimental data in the temperature regime near Tg. These new approaches may yield the additional experimental data necessary to test current theoretical models of the dynamical slowdown that occurs in supercooled liquids approaching the glass transition.

  11. Supercooled smectic nanoparticles

    DEFF Research Database (Denmark)

    Kuntsche, Judith; Westesen, K; Drechsler, M

    2004-01-01

    The possibility of preparing nanoparticles in the supercooled thermotropic liquid crystalline state from cholesterol esters with saturated acyl chains as well as the incorporation of model drugs into the dispersions was investigated using cholesteryl myristate (CM) as a model cholesterol ester....

  12. Supercooled smectic nanoparticles

    DEFF Research Database (Denmark)

    Kuntsche, Judith; Westesen, K; Drechsler, M

    2004-01-01

    The possibility of preparing nanoparticles in the supercooled thermotropic liquid crystalline state from cholesterol esters with saturated acyl chains as well as the incorporation of model drugs into the dispersions was investigated using cholesteryl myristate (CM) as a model cholesterol ester....

  13. Thermalization calorimetry: A simple method for investigating glass transition and crystallization of supercooled liquids

    Directory of Open Access Journals (Sweden)

    Bo Jakobsen

    2016-05-01

    Full Text Available We present a simple method for fast and cheap thermal analysis on supercooled glass-forming liquids. This “Thermalization Calorimetry” technique is based on monitoring the temperature and its rate of change during heating or cooling of a sample for which the thermal power input comes from heat conduction through an insulating material, i.e., is proportional to the temperature difference between sample and surroundings. The monitored signal reflects the sample’s specific heat and is sensitive to exo- and endothermic processes. The technique is useful for studying supercooled liquids and their crystallization, e.g., for locating the glass transition and melting point(s, as well as for investigating the stability against crystallization and estimating the relative change in specific heat between the solid and liquid phases at the glass transition.

  14. Boson peak, Ioffe-Regel Crossover, and Liquid-Liquid phase transition in Supercooled Water

    Science.gov (United States)

    Kumar, Pradeep

    We have investigated the onset of Boson peak in a model of liquid water which exhibits a clear first-order phase transition between a low-density liquid phase and a high-density liquid phase of water at low temperature and high pressure. We find that the at low pressures, the onset of Boson peak coincides with the Widom-line of the system. At high pressures, the onset occurs at the transition temperature between the two liquids. Furthermore, we show that at both low and high pressure, the frequency of the Boson peak coincides with the Ioffe-Regel crossover of the transverse phonons, suggesting that the breakdown of Debye behavior is a general feature of Ioffe-Regel limit crossover in supercooled water. The frequency of the Boson peak is weakly pressure dependent and decreases with increasing pressure. Our work bridges gap between the experimental results on the Boson peak nanoconfined water and the behavior that one would expect from a bulk system.

  15. A nanosecond pulsed laser heating system for studying liquid and supercooled liquid films in ultrahigh vacuum.

    Science.gov (United States)

    Xu, Yuntao; Dibble, Collin J; Petrik, Nikolay G; Smith, R Scott; Joly, Alan G; Tonkyn, Russell G; Kay, Bruce D; Kimmel, Greg A

    2016-04-28

    A pulsed laser heating system has been developed that enables investigations of the dynamics and kinetics of nanoscale liquid films and liquid/solid interfaces on the nanosecond time scale in ultrahigh vacuum (UHV). Details of the design, implementation, and characterization of a nanosecond pulsed laser system for transiently heating nanoscale films are described. Nanosecond pulses from a Nd:YAG laser are used to rapidly heat thin films of adsorbed water or other volatile materials on a clean, well-characterized Pt(111) crystal in UHV. Heating rates of ∼10(10) K/s for temperature increases of ∼100-200 K are obtained. Subsequent rapid cooling (∼5 × 10(9) K/s) quenches the film, permitting in-situ, post-heating analysis using a variety of surface science techniques. Lateral variations in the laser pulse energy are ∼±2.7% leading to a temperature uncertainty of ∼±4.4 K for a temperature jump of 200 K. Initial experiments with the apparatus demonstrate that crystalline ice films initially held at 90 K can be rapidly transformed into liquid water films with T > 273 K. No discernable recrystallization occurs during the rapid cooling back to cryogenic temperatures. In contrast, amorphous solid water films heated below the melting point rapidly crystallize. The nanosecond pulsed laser heating system can prepare nanoscale liquid and supercooled liquid films that persist for nanoseconds per heat pulse in an UHV environment, enabling experimental studies of a wide range of phenomena in liquids and at liquid/solid interfaces.

  16. A nanosecond pulsed laser heating system for studying liquid and supercooled liquid films in ultrahigh vacuum

    Science.gov (United States)

    Xu, Yuntao; Dibble, Collin J.; Petrik, Nikolay G.; Smith, R. Scott; Joly, Alan G.; Tonkyn, Russell G.; Kay, Bruce D.; Kimmel, Greg A.

    2016-04-01

    A pulsed laser heating system has been developed that enables investigations of the dynamics and kinetics of nanoscale liquid films and liquid/solid interfaces on the nanosecond time scale in ultrahigh vacuum (UHV). Details of the design, implementation, and characterization of a nanosecond pulsed laser system for transiently heating nanoscale films are described. Nanosecond pulses from a Nd:YAG laser are used to rapidly heat thin films of adsorbed water or other volatile materials on a clean, well-characterized Pt(111) crystal in UHV. Heating rates of ˜1010 K/s for temperature increases of ˜100-200 K are obtained. Subsequent rapid cooling (˜5 × 109 K/s) quenches the film, permitting in-situ, post-heating analysis using a variety of surface science techniques. Lateral variations in the laser pulse energy are ˜±2.7% leading to a temperature uncertainty of ˜±4.4 K for a temperature jump of 200 K. Initial experiments with the apparatus demonstrate that crystalline ice films initially held at 90 K can be rapidly transformed into liquid water films with T > 273 K. No discernable recrystallization occurs during the rapid cooling back to cryogenic temperatures. In contrast, amorphous solid water films heated below the melting point rapidly crystallize. The nanosecond pulsed laser heating system can prepare nanoscale liquid and supercooled liquid films that persist for nanoseconds per heat pulse in an UHV environment, enabling experimental studies of a wide range of phenomena in liquids and at liquid/solid interfaces.

  17. Evidence of the existence of the low-density liquid phase in supercooled, confined water

    OpenAIRE

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

    2006-01-01

    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 TH = 231 K. Using this trick, we were able to study, by means of a Fourier transform infrared spectroscopy, vibrational spectra (HOH bending and OH-stretching modes) of deeply supercooled water in the temperature range 183 < T < 273 K. We observed, upon decreasing temperature, the bui...

  18. Direct measurement of the surface dynamics of supercooled liquid-glycerol by optical scanning a film

    Institute of Scientific and Technical Information of China (English)

    Zhang Fang; Zhang Guo-Feng; Dong Shuang-Li; Sun Jian-Hu; Chen Rui-Yun; Xiao Lian-Tuan; Jia Suo-Tang

    2009-01-01

    The surface dynamics of supercooled liquid-glycerol is studied by scanning the thickness of the glycerol film with single photon detection. Measurements are performed at room temperature well above the glycerol's glass transition temperature. It is shown that the surface dynamics of the glycerol film is very sensitive to the temperature. The linear relationship between the thickness of the film and the viscosity predicted by the Vogel-Fulcher-Tammann-Hesse (VFTH) law is also presented experimentally.

  19. In-situ High-energy X-ray Diffraction Study of the Local Structure of Supercooled Liquid Si

    Science.gov (United States)

    Lee, G. W.; Kim, T. H.; Sieve, B.; Gangopadhyay, A. K.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.; Robinson, D. S.; Kelton, K. F.; Goldman, A. I.

    2005-01-01

    While changes in the coordination number for liquid silicon upon supercooling, signaling an underlying liquid-liquid phase transition, have been predicted, x-ray and neutron measurements have produced conflicting reports. In particular some studies have found an increase in the first shell coordination as temperature decreases in the supercooled regime, while others have reported increases in the coordination number with decreasing temperature. Employing the technique of electrostatic levitation coupled with high energy x-ray diffraction (125 keV), and rapid data acquisition (100ms collection times) using an area detector, we have obtained high quality structural data more deeply into the supercooled regime than has been possible before. No change in coordination number is observed in this temperature region, calling into question previous experimental claims of structural evidence for the existence of a liquid-liquid phase transition.

  20. Evidence of the existence of the low-density liquid phase in supercooled, confined water.

    Science.gov (United States)

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

    2007-01-09

    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 TH = 231 K. Using this trick, we were able to study, by means of a Fourier transform infrared spectroscopy, vibrational spectra (HOH bending and OH-stretching modes) of deeply supercooled water in the temperature range 183 < T < 273 K. We observed, upon decreasing temperature, the building up of a new population of hydrogen-bonded oscillators centered around 3,120 cm(-1), the contribution of which progressively dominates the spectra as one enters into the deeply supercooled regime. We determined that the fractional weight of this spectral component reaches 50% just at the temperature, TL approximately 225 K, where the confined water shows a fragile-to-strong dynamic cross-over phenomenon [Ito, K., Moynihan, C. T., Angell, C. A. (1999) Nature 398:492-494]. Furthermore, the fact that the corresponding OH stretching spectral peak position of the low-density-amorphous solid water occurs exactly at 3,120 cm(-1) [Sivakumar, T. C., Rice, S. A., Sceats, M. G. (1978) J. Chem. Phys. 69:3468-3476.] strongly suggests that these oscillators originate from existence of the low-density-liquid phase derived from the occurrence of the first-order liquid-liquid (LL) phase transition and the associated LL critical point in supercooled water proposed earlier by a computer molecular dynamics simulation [Poole, P. H., Sciortino, F., Essmann, U., Stanley, H. E. (1992) Nature 360:324-328].

  1. Behavior of supercooled aqueous solutions stemming from hidden liquid–liquid transition in water

    Energy Technology Data Exchange (ETDEWEB)

    Biddle, John W.; Holten, Vincent; Anisimov, Mikhail A., E-mail: anisimov@umd.edu [Institute for Physical Science and Technology and Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2014-08-21

    A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid–liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid–liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two systems, H{sub 2}O-NaCl and H{sub 2}O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archer and Carter [J. Phys. Chem. B 104, 8563 (2000)], to be consistent with the presence of the metastable liquid–liquid transition. We elucidate the non-conserved nature of the order parameter (extent of “reaction” between two alternative structures of water) and the consequences of its coupling with conserved properties (density and concentration). We also show how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases.

  2. Stable glass transformation to supercooled liquid via surface-initiated growth front.

    Science.gov (United States)

    Swallen, Stephen F; Traynor, Katherine; McMahon, Robert J; Ediger, M D; Mates, Thomas E

    2009-02-13

    Highly stable glasses of tris-naphthylbenzene transform into a liquid when annealed above the glass transition temperature T_{g}. In contrast to the predictions of standard models, the observed transformation is spatially inhomogeneous. Secondary ion mass spectrometry experiments on isotopically labeled multilayer films show that the liquid grows into the stable glass with sharp growth fronts initiated at the free surface and at the interface with the substrate. For the free surface, the growth velocity is constant in time and has the same temperature dependence as self-diffusion in the equilibrium supercooled liquid. These stable glasses are packed so efficiently that surfaces and interfaces are required to initiate the transformation to the liquid even well above T_{g}.

  3. Thermodynamic geometry of supercooled water

    Science.gov (United States)

    May, Helge-Otmar; Mausbach, Peter; Ruppeiner, George

    2015-03-01

    The thermodynamic curvature scalar R is evaluated for supercooled water with a two-state equation of state correlated with the most recent available experimental data. This model assumes a liquid-liquid critical point. Our investigation extends the understanding of the thermodynamic behavior of R considerably. We show that R diverges to -∞ when approaching the assumed liquid-liquid critical point. This limit is consistent with all of the fluid critical point models known so far. In addition, we demonstrate a sign change of R along the liquid-liquid line from negative near the critical point to positive on moving away from the critical point in the low density "ice-like" liquid phase. We also trace out the Widom line in phase space. In addition, we investigate increasing correlation length in supercooled water and compare our results with recent published small angle x-ray scattering measurements.

  4. A maximum-entropy approach to the adiabatic freezing of a supercooled liquid.

    Science.gov (United States)

    Prestipino, Santi

    2013-04-28

    I employ the van der Waals theory of Baus and co-workers to analyze the fast, adiabatic decay of a supercooled liquid in a closed vessel with which the solidification process usually starts. By imposing a further constraint on either the system volume or pressure, I use the maximum-entropy method to quantify the fraction of liquid that is transformed into solid as a function of undercooling and of the amount of a foreign gas that could possibly be also present in the test tube. Upon looking at the implications of thermal and mechanical insulation for the energy cost of forming a solid droplet within the liquid, I identify one situation where the onset of solidification inevitably occurs near the wall in contact with the bath.

  5. An apparatus with a horizontal capillary tube intended for measurement of the surface tension of supercooled liquids

    Directory of Open Access Journals (Sweden)

    Vinš Václav

    2015-01-01

    Full Text Available New experimental apparatus for measurement of the surface tension of liquids under the metastable supercooled state has been designed and assembled in the study. The measuring technique is similar to the method employed by P.T. Hacker [NACA TN 2510] in 1951. A short liquid thread of the liquid sample was sucked inside a horizontal capillary tube partly placed in a temperature-controlled glass chamber. One end of the capillary tube was connected to a setup with inert gas which allowed for precise tuning of the gas overpressure in order of hundreds of Pa. The open end of the capillary tube was precisely grinded and polished before the measurement in order to assure planarity and perpendicularity of the outer surface. The liquid meniscus at the open end was illuminated by a laser beam and observed by a digital camera. Application of an increasing overpressure of the inert gas at the inner meniscus of the liquid thread caused variation of the outer meniscus such that it gradually changed from concave to flat and subsequently convex shape. The surface tension at the temperature of the inner meniscus could be evaluated from the overpressure corresponding to exactly planar outer meniscus. Detailed description of the new setup together with results of the preliminary tests is provided in the study.

  6. The glass crossover from mean-field Spin-Glasses to supercooled liquids

    Science.gov (United States)

    Rizzo, Tommaso

    2016-03-01

    Stochastic-Beta-Relaxation provides a characterisation of the glass crossover in discontinuous Spin-Glasses and supercoooled liquid. Notably it can be derived through a rigorous computation from a dynamical Landau theory. In this paper, I will discuss the precise meaning of this connection in a language that does not require familiarity with statistical field theory. I will discuss finite-size corrections in mean-field Spin-Glass models and loop corrections in finite-dimensional models that are both described by the dynamical Landau theory considered. Then I will argue that the same Landau theory can be associated to supercooled liquid described by Mode-Coupling Theory invoking a physical principle of time-scale invariance.

  7. Measuring ice and liquid water content in moderately supercooled clouds with Cloudnet

    Science.gov (United States)

    Bühl, Johannes; Seifert, Patric; Myagkov, Alexander; Albert, Ansmann

    2016-04-01

    The interaction between ice nuclei and clouds is an important topic in weather and climate research. Recent laboratory experiments and field in-situ field campaigns present more and more detailed measurements of ice nucleating particles (INP) at temperatures close to 0°C. This brings moderately supercooled mixed-phase clouds into the focus of current cloud research. One current example is the European Union BACCHUS project. A major goal of BACCHUS is the analysis of the anthropogenic impact on ice nucleation. Within this project, we use the Leipzig Aerosol Cloud Remote Observations System (LACROS) and the Cloudnet framework in order to get quantitative insight into the formation of ice in mixed-phase layered clouds with cloud top temperature (CTT) from -40 to 0°C. Depolarization measurements from lidar and radar show a clear dependence between particle shape and the temperature under which the particles have been formed. The special focus of this work is on the CTT range from -10 to 0°C. An algorithm is presented to decide between ice and liquid water precipitation falling from the clouds showing that between 10% and 30% of all layered clouds show ice precipitation with CTT between -5 and 0°C. For these slightly supercooled clouds an average ice-water-content between 10e-7 and 10e-8 [kg per cubic meter] is found.

  8. Local structure of equilibrium and supercooled Ti-Zr-Ni liquids

    Energy Technology Data Exchange (ETDEWEB)

    Lee, G. W.; Gangopadhyay, A.; Hyers, R.; Rathz, T.; Rogers, J.; Robinson, D.; Goldman, A.; Kelton, K.

    2008-05-01

    Recently, we reported the results of experimental in situ high-energy x-ray diffraction studies of electrostatically levitated equilibrium and supercooled metallic elements and alloy liquids, showing evidence for icosahedral short-range ordering (ISRO). In this paper, these studies are extended to binary Ti-Zr and ternary Ti-Zr-Ni alloys. From a cluster-based analysis of the x-ray structure factors, it is concluded that ISRO in the binary alloys becomes progressively more dominant, and the coherence length of the order becomes longer, with the addition of Ni, especially near the concentration of 21 at. % Ni. The effect of chemical interactions among Ti/Zr-Ni and the atomic size on the stabilization of the ISRO is discussed.

  9. Electron Correlation Microscopy: A New Technique for Studying Local Atom Dynamics Applied to a Supercooled Liquid.

    Science.gov (United States)

    He, Li; Zhang, Pei; Besser, Matthew F; Kramer, Matthew Joseph; Voyles, Paul M

    2015-08-01

    Electron correlation microscopy (ECM) is a new technique that utilizes time-resolved coherent electron nanodiffraction to study dynamic atomic rearrangements in materials. It is the electron scattering equivalent of photon correlation spectroscopy with the added advantage of nanometer-scale spatial resolution. We have applied ECM to a Pd40Ni40P20 metallic glass, heated inside a scanning transmission electron microscope into a supercooled liquid to measure the structural relaxation time τ between the glass transition temperature T g and the crystallization temperature, T x . τ determined from the mean diffraction intensity autocorrelation function g 2(t) decreases with temperature following an Arrhenius relationship between T g and T g +25 K, and then increases as temperature approaches T x . The distribution of τ determined from the g 2(t) of single speckles is broad and changes significantly with temperature.

  10. Vibrating-Wire, Supercooled Liquid Water Content Sensor Calibration and Characterization Progress

    Science.gov (United States)

    King, Michael C.; Bognar, John A.; Guest, Daniel; Bunt, Fred

    2016-01-01

    NASA conducted a winter 2015 field campaign using weather balloons at the NASA Glenn Research Center to generate a validation database for the NASA Icing Remote Sensing System. The weather balloons carried a specialized, disposable, vibrating-wire sensor to determine supercooled liquid water content aloft. Significant progress has been made to calibrate and characterize these sensors. Calibration testing of the vibrating-wire sensors was carried out in a specially developed, low-speed, icing wind tunnel, and the results were analyzed. The sensor ice accretion behavior was also documented and analyzed. Finally, post-campaign evaluation of the balloon soundings revealed a gradual drift in the sensor data with increasing altitude. This behavior was analyzed and a method to correct for the drift in the data was developed.

  11. Correlation between supercooled liquid relaxation and glass poisson’s ratio

    DEFF Research Database (Denmark)

    Sun, Q.J.; Hu, L.N.; Zhou, C.

    2015-01-01

    We report on a correlation between the supercooled liquid (SL) relaxation and glass Poisson’s ratio (v) by comparing the activation energy ratio (r) of the α and the slow β relaxations and the v values for both metallic and nonmetallic glasses. Poisson’s ratio v generally increases with an increase...... in the ratio r and this relation can be described by the empirical function v = 0.5 − A ∗ exp(−B ∗ r), where A and B are constants. This correlation might imply that glass plasticity is associated with the competition between the α and the slow β relaxations in SLs. The underlying physics of this correlation...

  12. Dynamic heterogeneity in crossover spin facilitated model of supercooled liquid and fractional Stokes-Einstein relation

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Seo-Woo; Kim, Soree; Jung, YounJoon, E-mail: yjjung@snu.ac.kr [Department of Chemistry, Seoul National University, Seoul 151-747 (Korea, Republic of)

    2015-06-28

    Kinetically constrained models have gained much interest as models that assign the origins of interesting dynamic properties of supercooled liquids to dynamical facilitation mechanisms that have been revealed in many experiments and numerical simulations. In this work, we investigate the dynamic heterogeneity in the fragile-to-strong liquid via Monte Carlo method using the model that linearly interpolates between the strong liquid-like behavior and the fragile liquid-like behavior by an asymmetry parameter b. When the asymmetry parameter is sufficiently small, smooth fragile-to-strong transition is observed both in the relaxation time and the diffusion constant. Using these physical quantities, we investigate fractional Stokes-Einstein relations observed in this model. When b is fixed, the system shows constant power law exponent under the temperature change, and the exponent has the value between that of the Frederickson-Andersen model and the East model. Furthermore, we investigate the dynamic length scale of our systems and also find the crossover relation between the relaxation time. We ascribe the competition between energetically favored symmetric relaxation mechanism and entropically favored asymmetric relaxation mechanism to the fragile-to-strong crossover behavior.

  13. What am I? Supercooled droplet or ice?

    CERN Document Server

    Antonini, Carlo; Maitra, Tanmoy; Tiwari, Manish K; Poulikakos, Dimos

    2013-01-01

    In this fluid dynamics video we show the trick played by a supercooled liquid water drop against a superhydrophobic surface. The water drop shows a double personality, impacting onto the surface the first time while still in the liquid state, and then re-impacting as a frozen ice crystal.

  14. Breaking through the Glass Ceiling: The Correlation Between the Self-Diffusivity in and Krypton Permeation through Deeply Supercooled Liquid Nanoscale Methanol Films

    Energy Technology Data Exchange (ETDEWEB)

    Smith, R. Scott; Matthiesen, Jesper; Kay, Bruce D.

    2010-03-28

    Molecular beam techniques, temperature-programmed desorption (TPD), and reflection absorption infrared spectroscopy (RAIRS) are used to explore the relationship between krypton permeation through and the self-diffusivity of supercooled liquid methanol at temperatures near (100-115 K) the glass transition temperature, Tg (103 K). Layered films, consisting of CH3OH and CD3OH, are deposited ontop of a monolayer of Kr on a graphene covered Pt(111) substrate at 25 K. Concurrent Kr TPD and RAIRS spectra are acquired during the heating of the composite film to temperatures above Tg. The CO vibrational stretch is sensitive to the local molecular environment and is used to determine the supercooled liquid diffusivity from the intermixing of the isotopic layers. We find that the Kr permeation and the diffusivity of the supercooled liquid are directly and quantitatively correlated. These results validate the rare gas permeation technique as a tool for probing the diffusivity of supercooled liquids.

  15. Breaking through the glass ceiling: The correlation between the self-diffusivity in and krypton permeation through deeply supercooled liquid nanoscale methanol films

    Science.gov (United States)

    Smith, R. Scott; Matthiesen, Jesper; Kay, Bruce D.

    2010-03-01

    Molecular beam techniques, temperature-programmed desorption (TPD), and reflection absorption infrared spectroscopy (RAIRS) are used to explore the relationship between krypton permeation through and the self-diffusivity of supercooled liquid methanol at temperatures (100-115 K) near the glass transition temperature, Tg (103 K). Layered films, consisting of CH3OH and CD3OH, are deposited on top of a monolayer of Kr on a graphene covered Pt(111) substrate at 25 K. Concurrent Kr TPD and RAIRS spectra are acquired during the heating of the composite film to temperatures above Tg. The CO vibrational stretch is sensitive to the local molecular environment and is used to determine the supercooled liquid diffusivity from the intermixing of the isotopic layers. We find that the Kr permeation and the diffusivity of the supercooled liquid are directly and quantitatively correlated. These results validate the rare-gas permeation technique as a tool for probing the diffusivity of supercooled liquids.

  16. Deformation behavior of Zr-based bulk metallic glass and composite in the supercooled liquid region

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    A Zr-based bulk metallic glass (BMG) with a composition of (Zr75Cu25)78.5Ta4Ni10Al7.5 and a bulk metallic glass matrix composite (BMGC) with a composition of (Zr75Cu25)74.5Ta8Ni10Al7.5 have been prepared by copper-mold casting. The compres-sive deformation behavior of the BMG and BMGC was investigated in the super-cooled region at different temperatures and various strain rates ranging from 8×10-4s-1 to 8×10-2s-1. It was found that both the strain rate and test temperature signifi-cantly affect the deformation behavior of the two alloys. The deformation follows Newtonian flow at low strain rates but non-Newtonian flow at high strain rates. The deformation mechanism for the two kinds of alloys was discussed in terms of the transition state theory.

  17. Detection of supercooled liquid water-topped mixed-phase clouds >from shortwave-infrared satellite observations

    Science.gov (United States)

    NOH, Y. J.; Miller, S. D.; Heidinger, A. K.

    2015-12-01

    Many studies have demonstrated the utility of multispectral information from satellite passive radiometers for detecting and retrieving the properties of cloud globally, which conventionally utilizes shortwave- and thermal-infrared bands. However, the satellite-derived cloud information comes mainly from cloud top or represents a vertically integrated property. This can produce a large bias in determining cloud phase characteristics, in particular for mixed-phase clouds which are often observed to have supercooled liquid water at cloud top but a predominantly ice phase residing below. The current satellite retrieval algorithms may report these clouds simply as supercooled liquid without any further information regarding the presence of a sub-cloud-top ice phase. More accurate characterization of these clouds is very important for climate models and aviation applications. In this study, we present a physical basis and preliminary results for the algorithm development of supercooled liquid-topped mixed-phase cloud detection using satellite radiometer observations. The detection algorithm is based on differential absorption properties between liquid and ice particles in the shortwave-infrared bands. Solar reflectance data in narrow bands at 1.6 μm and 2.25 μm are used to optically probe below clouds for distinction between supercooled liquid-topped clouds with and without an underlying mixed phase component. Varying solar/sensor geometry and cloud optical properties are also considered. The spectral band combination utilized for the algorithm is currently available on Suomi NPP Visible/Infrared Imaging Radiometer Suite (VIIRS), Himawari-8 Advanced Himawari Imager (AHI), and the future GOES-R Advance Baseline Imager (ABI). When tested on simulated cloud fields from WRF model and synthetic ABI data, favorable results were shown with reasonable threat scores (0.6-0.8) and false alarm rates (0.1-0.2). An ARM/NSA case study applied to VIIRS data also indicated promising

  18. Understanding the nonlinear dynamics of driven particles in supercooled liquids in terms of an effective temperature

    Energy Technology Data Exchange (ETDEWEB)

    Schroer, Carsten F. E., E-mail: c.schroer@uni-muenster.de [Institut für Physikalische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstraße 28/30, 48149 Münster (Germany); NRW Graduate School of Chemistry, Wilhelm-Klemm-Straße 10, 48149 Münster (Germany); Heuer, Andreas, E-mail: andheuer@uni-muenster.de [Institut für Physikalische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstraße 28/30, 48149 Münster (Germany); Center of Nonlinear Science, Corresstraße 2, 48149 Münster (Germany); Center for Multiscale Theory and Computation, Corrensstraße 40, 48149 Münster (Germany)

    2015-12-14

    In active microrheology, the mechanical properties of a material are tested by adding probe particles which are pulled by an external force. In case of supercooled liquids, strong forcing leads to a thinning of the host material which becomes more pronounced as the system approaches the glass transition. In this work, we provide a quantitative theoretical description of this thinning behavior based on the properties of the Potential Energy Landscape (PEL) of a model glass-former. A key role plays the trap-like nature of the PEL. We find that the mechanical properties in the strongly driven system behave the same as in a quiescent system at an enhanced temperature, giving rise to a well-characterized effective temperature. Furthermore, this effective temperature turns out to be independent of the chosen observable and individually shows up in the thermodynamic and dynamic properties of the system. Based on this underlying theoretical understanding, we can estimate its dependence on temperature and force by the PEL-properties of the quiescent system. We furthermore critically discuss the relevance of effective temperatures obtained by scaling relations for the description of out-of-equilibrium situations.

  19. Hard rhenium–boron–cobalt amorphous alloys with a wide supercooled liquid region

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jianfeng, E-mail: jfwang316@zzu.edu.cn [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Zhu, Shijie; Wang, Liguo; Guan, Shaokang [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Li, Ran; Zhang, Tao [School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

    2015-10-01

    Novel Re–B–Co amorphous alloys with compositions of Re{sub 65−x}B{sub 35}Co{sub x} (at%, x=25, 30, 35, 40, 45, and 50) were fabricated by single-roller melt spinning. These alloys were found to exhibit a clear glass transition phenomenon. The width of supercooled liquid region (ΔT{sub x}) is in the range of 52–71 K. Such a large ΔT{sub x} allows us to produce amorphous alloy bulks by thermoplastic forming. The Vickers hardness is up to 19.10 GPa for the Re{sub 40}B{sub 35}Co{sub 25} alloy, which is close to that reported for some hard covalent crystals. Thus, the present alloys with a combination of large ΔT{sub x} and high hardness are expected to be used as a new type of structural materials. Furthermore, the relationships of hardness with glass transition temperature and Young's modulus were also discussed.

  20. Understanding the nonlinear dynamics of driven particles in supercooled liquids in terms of an effective temperature

    Science.gov (United States)

    Schroer, Carsten F. E.; Heuer, Andreas

    2015-12-01

    In active microrheology, the mechanical properties of a material are tested by adding probe particles which are pulled by an external force. In case of supercooled liquids, strong forcing leads to a thinning of the host material which becomes more pronounced as the system approaches the glass transition. In this work, we provide a quantitative theoretical description of this thinning behavior based on the properties of the Potential Energy Landscape (PEL) of a model glass-former. A key role plays the trap-like nature of the PEL. We find that the mechanical properties in the strongly driven system behave the same as in a quiescent system at an enhanced temperature, giving rise to a well-characterized effective temperature. Furthermore, this effective temperature turns out to be independent of the chosen observable and individually shows up in the thermodynamic and dynamic properties of the system. Based on this underlying theoretical understanding, we can estimate its dependence on temperature and force by the PEL-properties of the quiescent system. We furthermore critically discuss the relevance of effective temperatures obtained by scaling relations for the description of out-of-equilibrium situations.

  1. Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface

    Science.gov (United States)

    He, Xiaoxia; Shen, Yan; Hung, Francisco R.; Santiso, Erik E.

    2016-12-01

    Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim+][Cl-] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ˜85 kcal/mol to form a critical nucleus of size ˜3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (˜49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (˜3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (˜4.8 × 1011 cm-3 s-1) is about one order of magnitude faster than the homogeneous rate (˜6.6 × 1010 cm-3 s-1). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).

  2. Static and dynamic length scales in supercooled liquids: insights from molecular dynamics simulations of water and tri-propylene oxide.

    Science.gov (United States)

    Klameth, F; Henritzi, P; Vogel, M

    2014-04-14

    We perform molecular dynamics simulations to study static and dynamic length scales in molecular supercooled liquids, in particular, water. For a determination of these scales, we use equilibrium configurations and pin appropriate subsets of molecules so as to obtain random matrices, cylindrical pores, and slit confinements. Static length scales ξ(s) are determined by analyzing overlap correlation functions for various fractions of pinned molecules or distances to the confining walls. For water in all confinements and for propylene oxide trimers in random geometry, a linear increase of ξ(s) with inverse temperature is found. Dynamic length scales ξ(d) are determined by analogous analysis of fraction-dependent or position-resolved correlation times of structural relaxation. While ξ(d) continuously grows upon cooling in the cylindrical and slit confinements, we find no evidence for a temperature dependence in random matrices, implying that molecular dynamics in parsed volumes is qualitatively different from that in bulk liquids. Finally, we study possible connections between the growth of the static and dynamic length scales and the slowdown of the structural relaxation of the supercooled bulk liquids. For water, we observe a linear relation between ln τ(α) and ξ(s)²/T in the whole accessible range down to the critical temperature of mode-coupling theory, T(c). In the weakly supercooled regime, the same relation holds also for ξ(d), as obtained from cylindrical and slit confinements, but deviations from this behavior are observed near T(c). The results are discussed in connection with random first-order theory and experimental studies of liquid dynamics in nanoscopic confinements and binary mixtures.

  3. Communication: Towards first principles theory of relaxation in supercooled liquids formulated in terms of cooperative motion.

    Science.gov (United States)

    Freed, Karl F

    2014-10-14

    A general theory of the long time, low temperature dynamics of glass-forming fluids remains elusive despite the almost 20 years since the famous pronouncement by the Nobel Laureate P. W. Anderson, "The deepest and most interesting unsolved problem in solid state theory is probably the theory of the nature of glass and the glass transition" [Science 267, 1615 (1995)]. While recent work indicates that Adam-Gibbs theory (AGT) provides a framework for computing the structural relaxation time of supercooled fluids and for analyzing the properties of the cooperatively rearranging dynamical strings observed in low temperature molecular dynamics simulations, the heuristic nature of AGT has impeded general acceptance due to the lack of a first principles derivation [G. Adam and J. H. Gibbs, J. Chem. Phys. 43, 139 (1965)]. This deficiency is rectified here by a statistical mechanical derivation of AGT that uses transition state theory and the assumption that the transition state is composed of elementary excitations of a string-like form. The strings are assumed to form in equilibrium with the mobile particles in the fluid. Hence, transition state theory requires the strings to be in mutual equilibrium and thus to have the size distribution of a self-assembling system, in accord with the simulations and analyses of Douglas and co-workers. The average relaxation rate is computed as a grand canonical ensemble average over all string sizes, and use of the previously determined relation between configurational entropy and the average cluster size in several model equilibrium self-associating systems produces the AGT expression in a manner enabling further extensions and more fundamental tests of the assumptions.

  4. Non-contact property measurements of liquid and supercooled ceramics with a hybrid electrostatic-aerodynamic levitation furnace

    OpenAIRE

    Ishikawa, Takehiko; Yoda, Shinichi; Paradis, Paul-Francois; 石川 毅彦; 依田 真一

    2005-01-01

    The use of an hybrid pressurized electrostatic-aerodynamic levitation furnace and procedures developed by the Japan Aerospace Exploration Agency overcame the contamination problems associated with the processing of ceramics under extreme temperature conditions. This made possible property measurements over wide temperature ranges that cover the superheated as well as the supercooled states. In this study, samples of various ceramics were levitated and their densities were found as a function ...

  5. Volume of supercooled water under pressure and the liquid-liquid critical point.

    Science.gov (United States)

    Mishima, Osamu

    2010-10-14

    The volume of water (H(2)O) was obtained at about 200-275 K and 40-400 MPa by using emulsified water. The plot of volume against temperature showed slightly concave-downward curvature at pressures higher than ≈200 MPa. This is compatible with the liquid-liquid critical-point hypothesis, but hardly with the singularity-free scenario. When the critical point is assumed to exist at ≈50 MPa and ≈223 K, the experimental volume and the derived compressibility are qualitatively described by the modified Fuentevilla-Anisimov scaling equation.

  6. Elemental and cooperative diffusion in a liquid, supercooled liquid and glass resolved

    Science.gov (United States)

    Cassar, Daniel R.; Lancelotti, Ricardo F.; Nuernberg, Rafael; Nascimento, Marcio L. F.; Rodrigues, Alisson M.; Diz, Luiza T.; Zanotto, Edgar D.

    2017-07-01

    The diffusion mechanisms controlling viscous flow, structural relaxation, liquid-liquid phase separation, crystal nucleation, and crystal growth in multicomponent glass-forming liquids are of great interest and relevance in physics, chemistry, materials, and glass science. However, the diffusing entities that control each of these important dynamic processes are still unknown. The main objective of this work is to shed some light on this mystery, advancing the knowledge on this phenomenon. For that matter, we measured the crystal growth rates, the viscosity, and lead diffusivities in PbSiO3 liquid and glass in a wide temperature range. We compared our measured values with published data covering 16 orders of magnitude. We suggest that above a certain temperature range Td (1.2Tg-1.3Tg), crystal growth and viscous flow are controlled by the diffusion of silicon and lead. Below this temperature, crystal growth and viscous flow are more sluggish than the diffusion of silicon and lead. Therefore, Td marks the temperature where decoupling between the (measured) cationic diffusivity and the effective diffusivities calculated from viscosity and crystal growth rates occurs. We reasonably propose that the nature or size of the diffusional entities controlling viscous flow and crystal growth below Td is quite different; the slowest is the one controlling viscous flow, but both processes require cooperative movements of some larger structural units rather than jumps of only one or a few isolated atoms.

  7. Predicting How Nanoconfinement Changes the Relaxation Time of a Supercooled Liquid

    DEFF Research Database (Denmark)

    Ingebrigtsen, Trond; Errington, Jeff; Truskett, Tom;

    2013-01-01

    asymmetric dumbbell-shaped molecules, which can be deeply supercooled without crystallizing. We find that the dimensionless structural relaxation times—spanning six decades as a function of temperature, density, and degree of confinement—collapse when plotted versus excess entropy. The data also collapse...

  8. Dynamics of supercooled liquid and plastic crystalline ethanol: Dielectric relaxation and AC nanocalorimetry distinguish structural α- and Debye relaxation processes

    Science.gov (United States)

    Chua, Y. Z.; Young-Gonzales, A. R.; Richert, R.; Ediger, M. D.; Schick, C.

    2017-07-01

    Physical vapor deposition has been used to prepare glasses of ethanol. Upon heating, the glasses transformed into the supercooled liquid phase and then crystallized into the plastic crystal phase. The dynamic glass transition of the supercooled liquid is successfully measured by AC nanocalorimetry, and preliminary results for the plastic crystal are obtained. The frequency dependences of these dynamic glass transitions observed by AC nanocalorimetry are in disagreement with conclusions from previously published dielectric spectra of ethanol. Existing dielectric loss spectra have been carefully re-evaluated considering a Debye peak, which is a typical feature in the dielectric loss spectra of monohydroxy alcohols. The re-evaluated dielectric fits reveal a prominent dielectric Debye peak, a smaller and asymmetrically broadened peak, which is identified as the signature of the structural α-relaxation and a Johari-Goldstein secondary relaxation process. This new assignment of the dielectric processes is supported by the observation that the AC nanocalorimetry dynamic glass transition temperature, Tα, coincides with the dielectric structural α-relaxation process rather than the Debye process. The combined results from dielectric spectroscopy and AC nanocalorimetry on the plastic crystal of ethanol suggest the occurrence of a Debye process also in the plastic crystal phase.

  9. Mixed quantum/classical approach to OH-stretch inelastic incoherent neutron scattering spectroscopy for ambient and supercooled liquid water and ice Ih

    Energy Technology Data Exchange (ETDEWEB)

    Shi, L.; Skinner, J. L. [Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 (United States)

    2015-07-07

    OH-stretch inelastic incoherent neutron scattering (IINS) has been measured to determine the vibrational density of states (VDOS) in the OH-stretch region for liquid water, supercooled water, and ice Ih, providing complementary information to IR and Raman spectroscopies about hydrogen bonding in these phases. In this work, we extend the combined electronic-structure/molecular-dynamics (ES/MD) method, originally developed by Skinner and co-workers to simulate OH-stretch IR and Raman spectra, to the calculation of IINS spectra with small k values. The agreement between theory and experiment in the limit k → 0 is reasonable, further validating the reliability of the ES/MD method in simulating OH-stretch spectroscopy in condensed phases. The connections and differences between IINS and IR spectra are analyzed to illustrate the advantages of IINS over IR in estimating the OH-stretch VDOS.

  10. Possible Evidence for a New Form of Liquid Buried in the Surface Tension of Supercooled Water

    Science.gov (United States)

    Rogers, T. Ryan; Leong, Kai-Yang; Wang, Feng

    2016-09-01

    Contrary to the historical data, several recent experiments indicate that the surface tension of supercooled water follows a smooth extrapolation of the IAPWS equation in the supercooled regime. It can be seen, however, that a small deviation from the IAPWS equation is present in the recent experimental measurements. It is shown with simulations using the WAIL water potential that the small deviation in the experimental data is consistent with the tail of an exponential growth in surface tension as temperature decreases. The emergence temperature, Te, of a substantial deviation from the IAPWS equation is shown to be 227 K for the WAIL water and 235 K for real water. Since the 227 K Te is close to the Widom line in WAIL water, we argue that real water at 235 K approaches a similar crossover line at one atmospheric pressure.

  11. Hydrodynamic states in water below the temperature of the density maximum: the limit to supercooling

    NARCIS (Netherlands)

    van der Elsken, J.; van Boom, L.; Bot, A.

    1988-01-01

    Spectra of fluctuations in the total intensity of laser light deflected by supercooled water show that even under carefully controlled conditions large samples give convection when cooled below -0%. This is in agreement with the Rayleigh versus Prandtlnumber relation for supercooled water.

  12. The Common Occurrence of Highly Supercooled Drizzle and Rain near the Coastal Regions of the Western United States

    Energy Technology Data Exchange (ETDEWEB)

    Rosenfeld, Daniel; Chemke, Rei; DeMott, Paul J.; Sullivan, Ryan C.; Rasmussen, R M.; McDonough, Frank; Comstock, Jennifer M.; Schmid, Beat; Tomlinson, Jason M.; Jonsson, Haf; Suski, Kaitlyn; Cazorla, Alberto; Prather, Kimberly

    2013-09-05

    The formation of highly supercooled rain was documented by aircraft observations in clouds at a wide range of conditions near the coastal region of the western United States. Several case studies are described in detail using combined cloud and aerosol measurements to document both the highly super-cooled condition and the relatively pristine aerosol conditions under which it forms. The case studies include: (1) Marine convective clouds over the coastal waters of northern California, as measured by cloud physics probes flown on a Gulfstream-1 aircraft during the CALWATER campaign in February and early March 2011. The clouds had extensive drizzle in their tops, which extended downward to the 0°C isotherm as supercooled rain. Ice multiplication was observed only in mature parts of the clouds where cloud water was already depleted. (2) Orographically triggered convective clouds in marine air mass over the foothills of the Sierra Nevada to the east of Sacramento, as measured in CALWATER. Supercooled rain was observed down to -21°C. No indications for ice multiplication were evident. (3) Orographic layer clouds over Yosemite National Park, also measured in CALWATER. The clouds had extensive drizzle at -21°C, which intensified with little freezing lower in the cloud, and (4) Supercooled drizzle drops in layer clouds near Juneau, Alaska, as measured by the Wyoming King Air as part of a FAA project to study aircraft icing in this region. Low concentrations of CCN was a common observation in all these clouds, allowing for the formation of clouds with small concentration of large drops that coalesced into supercooled drizzle and raindrops. Another common observation was the absence of ice nuclei and/or ice crystals in measurable concentrations was associated with the persistent supercooled drizzle and rain. Average ice crystal concentrations were 0.007 l-1 at the top of convective clouds at -12°C and 0.03 l-1 in the case of layer clouds at -21°C. In combination these

  13. Volumetric properties of magnesium silicate glasses and supercooled liquid at high pressure by X-ray microtomography

    Energy Technology Data Exchange (ETDEWEB)

    Lesher, Charles E.; Wang, Yanbin; Gaudio, Sarah; Clark, Alisha; Nishiyama, Nori; Rivers, Mark; (UCD); (UC)

    2009-06-01

    The volumetric properties of silicate glasses and supercooled liquid are examined at high pressures and temperatures using X-ray computed tomography (CT) and absorption. The high pressure X-ray microtomography (HPXMT) system at the Advanced Photon Source, Argonne National Laboratory (GeoSoilEnvironCARS 13-BM-D beamline) consists of two opposing anvils compressed within an X-ray-transparent containment ring supported by thrust bearings and loaded using a 250-ton hydraulic press. This system permits the pressure cell to rotate under the load, while collecting radiographs through at least 180{sup o} of rotation. The 13-BM-D beamline permits convenient switching between monochromatic radiation required for radiography and polychromatic radiation for pressure determination by energy dispersive diffraction. We report initial results on several refractory magnesium silicate glasses synthesized by levitation laser heating. Volume changes during room temperature compression of Mg-silicate glasses with 33 mol% and 38 mol% SiO2 up to 11.5 GPa give an isothermal bulk moduli of 93--100 GPa for a K' of 1. These values are consistent with ultrasonic measurements of more silica-rich glasses. The volumetric properties of amorphous MgSiO{sub 3} at 2 GPa were examined during annealing up to 1000 C. We consider the consequences of heating through the glass transition and the implications for thermal expansivity of supercooled liquids at high pressure. Our results illustrate the capabilities of HPXMT for studies of refractory glasses and liquids at high pressure and offer strategies for future studies of liquid densities within the melting interval for magmas in planet interiors.

  14. Structural basis for supercooled liquid fragility established by synchrotron-radiation method and computer simulation

    Energy Technology Data Exchange (ETDEWEB)

    Louzguine-Luzgin, D. V.; Inoue, A. [WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan); Belosludov, R.; Kawazoe, Y. [Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan); Yavari, A. R. [WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan); SIMAP-LTPCM, Institut National Polytechnique de Grenoble, St-Martin-d' Heres Campus, Grenoble, BP 75, 38402 (France); European Synchrotron Radiation Facility, 38042, Grenoble (France); Georgarakis, K. [WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan); SIMAP-LTPCM, Institut National Polytechnique de Grenoble, St-Martin-d' Heres Campus, Grenoble, BP 75, 38402 (France); Vaughan, G. [European Synchrotron Radiation Facility, 38042, Grenoble (France); Egami, T. [Joint Institute for Neutron Sciences, Department of Materials Science and Engineering and Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996 (United States); Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan)

    2011-08-15

    Metallic melts above the liquidus temperature exhibit nearly Arrhenius-type temperature dependence of viscosity. On cooling below the equilibrium liquidus temperature metallic melts exhibit a non-Arrhenius temperature dependence of viscosity characterized by liquid fragility phenomenon which origin is still not well understood. Structural changes and vitrification of the Pd{sub 42.5}Cu{sub 30}Ni{sub 7.5}P{sub 20} liquid alloy on cooling from above the equilibrium liquidus temperature are studied by synchrotron radiation X-ray diffraction and compared with the results of first-principles calculations. Subsequent analysis of the atomic and electronic structure of the alloy in liquid and glassy states reveals formation of chemical short-range order in the temperature range corresponding to such a non-Arrhenius behavior. The first-principles calculations were applied to confirm the experimental findings.

  15. Peculiar thermodynamics of the second critical point in supercooled water.

    Science.gov (United States)

    Bertrand, C E; Anisimov, M A

    2011-12-08

    On the basis of the principle of critical-point universality, we examine the peculiar thermodynamics of the liquid-liquid critical point in supercooled water. We show that the liquid-liquid criticality in water represents a special kind of critical behavior in fluids, intermediate between two limiting cases: the lattice gas, commonly used to model liquid-vapor transitions, and the lattice liquid, a weakly compressible liquid with an entropy-driven phase separation. While the ordering field in the lattice gas is associated with the chemical potential and the order parameter with the density, in the lattice liquid the ordering field is the temperature and the order parameter is the entropy. The behavior of supercooled water is much closer to lattice-liquid behavior than to lattice-gas behavior. Using new experimental data recently obtained by Mishima [J. Chem. Phys. 2010, 133, 144503], we have revised the parametric scaled equation of state, previously suggested by Fuentevilla and Anisimov [Phys. Rev. Lett. 2006, 97, 195702], and obtain a consistent description of the thermodynamic anomalies of supercooled water by adjusting linear backgrounds, one critical amplitude, and the critical pressure. We also show how the lattice-liquid description affects the finite-size scaling description of supercooled water in confined media.

  16. Liquid-liquid transition in supercooled aqueous solution involving a low-temperature phase similar to low-density amorphous water

    CERN Document Server

    Woutersen, Sander; Zhao, Zuofeng; Angell, C Austen

    2016-01-01

    The striking anomalies in physical properties of supercooled water that were discovered in the 1960-70s, remain incompletely understood and so provide both a source of controversy amongst theoreticians, and a stimulus to experimentalists and simulators to find new ways of penetrating the "crystallization curtain" that effectively shields the problem from solution. Recently a new door on the problem was opened by showing that, in ideal solutions, made using ionic liquid solutes, water anomalies are not destroyed as earlier found for common salt and most molecular solutes, but instead are enhanced to the point of precipitating an apparently first order liquid-liquid transition. The evidence was a spike in apparent heat capacity during cooling that could be fully reversed during reheating before any sign of ice crystallization appeared. Here, we use decoupled-oscillator infrared spectroscopy to define the structural character of this phenomenon using similar down and upscan rates as in the calorimetric study. Th...

  17. Workability of the supercooled liquid in the Zr{sub 65}Al{sub 10}Ni{sub 10}Cu{sub 15} bulk metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Kawamura, Y.; Shibata, T.; Inoue, A.; Masumoto, T. [Tohoku Univ., Sendai (Japan). Inst. for Materials Research

    1997-12-19

    The workability of the supercooled liquid in metallic glass has been examined through the extrusion of a Zr{sub 6.5}Al{sub 10}Ni{sub 10}Cu{sub 15} at.% bulk glassy alloy with a wide supercooled liquid region. The metallic glass exhibited superplastic-like deformation behavior at high strain rates, resulting in an excellent workability. The working throughout a wide range of extrusion conditions was compatible with retaining the glass phase and the original strength. The extrusion maps and the expression between extrusion temperature, pressure and ram-speed have been established. Moreover, the features of working such as the Barus effect and the advantage of a small stepwise increase in strain rate have been revealed.

  18. Using Peltier Cells to Study Solid-Liquid-Vapour Transitions and Supercooling

    Science.gov (United States)

    Torzo, Giacomo; Soletta, Isabella; Branca, Mario

    2007-01-01

    We propose an apparatus for teaching experimental thermodynamics in undergraduate introductory courses, using thermoelectric modules and a real-time data acquisition system. The device may be made at low cost, still providing an easy approach to the investigation of liquid-solid and liquid-vapour phase transitions and of metastable states…

  19. Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography

    NARCIS (Netherlands)

    Haftka, J.J.H.; Parsons, J.R.; Govers, H.A.J.

    2006-01-01

    A gas chromatographic method using Kovats retention indices has been applied to determine the liquid vapour pressure (P-i), enthalpy of vaporization (Delta H-i) and difference in heat capacity between gas and liquid phase (Delta C-i) for a group of polycyclic aromatic hydrocarbons (PAHs). This group

  20. Towards 3D prediction of supercooled liquid water for aircraft icing: Modifications of the microphysics in COSMO-EU

    Directory of Open Access Journals (Sweden)

    Felix Köhler

    2014-09-01

    Full Text Available Supercooled liquid water (SLW in the atmosphere is responsible for aircraft icing which can cause severe accidents. To date, the microphysics scheme in the model of the Deutscher Wetterdienst (DWD for the European scale (COSMO-EU; due to be replaced by ICON-EU in 2015 has been optimised to forecast precipitation on the ground but not the water phase in the atmosphere. As a consequence, prediction of SLW is rather poor, as was shown in a series of case studies by the Aeronautical Meteorology department at DWD. ADWICE – the tool used by the DWD to predict aircraft icing – therefore does not rely on COSMO model SLW output, but predicts SLW by itself using a simple parcel method. In an effort to improve ADWICE it has been found that this algorithm has its limits and that it should be replaced by SLW prediction from a 3D weather prediction model. To this end it is necessary to improve the SLW prediction in the COSMO model. In this paper we analyse the microphysics scheme of COSMO-EU with respect to SLW production and depletion and present modifications that greatly improve SLW prediction. As reference for two case studies we use radar-lidar-radiometer products from the Meteorological Observatory Lindenberg to verify the change in SLW prediction.

  1. Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities

    Science.gov (United States)

    Banerjee, Atreyee; Nandi, Manoj Kumar; Sastry, Srikanth; Bhattacharyya, Sarika Maitra

    2016-07-01

    In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in this paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density.

  2. QSPR study of supercooled liquid vapour pressures of PBDEs by using molecular distance-edge vector index

    Directory of Open Access Journals (Sweden)

    Jiao Long

    2015-01-01

    Full Text Available The quantitative structure property relationship (QSPR for supercooled liquid vapour pressures (PL of PBDEs was investigated. Molecular distance-edge vector (MDEV index was used as the structural descriptor. The quantitative relationship between the MDEV index and lgPL was modeled by using multivariate linear regression (MLR and artificial neural network (ANN respectively. Leave-one-out cross validation and k-fold cross validation were carried out to assess the prediction ability of the developed models. For the MLR method, the prediction root mean square relative error (RMSRE of leave-one-out cross validation and k-fold cross validation is 9.95 and 9.05 respectively. For the ANN method, the prediction RMSRE of leave-one-out cross validation and k-fold cross validation is 8.75 and 8.31 respectively. It is demonstrated the established models are practicable for predicting the lgPL of PBDEs. The MDEV index is quantitatively related to the lgPL of PBDEs. MLR and L-ANN are practicable for modeling this relationship. Compared with MLR, ANN shows slightly higher prediction accuracy. Subsequently, an MLR model, which regression equation is lgPL = 0.2868 M11 - 0.8449 M12 - 0.0605, and an ANN model, which is a two inputs linear network, were developed. The two models can be used to predict the lgPL of each PBDE.

  3. Quark-gluon plasma freeze-out from a supercooled state?

    CERN Document Server

    Csörgö, T

    1994-01-01

    The quark-gluon plasma, formed in the first 3 fm/c of the heavy ion collisions at RHIC and LHC, supercooles due to nucleation and develops soon a negative pressure in the bag model. The negative pressure yields mechanical instability which may lead to a sudden timelike deflagration to a (super)heated hadron gas. The resulting freeze-out times are shorter than those of the standard nucleation scenario.

  4. Crystallization of Supercooled Liquid Elements Induced by Superclusters Containing Magic Atom Numbers

    Directory of Open Access Journals (Sweden)

    Robert F. Tournier

    2014-08-01

    Full Text Available A few experiments have detected icosahedral superclusters in undercooled liquids. These superclusters survive above the crystal melting temperature Tm because all their surface atoms have the same fusion heat as their core atoms, and are melted by liquid homogeneous and heterogeneous nucleation in their core, depending on superheating time and temperature. They act as heterogeneous growth nuclei of crystallized phase at a temperature Tc of the undercooled melt. They contribute to the critical barrier reduction, which becomes smaller than that of crystals containing the same atom number n. After strong superheating, the undercooling rate is still limited because the nucleation of 13-atom superclusters always reduces this barrier, and increases Tc above a homogeneous nucleation temperature equal to Tm/3 in liquid elements. After weak superheating, the most stable superclusters containing n = 13, 55, 147, 309 and 561 atoms survive or melt and determine Tc during undercooling, depending on n and sample volume. The experimental nucleation temperatures Tc of 32 liquid elements and the supercluster melting temperatures are predicted with sample volumes varying by 18 orders of magnitude. The classical Gibbs free energy change is used, adding an enthalpy saving related to the Laplace pressure change associated with supercluster formation, which is quantified for n = 13 and 55.

  5. Glass-forming ability of TeO{sub 2} and temperature induced changes on the structure of the glassy, supercooled, and molten states

    Energy Technology Data Exchange (ETDEWEB)

    Kalampounias, A. G., E-mail: angelos@chemeng.upatras.gr [Department of Chemistry, University of Ioannina, GR-45110 Ioannina (Greece); Institute of Chemical Engineering Sciences (FORTH-ICE/HT), Foundation for Research and Technology Hellas, P.O. Box 1414, GR-26504 Patras (Greece); Tsilomelekis, G.; Boghosian, S. [Department of Chemical Engineering, University of Patras, P.O. Box 1414, GR-26504 Patras (Greece); Institute of Chemical Engineering Sciences (FORTH-ICE/HT), Foundation for Research and Technology Hellas, P.O. Box 1414, GR-26504 Patras (Greece)

    2015-04-21

    Polarized (VV) and depolarized (VH) Raman spectra are obtained for glassy, supercooled, and molten TeO{sub 2} at temperatures up to 1000 K in order to elucidate the temperature evolution of the pertinent structural and vibrational properties. The intrinsic tendency of the system for crystallization is avoided by means of a newly applied protocol, thereby enabling the recording of Raman spectra of pure TeO{sub 2} on going from the molten to the supercooled liquid and to the room temperature glass states. Following an appropriate fitting procedure, the revealed bands are assigned to specific modes of structural polymorphs. A weak polarised band at ∼880 cm{sup −1} is assigned to Te=O terminal stretching in agreement with the literature ab initio molecular orbital calculations. Subtle changes to the relative band intensities within the 550-900 cm{sup −1} stretching region are caused by temperature increase. The network-like structure of the glass/melt is composed by TeO{sub 4} trigonal bipyramid and TeO{sub 3} trigonal pyramid units. With increasing temperature, TeO{sub 4} units convert to TeO{sub 3} units with a concurrent increase in the number of Te=O sites resulting from cleavages within the network structure. The fraction of such terminal oxygen atoms has been directly estimated from the spectroscopic data. The relative populations of the basic building blocks and the average number of O atoms around Te have been estimated for a wide temperature range directly from the Raman spectra, implying a gradual transformation of TeO{sub 4/2} to TeO{sub 2/2}(= O) trigonal pyramid units. The results are discussed in the context of the current phenomenological and theoretical status of the field.

  6. Metal-organic frameworks as host materials of confined supercooled liquids.

    Science.gov (United States)

    Fischer, J K H; Sippel, P; Denysenko, D; Lunkenheimer, P; Volkmer, D; Loidl, A

    2015-10-21

    In this work, we examine the use of metal-organic framework (MOF) systems as host materials for the investigation of glassy dynamics in confined geometry. We investigate the confinement of the molecular glass former glycerol in three MFU-type MOFs with different pore sizes (MFU stands for "Metal-Organic Framework Ulm-University") and study the dynamics of the confined liquid via dielectric spectroscopy. In accord with previous reports on confined glass formers, we find different degrees of deviations from bulk behavior depending on pore size, demonstrating that MOFs are well-suited host systems for confinement investigations.

  7. Thermal conductivity of supercooled water.

    Science.gov (United States)

    Biddle, John W; Holten, Vincent; Sengers, Jan V; Anisimov, Mikhail A

    2013-04-01

    The heat capacity of supercooled water, measured down to -37°C, shows an anomalous increase as temperature decreases. The thermal diffusivity, i.e., the ratio of the thermal conductivity and the heat capacity per unit volume, shows a decrease. These anomalies may be associated with a hypothesized liquid-liquid critical point in supercooled water below the line of homogeneous nucleation. However, while the thermal conductivity is known to diverge at the vapor-liquid critical point due to critical density fluctuations, the thermal conductivity of supercooled water, calculated as the product of thermal diffusivity and heat capacity, does not show any sign of such an anomaly. We have used mode-coupling theory to investigate the possible effect of critical fluctuations on the thermal conductivity of supercooled water and found that indeed any critical thermal-conductivity enhancement would be too small to be measurable at experimentally accessible temperatures. Moreover, the behavior of thermal conductivity can be explained by the observed anomalies of the thermodynamic properties. In particular, we show that thermal conductivity should go through a minimum when temperature is decreased, as Kumar and Stanley observed in the TIP5P model of water. We discuss physical reasons for the striking difference between the behavior of thermal conductivity in water near the vapor-liquid and liquid-liquid critical points.

  8. Supercooled Liquid Water Content Instrument Analysis and Winter 2014 Data with Comparisons to the NASA Icing Remote Sensing System and Pilot Reports

    Science.gov (United States)

    King, Michael C.

    2016-01-01

    The National Aeronautics and Space Administration (NASA) has developed a system for remotely detecting the hazardous conditions leading to aircraft icing in flight, the NASA Icing Remote Sensing System (NIRSS). Newly developed, weather balloon-borne instruments have been used to obtain in-situ measurements of supercooled liquid water during March 2014 to validate the algorithms used in the NIRSS. A mathematical model and a processing method were developed to analyze the data obtained from the weather balloon soundings. The data from soundings obtained in March 2014 were analyzed and compared to the output from the NIRSS and pilot reports.

  9. A highly modular beamline electrostatic levitation facility, optimized for in situ high-energy x-ray scattering studies of equilibrium and supercooled liquids.

    Science.gov (United States)

    Mauro, N A; Kelton, K F

    2011-03-01

    High-energy x-ray diffraction studies of metallic liquids provide valuable information about structural evolution on the atomic length scale, leading to insights into the origin of the nucleation barrier and the processes of supercooling and glass formation. The containerless processing of the beamline electrostatic levitation (BESL) facility allows coordinated thermophysical and structural studies of equilibrium and supercooled liquids to be made in a contamination-free, high-vacuum (∼10(-8) Torr) environment. To date, the incorporation of electrostatic levitation facilities into synchrotron beamlines has been difficult due to the large footprint of the apparatus and the difficulties associated with its transportation and implementation. Here, we describe a modular levitation facility that is optimized for diffraction studies of high-temperature liquids at high-energy synchrotron beamlines. The modular approach used in the apparatus design allows it to be easily transported and quickly setup. Unlike most previous electrostatic levitation facilities, BESL can be operated by a single user instead of a user team.

  10. Transport properties of supercooled confined water

    Science.gov (United States)

    Mallamace, F.; Branca, C.; Broccio, M.; Corsaro, C.; Gonzalez-Segredo, N.; Spooren, J.; Stanley, H. E.; Chen, S.-H.

    2008-07-01

    This article presents an overview of recent experiments performed on transport properties of water in the deeply supercooled region, a temperature region of fundamental importance in the science of water. We report data of nuclear magnetic resonance, quasi-elastic neutron scattering, Fourier-transform infrared spectroscopy, and Raman spectroscopy, studying water confined in nanometer-scale environments. When contained within small pores, water does not crystallise, and can be supercooled well below its homogeneous nucleation temperature Th. On this basis it is possible to carry out a careful analysis of the well known thermodynamical anomalies of water. Studying the temperature and pressure dependencies of water dynamics, we show that the liquid-liquid phase transition (LLPT) hypothesis represents a reliable model for describing liquid water. In this model, water in the liquid state is a mixture of two different local structures, characterised by different densities, namely the low density liquid (LDL) and the high-density liquid (HDL). The LLPT line should terminate at a special transition point: a low-T liquid-liquid critical point. We discuss the following experimental findings on liquid water: (i) a crossover from non-Arrhenius behaviour at high T to Arrhenius behaviour at low T in transport parameters; (ii) a breakdown of the Stokes-Einstein relation; (iii) the existence of a Widom line, which is the locus of points corresponding to maximum correlation length in the p-T phase diagram and which ends in the liquid-liquid critical point; (iv) the direct observation of the LDL phase; (v) a minimum in the density at approximately 70 K below the temperature of the density maximum. In our opinion these results represent the experimental proofs of the validity of the LLPT hypothesis.

  11. THERMOTROPIC LIQUID CRYSTALLINE COPOLYESTERS-SOLID STATE POLYMORPHISM

    Institute of Scientific and Technical Information of China (English)

    XIE ping; LU Daohui; BAO Jingsheng

    1988-01-01

    This paper offers some new evidence on the polymorphism of solid state of liquid crystalline aromatic copolyesters which were prepared in our laboratory. The effects of different treatment conditions(quenching and annealing) on solid structure have been examined mainly by DSC and X-ray diffraction. The discussion focuses on the supercooled mesophase and low temperature solid-solid transition, the shifting of double melting peaks of annealed samples and the changing of their △H data depending on the treatment temperature, time and thermal scanning rate.

  12. Super-cooled liquid water topped sub-arctic clouds and precipitation - investigation based on combination of ground-based in-situ and remote-sensing observations

    Science.gov (United States)

    Hirsikko, Anne; Brus, David; O'Connor, Ewan J.; Filioglou, Maria; Komppula, Mika; Romakkaniemi, Sami

    2017-04-01

    In the high and mid latitudes super-cooled liquid water layers are frequently observed on top of clouds. These layers are difficult to forecast with numerical weather prediction models, even though, they have strong influence on atmospheric radiative properties, cloud microphysical properties, and subsequently, precipitation. This work investigates properties of super-cooled liquid water layer topped sub-arctic clouds and precipitation observed with ground-based in-situ (cloud probes) and remote-sensing (a cloud radar, Doppler and multi-wavelength lidars) instrumentation during two-month long Pallas Cloud Experiment (PaCE 2015) in autumn 2015. Analysis is based on standard Cloudnet scheme supplemented with new retrieval products of the specific clouds and their properties. Combination of two scales of observation provides new information on properties of clouds and precipitation in the sub-arctic Pallas region. Current status of results will be presented during the conference. The authors acknowledge financial support by the Academy of Finland (Centre of Excellence Programme, grant no 272041; and ICINA project, grant no 285068), the ACTRIS2 - European Union's Horizon 2020 research and innovation programme under grant agreement No 654109, the KONE foundation, and the EU FP7 project BACCHUS (grant no 603445).

  13. Predictive Model of Supercooled Water Droplet Pinning/Repulsion Impacting a Superhydrophobic Surface: The Role of the Gas-Liquid Interface Temperature.

    Science.gov (United States)

    Mohammadi, Morteza; Tembely, Moussa; Dolatabadi, Ali

    2017-02-28

    Dynamical analysis of an impacting liquid drop on superhydrophobic surfaces is mostly carried out by evaluating the droplet contact time and maximum spreading diameter. In this study, we present a general transient model of the droplet spreading diameter developed from the previously defined mass-spring model for bouncing drops. The effect of viscosity was also considered in the model by definition of a dash-pot term extracted from experiments on various viscous liquid droplets on a superhydrophobic surface. Furthermore, the resultant shear force of the stagnation air flow was also considered with the help of the classical Homann flow approach. It was clearly shown that the proposed model predicts the maximum spreading diameter and droplet contact time very well. On the other hand, where stagnation air flow is present in contradiction to the theoretical model, the droplet contact time was reduced as a function of both droplet Weber numbers and incoming air velocities. Indeed, the reduction in the droplet contact time (e.g., 35% at a droplet Weber number of up to 140) was justified by the presence of a formed thin air layer underneath the impacting drop on the superhydrophobic surface (i.e., full slip condition). Finally, the droplet wetting model was also further developed to account for low temperature through the incorporation of classical nucleation theory. Homogeneous ice nucleation was integrated into the model through the concept of the reduction of the supercooled water drop surface tension as a function of the gas-liquid interface temperature, which was directly correlated with the Nusselt number of incoming air flow. It was shown that the experimental results was qualitatively predicted by the proposed model under all supercooling conditions (i.e., from -10 to -30 °C).

  14. Crystallization Behavior and Relaxation Dynamics of Supercooled S‑Ketoprofen and the Racemic Mixture along an Isochrone

    DEFF Research Database (Denmark)

    Adrjanowicz, Karolina; Kaminski, Kamil; Paluch, Marian

    2015-01-01

    In this paper, we study crystallization behavior and molecular dynamics in the supercooled liquid state of the pharmaceutically important compound ketoprofen at various thermodynamic conditions. Dielectric relaxation for a racemic mixture was investigated in a wide range of temperatures and press......In this paper, we study crystallization behavior and molecular dynamics in the supercooled liquid state of the pharmaceutically important compound ketoprofen at various thermodynamic conditions. Dielectric relaxation for a racemic mixture was investigated in a wide range of temperatures...... of pure enantiomers and their 50–50 equimolar mixture in the metastable supercooled liquid state. Crystallization kinetic studies revealed that at the same isochronal conditions the behavior of the S-enantiomer and R,S-racemic mixture of ketoprofen is entirely different. This was examined in the context...

  15. Evidence for a liquid-liquid critical point in supercooled water within the E3B3 model and a possible interpretation of the kink in the homogeneous nucleation line

    Science.gov (United States)

    Ni, Yicun; Skinner, J. L.

    2016-06-01

    Supercooled water exhibits many thermodynamic anomalies, and several scenarios have been proposed to interpret them, among which the liquid-liquid critical point (LLCP) hypothesis is the most commonly discussed. We investigated Widom lines and the LLCP of deeply supercooled water, by using molecular dynamics simulation with a newly reparameterized water model that explicitly includes three-body interactions. Seven isobars are studied from ambient pressure to 2.5 kbar, and Widom lines are identified by calculating maxima in the coefficient of thermal expansion and the isothermal compressibility (both with respect to temperature). From these data we estimate that the LLCP of the new water model is at 180 K and 2.1 kbar. The oxygen radial distribution function is calculated along the 2 kbar isobar. It shows a steep change in the height of its second peak between 180 and 185 K, which indicates a transition between the high-density liquid and low-density liquid phases and which is consistent with the ascribed location of the critical point. The good agreement of the height of the second peak of the radial distribution function between simulation and experiment at 1 bar, as a function of temperature, supports the validity of the model. The location of the LLCP within the model is close to the kink in the experimental homogeneous nucleation line. We use existing experimental data to argue that the experimental LLCP is at 168 K and 1.95 kbar and speculate how this LLCP and its Widom line might be responsible for the kink in the homogeneous nucleation line.

  16. Evidence for a liquid-liquid critical point in supercooled water within the E3B3 model and a possible interpretation of the kink in the homogeneous nucleation line.

    Science.gov (United States)

    Ni, Yicun; Skinner, J L

    2016-06-07

    Supercooled water exhibits many thermodynamic anomalies, and several scenarios have been proposed to interpret them, among which the liquid-liquid critical point (LLCP) hypothesis is the most commonly discussed. We investigated Widom lines and the LLCP of deeply supercooled water, by using molecular dynamics simulation with a newly reparameterized water model that explicitly includes three-body interactions. Seven isobars are studied from ambient pressure to 2.5 kbar, and Widom lines are identified by calculating maxima in the coefficient of thermal expansion and the isothermal compressibility (both with respect to temperature). From these data we estimate that the LLCP of the new water model is at 180 K and 2.1 kbar. The oxygen radial distribution function is calculated along the 2 kbar isobar. It shows a steep change in the height of its second peak between 180 and 185 K, which indicates a transition between the high-density liquid and low-density liquid phases and which is consistent with the ascribed location of the critical point. The good agreement of the height of the second peak of the radial distribution function between simulation and experiment at 1 bar, as a function of temperature, supports the validity of the model. The location of the LLCP within the model is close to the kink in the experimental homogeneous nucleation line. We use existing experimental data to argue that the experimental LLCP is at 168 K and 1.95 kbar and speculate how this LLCP and its Widom line might be responsible for the kink in the homogeneous nucleation line.

  17. Experimental investigations on heat content of supercooled sodium acetate trihydrate by a simple heat loss method

    DEFF Research Database (Denmark)

    Kong, Weiqiang; Dannemand, Mark; Johansen, Jakob Berg

    2016-01-01

    Sodium acetate trihydrate is a phase change material that can be used for long term heat storage in solar heating systems because of its relatively high heat of fusion, a melting temperature of 58 °C and its ability to supercool stable. In practical applications sodium acetate trihydrate tend...... to suffer from phase separation which is the phenomenon where anhydrous salt settles to the bottom over time. This happens especially in supercooled state. The heat released from the crystallization of supercooled sodium acetate trihydrate with phase separation will be lower than the heat released from...... sodium acetate trihydrate without phase separation. Possible ways of avoiding or reducing the problem of phase separation were investigated. A wide variety of composites of sodium acetate trihydrate with additives including extra water, thickening agents, solid and liquid polymers have been...

  18. Effects of cloud condensation nuclei and ice nucleating particles on precipitation processes and supercooled liquid in mixed-phase orographic clouds

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Jiwen; Leung, L. Ruby; Rosenfeld, Daniel; DeMott, Paul J.

    2017-01-01

    How orographic mixed-phase clouds respond to the change in cloud condensation nuclei (CCN) and ice nucleating particles (INPs) are highly uncertain. The main snow production mechanism in warm and cold mixed-phase orographic clouds (referred to as WMOCs and CMOCs, respectively, distinguished here as those having cloud tops warmer and colder than -20°C) could be very different. We quantify the CCN and INP impacts on supercooled water content, cloud phases, and precipitation for a WMOC case and a CMOC case, with sensitivity tests using the same CCN and INP concentrations between the WMOC and CMOC cases. It was found that deposition plays a more important role than riming for forming snow in the CMOC case, while the role of riming is dominant in the WMOC case. As expected, adding CCN suppresses precipitation, especially in WMOCs and low INPs. However, this reverses strongly for CCN of 1000 cm-3 and larger. We found a new mechanism through which CCN can invigorate mixed-phase clouds over the Sierra Nevada and drastically intensify snow precipitation when CCN concentrations are high (1000 cm-3 or higher). In this situation, more widespread shallow clouds with a greater amount of cloud water form in the Central Valley and foothills west of the mountain range. The increased latent heat release associated with the formation of these clouds strengthens the local transport of moisture to the windward slope, invigorating mixed-phase clouds over the mountains, and thereby producing higher amounts of snow precipitation. Under all CCN conditions, increasing the INPs leads to decreased riming and mixed-phase fraction in the CMOC as a result of liquid-limited conditions, but has the opposite effects in the WMOC as a result of ice-limited conditions. However, precipitation in both cases is increased by increasing INPs due to an increase in deposition for the CMOC but enhanced riming and deposition in the WMOC. Increasing the INPs dramatically reduces

  19. Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions

    Science.gov (United States)

    Biddle, John W.; Singh, Rakesh S.; Sparano, Evan M.; Ricci, Francesco; González, Miguel A.; Valeriani, Chantal; Abascal, José L. F.; Debenedetti, Pablo G.; Anisimov, Mikhail A.; Caupin, Frédéric

    2017-01-01

    One of the most promising frameworks for understanding the anomalies of cold and supercooled water postulates the existence of two competing, interconvertible local structures. If the non-ideality in the Gibbs energy of mixing overcomes the ideal entropy of mixing of these two structures, a liquid-liquid phase transition, terminated at a liquid-liquid critical point, is predicted. Various versions of the "two-structure equation of state" (TSEOS) based on this concept have shown remarkable agreement with both experimental data for metastable, deeply supercooled water and simulations of molecular water models. However, existing TSEOSs were not designed to describe the negative pressure region and do not account for the stability limit of the liquid state with respect to the vapor. While experimental data on supercooled water at negative pressures may shed additional light on the source of the anomalies of water, such data are very limited. To fill this gap, we have analyzed simulation results for TIP4P/2005, one of the most accurate classical water models available. We have used recently published simulation data, and performed additional simulations, over a broad range of positive and negative pressures, from ambient temperature to deeply supercooled conditions. We show that, by explicitly incorporating the liquid-vapor spinodal into a TSEOS, we are able to match the simulation data for TIP4P/2005 with remarkable accuracy. In particular, this equation of state quantitatively reproduces the lines of extrema in density, isothermal compressibility, and isobaric heat capacity. Contrary to an explanation of the thermodynamic anomalies of water based on a "retracing spinodal," the liquid-vapor spinodal in the present TSEOS continues monotonically to lower pressures upon cooling, influencing but not giving rise to density extrema and other thermodynamic anomalies.

  20. Liquid dynamics in partially crystalline glycerol

    DEFF Research Database (Denmark)

    Sanz, Alejandro; Niss, Kristine

    2017-01-01

    We present a dielectric study on the dynamics of supercooled glycerol during crystallization. We explore the transformation into a solid phase in real time by monitoring the temporal evolution of the amplitude of the dielectric signal. Neither the initial nucleation nor the crystal growth......, we have found no evidence that supercooled glycerol transforms into a peculiar phase in which either a new solid amorphous state or nano-crystals dispersed in a liquid matrix are formed....

  1. Estimating the Energy State of Liquids

    Directory of Open Access Journals (Sweden)

    Lianwen Wang

    2014-12-01

    Full Text Available In contrast to the gaseous and the solid states, the liquid state does not have a simple model that could be developed into a quantitative theory. A central issue in the understanding of liquids is to estimate the energy state of liquids. Here, on the basis of our recent studies on crystal melting, we show that the energy sate of liquids may be reasonably approximated by the energy and volume of a vacancy. Consequently, estimation of the liquid state energy is significantly simplified comparing with previous methods that inevitably invoke many-body interactions. Accordingly, a possible equation for the state for liquids is proposed. On this basis, it seems that a simple model for liquids is in sight.

  2. Chosen thermodynamic experiments: depression of the freezing point of water with salt and supercooled water

    OpenAIRE

    Krnc, Katja

    2014-01-01

    The diploma thesis presents two interesting thermodynamic experiments which were executed and described by Joseph Black in 18th Century. These are: depression of the freezing point of water with salt and supercooled water. We meet water in three states of matter in nature: in the state of ice, liquid water, and water steam. Phase crossing from water to ice (and vice versa from ice to water) is done with normal air pressure with the state temperature of 0°C. If we add certain matters to wat...

  3. Mechanism of supercooled droplet freezing on surfaces

    Science.gov (United States)

    Jung, Stefan; Tiwari, Manish K.; Doan, N. Vuong; Poulikakos, Dimos

    2012-01-01

    Understanding ice formation from supercooled water on surfaces is a problem of fundamental importance and general utility. Superhydrophobic surfaces promise to have remarkable 'icephobicity' and low ice adhesion. Here we show that their icephobicity can be rendered ineffective by simple changes in environmental conditions. Through experiments, nucleation theory and heat transfer physics, we establish that humidity and/or the flow of a surrounding gas can fundamentally switch the ice crystallization mechanism, drastically affecting surface icephobicity. Evaporative cooling of the supercooled liquid can engender ice crystallization by homogeneous nucleation at the droplet-free surface as opposed to the expected heterogeneous nucleation at the substrate. The related interplay between droplet roll-off and rapid crystallization is also studied. Overall, we bring a novel perspective to icing and icephobicity, unveiling the strong influence of environmental conditions in addition to the accepted effects of the surface conditions and hydrophobicity.

  4. Multiple critical points and liquid-liquid equilibria from the van der Waals like equations of state

    Energy Technology Data Exchange (ETDEWEB)

    Artemenko, Sergey; Lozovsky, Taras; Mazur, Victor [Thermodynamics Department, Academy of Refrigeration, 65082 Odessa (Ukraine)

    2008-06-18

    The principal aim of this work is a comprehensive analysis of the phase diagram of water via the van der Waals like equations of state (EoSs) which are considered as superpositions of repulsive and attractive forces. We test more extensively the modified van der Waals EoS (MVDW) proposed by Skibinski et al (2004 Phys. Rev. E 69 061206) and refine this model by introducing instead of the classical van der Waals repulsive term a very accurate hard sphere EoS over the entire stable and metastable regions (Liu 2006 Preprint cond-mat/0605392). It was detected that the simplest form of MVDW EoS displays a complex phase behavior, including three critical points, and identifies four fluid phases (gas, low density liquid (LDL), high density liquid (HDL), and very high density liquid (VHDL)). Moreover the experimentally observed (Mallamace et al 2007 Proc. Natl Acad. Sci. USA 104 18387) anomalous behavior of the density of water in the deeply supercooled region (a density minimum) is reproduced by the MWDW EoS. An improvement of the repulsive part does not change the topological picture of the phase behavior of water in the wide range of thermodynamic variables. The new parameters set for second and third critical points are recognized by thorough analysis of experimental data for the loci of thermodynamic response function extrema.

  5. Thermodynamics and dynamics of supercooled water

    Science.gov (United States)

    Mazza, Marco G.

    This thesis employs methods of statistical mechanics and numerical simulations to study some aspects of the thermodynamic and dynamic behavior of liquid water. As liquid water is cooled down into the supercooled state, some regions of the sample show correlated molecular motion. Previously, only the translational motion has been the object of investigation. Given the importance of orientational dynamics for water, a question that naturally arises is whether the rotational molecular motion also shows heterogeneous dynamics. We show that the most rotationally mobile molecules tend to form clusters, "rotational heterogeneities", and we study their dependence upon observation time and temperature. Further, we show evidence that molecules belonging to dynamic heterogeneities are involved in bifurcated bonds. Since the presence of dynamic heterogeneities is increasingly important as the temperature is lowered, one would expect a signature of this phenomenon in dynamical quantities. We study the effect of dynamic heterogeneities on the origin of the breakdown of the Stokes--- Einstein and Stokes---Einstein---Debye relations for water. These relations link the diffusivity to temperature and viscosity. We study the separation of time scales of dynamic heterogeneities and the diffusive regime. We also consider different sets of mobility, slowest and fastest, for both translational and rotational heterogeneities. A long-standing problem in biology is the seemingly universal loss of biological activity of all biomolecules, a phenomenon termed the "protein glass transition". We explore the connection between the hypothesized liquid-liquid phase transition of water, and the protein glass transition. We find that the protein glass transition coincides with the crossing of the Widom line of hydration water. Many different scenarios have been proposed to rationalize water's thermodynamic anomalies. We study a tell model for water using the Wolff' cluster algorithm, which permits

  6. Supercooled smectic nanoparticles

    DEFF Research Database (Denmark)

    Kuntsche, Judith; Koch, Michel H J; Fahr, Alfred

    2009-01-01

    , laser diffraction combined with polarizing intensity differential scattering, DSC and SAXS. The morphology of selected formulations was studied by freeze-fracture electron microscopy. All smectic nanoparticles with a mixed cholesterol ester matrix were stable against recrystallization when stored...... in the bulk was studied by polarizing light microscopy, differential scanning calorimetry (DSC) and small angle X-ray scattering (SAXS). Colloidal dispersions with pure and mixed cholesterol ester matrices were prepared by high-pressure melt homogenization and characterized by photon correlation spectroscopy...... administration of lipophilic drugs, the cytotoxicity of selected formulations was compared with that of a clinically used colloidal fat emulsion (Lipofundin MCT) in the murine fibroblast cell line L929 using the sulforhodamine B assay. The supercooled smectic nanoparticle formulations display a good overall cell...

  7. Molecular dynamics of the supercooled pharmaceutical agent posaconazole studied via differential scanning calorimetry and dielectric and mechanical spectroscopies.

    Science.gov (United States)

    Adrjanowicz, K; Kaminski, K; Wlodarczyk, P; Grzybowska, K; Tarnacka, M; Zakowiecki, D; Garbacz, G; Paluch, M; Jurga, S

    2013-10-07

    This paper presents comprehensive studies on the molecular dynamics of a pharmaceutically important substance, posaconazole. In order to characterize relaxation dynamics in the supercooled liquid and glassy states, dielectric and mechanical spectroscopies were applied. Dielectric data have indicated multiple relaxation processes that appear above and below the glass transition temperature Tg (τα=100 s) of posaconazole. From the curvature of the dielectric log10(τα) versus inverse of temperature dependence, we determine so-called "fragility", being a very popular parameter for classifying the structural dynamics of supercooled liquids and polymers. From the calculations, we get m=150, which means that is one of the most fragile glass-forming liquids. In this paper, the relaxation dynamics of supercooled posaconazole extracted from the dielectric response function was also confronted with shear-mechanical relaxation. Finally, we have also presented a direct comparison of the fragility and the number of dynamically correlated molecules Nc determined from dynamic calorimetry curves and dielectric and mechanical spectroscopies, showing a clear deviation in the picture of glass-transition dynamics generated by calorimetric and spectroscopic techniques.

  8. Theoretical approaches to the glass transition in simple liquids

    Indian Academy of Sciences (India)

    Chandan Dasgupta

    2005-05-01

    Theoretical approaches to the development of an understanding of the behaviour of simple supercooled liquids near the structural glass transition are reviewed and our work on this problem, based on the density functional theory of freezing and replicated liquid state theory, are summarized in this context. A few directions for further work on this problem are suggested.

  9. Water and its relatives: the stable, supercooled and particularly the stretched, regimes

    CERN Document Server

    Meadley, Stacey L

    2014-01-01

    While the water molecule is simple, its condensed phase liquid behavior is so complex that no consensus description has emerged despite three centuries of effort. Here we identify features of its behavior that are the most peculiar, hence suggest ways forward. We examine the properties of water at the boundaries of common experience, including stable states at high pressure, the supercooled state at normal and elevated pressure, and the stretched ("negative pressure") state, out to the limits of mechanical stability. The familiar anomalies at moderate pressures (viscosity and density (TMD) behavior, etc.), are not explained by H-bond breaking, according to common bond-breaking criteria. A comparison of data on the TMD, at both positive and negative pressures, with the predictions of popular pair potential models, shows dramatic discrepancies appearing in the stretched liquid domain. This prompts questions on the second critical point (TC2) hypothesis that has been guiding much current thinking. We turn to rel...

  10. The transient behavior of Peltier junctions pulsed with supercooling

    Science.gov (United States)

    Mao, J. N.; Chen, H. X.; Jia, H.; Qian, X. L.

    2012-07-01

    There exists the transient thermoelectric supercooling effect that can be enhanced by keeping on increasing the Peltier cooling effect to compensate for the Joule heating effect and Fourier heat conduction effect arriving at the cold junction, in which a transient cold spike can be produced by superimposing an additional shaped current pulse of a large magnitude on the original steady-state optimum value. Most previous work on the transient supercooling mainly focused on the minimum supercooling temperature achievable and separately analyzed the beneficial or detrimental effects on the transient supercooling performance, which was not clarified quantitatively to what extent the interactional effects were on the enhancement of the transient supercooling performance. In this work, we systematically investigate a numerical solution involving time-dependent imposed voltage pulse and time-dependent thermal boundary conditions on the transient supercooling behavior as well as the response of characteristic time and cold-junction temperature distribution to the pulse operation parameters during the periods of pulse start-up, pulse-on time, and pulse-off time, which is served as a theoretical basis for exploiting the coupling interaction of the thermoelectric effects on the heat diffusion from or to the cold junction interrelated with the amount of the availably electrical conversion in the short time scale. Additionally, the advantage of certain pulse forms over others is described. The results indicate that Peltier supercooling capacity shows a decreasing monotonic trend in proportion to the total amount of electrical conversion, and the maximum coefficient of performance for cooling state is about 0.5 to be achieved at steady state. Taking advantage of the temporary Peltier effect focused electrical conversion as the additional cooling for a period long enough against the earlier arrival of the excessively Joule heating dominated heat accumulation is the key parameter

  11. A metastable liquid melted from a crystalline solid under decompression

    Science.gov (United States)

    Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kono, Yoshio; Park, Changyong; Kenney-Benson, Curtis; Shen, Guoyin

    2017-01-01

    A metastable liquid may exist under supercooling, sustaining the liquid below the melting point such as supercooled water and silicon. It may also exist as a transient state in solid–solid transitions, as demonstrated in recent studies of colloidal particles and glass-forming metallic systems. One important question is whether a crystalline solid may directly melt into a sustainable metastable liquid. By thermal heating, a crystalline solid will always melt into a liquid above the melting point. Here we report that a high-pressure crystalline phase of bismuth can melt into a metastable liquid below the melting line through a decompression process. The decompression-induced metastable liquid can be maintained for hours in static conditions, and transform to crystalline phases when external perturbations, such as heating and cooling, are applied. It occurs in the pressure–temperature region similar to where the supercooled liquid Bi is observed. Akin to supercooled liquid, the pressure-induced metastable liquid may be more ubiquitous than we thought. PMID:28112152

  12. Fragile to strong crossover at the Widom line in supercooled aqueous solutions of NaCl

    Energy Technology Data Exchange (ETDEWEB)

    Gallo, P. [Dipartimento di Matematica e Fisica, Università Roma Tre, Via della Vasca Navale 84, I-00146 Rome, Italy and INFN, Sezione di Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy); Corradini, D.; Rovere, M., E-mail: rovere@fis.uniroma3.it [Dipartimento di Matematica e Fisica, Università Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy)

    2013-11-28

    We study by molecular dynamics simulations the dynamical properties of an aqueous solution of NaCl at a concentration of 0.67 mol/kg upon supercooling. In a previous study of the same ionic solution, we have located the liquid-liquid critical point (LLCP) and determined the Widom line connected to the liquid-liquid transition. We present here the results obtained from the study of the self-intermediate scattering function in a large range of temperatures and densities approaching the LLCP. The structural relaxation is in agreement with the mode coupling theory (MCT) in the region of mild supercooling. In the deeper supercooled region the α-relaxation time as function of temperature deviates from the MCT power law prediction showing a crossover from a fragile to a strong behavior. This crossover is found upon crossing the Widom line. The same trend was found in bulk water upon supercooling and it appears almost unchanged by the interaction with ions apart from a shift in the thermodynamic plane toward lower pressures and higher temperatures. These results show that the phenomenology of supercooled water transfers from bulk to solution where the study of the supercooled region is experimentally less difficult.

  13. Fragile to strong crossover at the Widom line in supercooled aqueous solutions of NaCl.

    Science.gov (United States)

    Gallo, P; Corradini, D; Rovere, M

    2013-11-28

    We study by molecular dynamics simulations the dynamical properties of an aqueous solution of NaCl at a concentration of 0.67 mol/kg upon supercooling. In a previous study of the same ionic solution, we have located the liquid-liquid critical point (LLCP) and determined the Widom line connected to the liquid-liquid transition. We present here the results obtained from the study of the self-intermediate scattering function in a large range of temperatures and densities approaching the LLCP. The structural relaxation is in agreement with the mode coupling theory (MCT) in the region of mild supercooling. In the deeper supercooled region the α-relaxation time as function of temperature deviates from the MCT power law prediction showing a crossover from a fragile to a strong behavior. This crossover is found upon crossing the Widom line. The same trend was found in bulk water upon supercooling and it appears almost unchanged by the interaction with ions apart from a shift in the thermodynamic plane toward lower pressures and higher temperatures. These results show that the phenomenology of supercooled water transfers from bulk to solution where the study of the supercooled region is experimentally less difficult.

  14. Supercooling across first-order phase transitions in vortex matter

    Indian Academy of Sciences (India)

    P Chaddah; S B Roy

    2000-06-01

    Hysteresis in cycling through first-order phase transitions in vortex matter, akin to the well-studied phenomenon of supercooling of water, has been discussed in literature. Hysteresis can be seen while varying either temperature or magnetic field (and thus the density of vortices). Our recent work on phase transitions with two control variables shows that the observable region of metastability of the supercooled phase would depend on the path followed in - space, and will be larger when is lowered at constant compared to the case when is lowered at constant . We discuss the effect of isothermal field variations on metastable supercooled states produced by field-cooling. This path dependence is not a priori applicable to metastability caused by reduced diffusivity or hindered kinetics.

  15. State of Liquidity Management in Islamic Financial Institutions

    OpenAIRE

    Syed Ali, Salman

    2013-01-01

    Liquidity position and liquidity risk of Islamic financial institutions has been changing over time. Using three measures of liquidity this paper analyses the state of liquidity and the risk management practices of Islamic banks across countries and regions and compares them with conventional banks. It calls for creating new instruments and infrastructure for liquidity risk management and proposes fresh approaches to manage this risk.

  16. State of Liquidity Management in Islamic Financial Institutions

    OpenAIRE

    SYED ALI, SALMAN

    2013-01-01

    Liquidity position and liquidity risk of Islamic financial institutions has been changing over time. Using three measures of liquidity this paper analyses the state of liquidity and the risk management practices of Islamic banks across countries and regions and compares them with conventional banks. It calls for creating new instruments and infrastructure for liquidity risk management and proposes fresh approaches to manage this risk.

  17. Determination of octanol-air partition coefficients and supercooled liquid vapor pressures of PAHs as a function of temperature: Application to gas-particle partitioning in an urban atmosphere

    Science.gov (United States)

    Odabasi, Mustafa; Cetin, Eylem; Sofuoglu, Aysun

    Octanol-air partition coefficients ( KOA) for 14 polycyclic aromatic hydrocarbons (PAHs) were determined as a function of temperature using the gas chromatographic retention time method. log KOA values at 25° ranged over six orders of magnitude, between 6.34 (acenaphthylene) and 12.59 (dibenz[ a,h]anthracene). The determined KOA values were within factor of 0.7 (dibenz[ a,h]anthracene) to 15.1 (benz[ a]anthracene) of values calculated as the ratio of octanol-water partition coefficient to dimensionless Henry's law constant. Supercooled liquid vapor pressures ( PL) of 13 PAHs were also determined using the gas chromatographic retention time technique. Activity coefficients in octanol calculated using KOA and PL ranged between 3.2 and 6.2 indicating near-ideal solution behavior. Atmospheric concentrations measured in this study in Izmir, Turkey were used to investigate the partitioning of PAHs between particle and gas-phases. Experimental gas-particle partition coefficients ( Kp) were compared to the predictions of KOA absorption and KSA (soot-air partition coefficient) models. Octanol-based absorptive partitioning model predicted lower partition coefficients especially for relatively volatile PAHs. Ratios of measured/modeled partition coefficients ranged between 1.1 and 15.5 (4.5±6.0, average±SD) for KOA model. KSA model predictions were relatively better and measured to modeled ratios ranged between 0.6 and 5.6 (2.3±2.7, average±SD).

  18. Wetting hysteresis induced by temperature changes: Supercooled water on hydrophobic surfaces.

    Science.gov (United States)

    Heydari, Golrokh; Sedighi Moghaddam, Maziar; Tuominen, Mikko; Fielden, Matthew; Haapanen, Janne; Mäkelä, Jyrki M; Claesson, Per M

    2016-04-15

    The state and stability of supercooled water on (super)hydrophobic surfaces is crucial for low temperature applications and it will affect anti-icing and de-icing properties. Surface characteristics such as topography and chemistry are expected to affect wetting hysteresis during temperature cycling experiments, and also the freezing delay of supercooled water. We utilized stochastically rough wood surfaces that were further modified to render them hydrophobic or superhydrophobic. Liquid flame spraying (LFS) was utilized to create a multi-scale roughness by depositing titanium dioxide nanoparticles. The coating was subsequently made non-polar by applying a thin plasma polymer layer. As flat reference samples modified silica surfaces with similar chemistries were utilized. With these substrates we test the hypothesis that superhydrophobic surfaces also should retard ice formation. Wetting hysteresis was evaluated using contact angle measurements during a freeze-thaw cycle from room temperature to freezing occurrence at -7°C, and then back to room temperature. Further, the delay in freezing of supercooled water droplets was studied at temperatures of -4°C and -7°C. The hysteresis in contact angle observed during a cooling-heating cycle is found to be small on flat hydrophobic surfaces. However, significant changes in contact angles during a cooling-heating cycle are observed on the rough surfaces, with a higher contact angle observed on cooling compared to during the subsequent heating. Condensation and subsequent frost formation at sub-zero temperatures induce the hysteresis. The freezing delay data show that the flat surface is more efficient in enhancing the freezing delay than the rougher surfaces, which can be rationalized considering heterogeneous nucleation theory. Thus, our data suggests that molecular flat surfaces, rather than rough superhydrophobic surfaces, are beneficial for retarding ice formation under conditions that allow condensation and frost

  19. Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-Ray Scattering

    Science.gov (United States)

    Okada, J. T.; Sit, P. H.-L.; Watanabe, Y.; Wang, Y. J.; Barbiellini, B.; Ishikawa, T.; Itou, M.; Sakurai, Y.; Bansil, A.; Ishikawa, R.; Hamaishi, M.; Masaki, T.; Paradis, P.-F.; Kimura, K.; Ishikawa, T.; Nanao, S.

    2012-02-01

    Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for the occurrence of theoretically predicted liquid-liquid phase transition in supercooled liquid states. The population of covalent bond pairs in liquid silicon is estimated to be 17% via a maximally localized Wannier function analysis. Compton scattering is shown to be a sensitive probe of bonding effects in the liquid state.

  20. New Mexico cloud super cooled liquid water survey final report 2009.

    Energy Technology Data Exchange (ETDEWEB)

    Beavis, Nick; Roskovensky, John K.; Ivey, Mark D.

    2010-02-01

    Los Alamos and Sandia National Laboratories are partners in an effort to survey the super-cooled liquid water in clouds over the state of New Mexico in a project sponsored by the New Mexico Small Business Assistance Program. This report summarizes the scientific work performed at Sandia National Laboratories during the 2009. In this second year of the project a practical methodology for estimating cloud super-cooled liquid water was created. This was accomplished through the analysis of certain MODIS sensor satellite derived cloud products and vetted parameterizations techniques. A software code was developed to analyze multiple cases automatically. The eighty-one storm events identified in the previous year effort from 2006-2007 were again the focus. Six derived MODIS products were obtained first through careful MODIS image evaluation. Both cloud and clear-sky properties from this dataset were determined over New Mexico. Sensitivity studies were performed that identified the parameters which most influenced the estimation of cloud super-cooled liquid water. Limited validation was undertaken to ensure the soundness of the cloud super-cooled estimates. Finally, a path forward was formulized to insure the successful completion of the initial scientific goals which include analyzing different of annual datasets, validation of the developed algorithm, and the creation of a user-friendly and interactive tool for estimating cloud super-cooled liquid water.

  1. Factors contributing to deep supercooling capability and cold survival in dwarf bamboo (Sasa senanensis leaf blades.

    Directory of Open Access Journals (Sweden)

    Masaya eIshikawa

    2015-01-01

    Full Text Available Wintering Sasa senanensis, dwarf bamboo, has been known to employ deep supercooling as the mechanism of cold hardiness in its most of the tissues from leaves to rhizomes. The unique cold hardiness mechanism of this plant was further characterized using current year leaf blades. Cold hardiness levels increased from August (LT20: –11 °C to December (LT20: –20 °C, which coincided with the initiation temperature of low temperature exotherms (LTE detected in differential thermal analyses. When leaf blades were stored at –5 °C for 1-14 days, there was no nucleation of the supercooled tissue units compartmentalized by the longitudinal and transverse veins either in summer or winter. However, only summer leaves suffered significant injury after prolonged supercooling of the tissue units. This may be a novel type of low temperature-induced injury in supercooled state at subfreezing temperatures. When winter leaf blades were maintained at the threshold temperature (-20 °C, a longer storage period (1-7 days increased lethal freezing of the supercooled tissue units. Within a wintering shoot, the second or third leaf blade from the top was most cold hardy and leaf blades at lower positions tended to suffer more injury due to lethal freezing of the supercooled units, which was not correlated with the leaf water content. LTE were shifted to higher temperatures (2-5 °C after a lethal freeze-thaw cycle. The results demonstrate that the tissue unit compartmentalized with longitudinal and transverse veins serves as the unit of supercooling and temperature- and time-dependent freezing of the units is lethal both in laboratory freeze tests and in the field. To establish such supercooling in the unit, structural ice barriers such as development of sclerenchyma and biochemical mechanisms to increase the stability of supercooling are considered important. We discussed these mechanisms in regard to ecological and physiological significance in winter survival.

  2. Zr基大块非晶合金在过冷液相区超塑性成形的摩擦行为及机理研究%Study on the Friction Behavior and Mechanism of Zr-based Bulk Metallic Glass Superplastic Forming in the Supercooled Liquid Region

    Institute of Scientific and Technical Information of China (English)

    郑志镇; 成蛟; 王新云; 李建军

    2009-01-01

    The friction behavior of Zr_(55) Al_(10)Ni_5Cu_(30) bulk metallic glass in the supercooled liquid region was investigated. The influence of forming temperature and velocity on friction factor was established by double cup extrusion test. The calibration curves of friction factor were evaluated by FE simulation and Kawamura's constitutive equation was adopted. Constant parameters in the constitutive equation were acquired by fitting the data from compression test. The results indicate that the friction factor of bulk metallic glass forming in the supercooled liquid region is between 0. 2 and 0. 7. With the temperature rising, the friction factor decreases in general under a low forming velocity. However, the friction factor increases slightly and then decreases abruptly under a high forming velocity. In low temperature area of supercooled liquid region, the friction factor increases abruptly with increasing of the forming velocity. While in high temperature area of supercooled liquid region, the friction factor decreases slightly with increasing of the forming velocity. The friction mechanism of bulk metallic glass forming in supercooled liquid region was analyzed by modern tribology theory. Adhesion is the dominant factor contributing to the friction of bulk metallic glass.%采用双杯挤压方法研究了成形温度、应变速率等工艺参数对Zr_(55) Al_(10) Ni_5 Cu_(30)块体非晶合金在过冷液相区塑性成形时模具和零件之间的摩擦行为的影响.采用有限元模拟方法获得大块非晶合金双杯挤压的摩擦因数标定曲线,有限元模拟中非晶合金的变形采用Kawamura的本构模型,将高温压缩实验的数据拟合,获得本构模型中的参数,结果表明非晶合金在过冷液相区内变形的摩擦因数在0.2~0.7之间.当应变速率较低时,随着温度的升高,摩擦因数总体上降低;而当应变速率较高时,随着温度的升高,摩擦因数先略有上升,然后急剧下降.当温度较低

  3. Decomposition mechanism in supercooled liquid alloys.

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, W. L.; Loffler, J. F.; Thiyagarajan, P.

    1999-07-12

    The authors performed small-angle neutron scattering experiments on the bulk amorphous alloy Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} (Vit1{reg_sign}) and on further alloys, where the ZrTi and CuBe content have been changed, following the tie-line in the direction of Zr{sub 46.8}Ti{sub 8.2}Cu{sub 7.5}Ni{sub 10}Be{sub 27.5} (Vit4{reg_sign}). The SANS data of the samples, preannealed at temperatures between 330 C and 390 C, show interference peaks giving evidence for spatially correlated arrangements of inhomogeneities. The Q values of the interference peaks, Q{sub max}, decrease with increasing annealing temperature T{sub a} and, at a given annealing temperature, with composition following the tie-line from Vit1 to Vit4. They find that, in two distinguished regimes, the data follow a relation 1/L{sup 2} {proportional_to} T{sub a} as predicted by Cahn's theory (L = 2{pi}/Q{sub max} is the wavelength of the decomposition), with a crossover at the glass transition temperature T{sub g} = 350 C. The authors explain the crossover by different diffusion mechanisms below and above T{sub g}.

  4. Slow dynamics of supercooled water confined in nanoporous silica materials

    Energy Technology Data Exchange (ETDEWEB)

    Liu, L [Department of Nuclear Engineering, 24-209 MIT, Cambridge, MA 02139 (United States); Faraone, A [Department of Nuclear Engineering, 24-209 MIT, Cambridge, MA 02139 (United States); Mou, C-Y [Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan (China); Yen, C-W [Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan (China); Chen, S-H [Department of Nuclear Engineering, 24-209 MIT, Cambridge, MA 02139 (United States)

    2004-11-17

    We review our incoherent quasielastic neutron scattering (QENS) studies of the dynamics of supercooled water confined in nanoporous silica materials. QENS data were analysed by using the relaxing cage model (RCM) previously developed by us. We first use molecular dynamics (MD) simulation of the extended simple point charge model (SPC/E) for bulk supercooled water to establish the validity of the RCM, which applies to both the translational and rotational motion of water molecules. We then assume that the dynamics of water molecules in the vicinity of a hydrophilic surface is similar to a bulk water at an equivalent lower supercooled temperature. This analogy was experimentally demonstrated in previous investigations of water in Vycor glasses and near hydrophilic protein surfaces. Studies were made of supercooled water in MCM-41-S (pore sizes 25, 18, and 14 A) and MCM-48-S (pore size 22 A) using three QENS spectrometers of respective energy resolutions 1, 30, and 60 {mu}eV, covering the temperature range from 325 to 200 K. Five quantities are extracted from the analysis: they are {beta}, the stretch exponent characterizing the {alpha}-relaxation; {beta}{gamma}, the exponent determining the power-law dependence of the relaxation time on Q; <{tau}{sub 0}>, the Q-independent pre-factor for the average translational relaxation time; <{tau}{sub R{sub 1}}>, the relaxation time for the first-order rotational correlation function; and <{tau}{sub R{sub 3}}>, the relaxation time for the second-order rotational correlation function. We discuss the temperature dependence of these parameters and note that, in particular, the dynamics is rapidly slowing down at temperature around 220 K, signalling the onset of a structural arrest transition of liquid water into an amorphous solid water.

  5. LIQUIDITY ANALYSIS OF STATE BANK OF INDIA

    Directory of Open Access Journals (Sweden)

    Kumar Gandhi R

    2011-12-01

    Full Text Available Modern customer has a high demand for quality of service than he/she had before. There is an urgent need for improving the customer service levels currently provided in the banking industry. Banks need to understand, foresee, the needs and expected levels of customer support which the customer expects when he/she steps into the branch and strive to stand up and excel in providing the service and making banking a truly delightful experience. The banker should change his/her agenda from Customer Satisfaction to Customer delight and then march towards Customer Ecstasy. This will be possible by maintaining the financial soundness of the firm. In this connection it has been given importance through this study. Since most of the Banking slightly deviate into the other areas like insurance, financial services and modern banking services such as Advisory services, Agent for receivables, custodian, instant loan provider, Forfeiter services and factoring services. A conscious attempt has been made to analysis the liquidity of state bank of India (SBI. The present study aimed to understand the financial soundness of the bank, the ratio analysis taken as tool. In this research work the secondary data mainly used, it has been collected in the form of the company manuals, Balance sheets and other documents. The data analyzed by some of the statistical tools such as ANOVA test and Multi variate test is used to analyze the interferences about the operating efficiency.

  6. Dynamics of hydrogen bonds in water and consequences for the unusual behaviour of supercooled water

    Indian Academy of Sciences (India)

    José Teixeira

    2008-10-01

    The dynamics of liquid water is evaluated by the coherent quasi-elastic scattering at two different momentum transfers, in order to discriminate hydrogen bond life-time from molecular dynamics. The results indicate a possible issue for the puzzle of the behaviour of supercooled water.

  7. Compressive Deformation Induced Nanocrystallization of a Supercooled Zr-Based Bulk Metallic Glass

    Institute of Scientific and Technical Information of China (English)

    GUO Xiao-Lin; SHAN De-Bin; MA Ming-Zhen; GUO Bin

    2008-01-01

    The nanocrystallization behaviour of a bulk Zr-based metallic glass subjected to compressive stress is investigated in the supercooled liquid region. Compared with annealing treatments without compressive stress, compressive deformation promotes the development of nucleation and suppresses the coarsening of nanocrystallites at high ternperatures.

  8. Liquid fragility--A key to going deep into materials of glassy states

    Institute of Scientific and Technical Information of China (English)

    HU Lina; BIAN Xiufang

    2004-01-01

    "Liquid fragility" is a concept that has been widely used in the investigation on the glass community, though it was presented less than two decades ago. The concept enables the comparison between the glass-forming liquids with different dynamic characters by using a general criterion, in which the temperature scale is reduced by the glass transition temperature. In order to illuminate the significance of the concept in the fields of the glass transition, structural relaxation process and the structure of supercooled liquids, the accomplished progress and the faced challenges are summarized from different aspects such as on the correlation between dynamics and thermodynamic characters of condensed matters, on the energy landscape, on the nonexponential relaxation and on the theoretical model of microstructure and medium-range order. The tendency of investigation in "liquid fragility" is also evaluated.

  9. Formation and evolution characteristics of bcc phase during isothermal relaxation processes of supercooled liquid and amorphous metal Pb%过冷液态和非晶态金属Pb等温驰豫过程中bcc相的形成和演变特性

    Institute of Scientific and Technical Information of China (English)

    周丽丽; 刘让苏; 田泽安; 刘海蓉; 侯兆阳; 朱轩民; 刘全慧

    2011-01-01

    The formation and evolution characteristics of bcc phase during the isothermal relaxation processes for supercooled-liquid and amorphous Pb were investigated by molecular dynamics simulation and cluster-type index method (CTIM). It is found that during the relaxation process,the formation and evolution of bcc phase are closely dependent on the initial temperature and structure.During the simulation time scale,when the initial temperature is in the range of supercooled liquid region,the bcc phase can be formed and kept a long time; while it is in the range of glassy region,the bcc phase can be formed at first and then partially transformed into hcp phase; when it decreases to the lower one,the hcp and fcc phases can be directly transformed from the glassy structure without undergoing the metastable bcc phase. The Ostwald's "step rule" is impactful during the isothermal relaxation process of the supercooled and glassy Pb,and the metastable bcc phase plays an important role in the precursor of crystallization.%采用分子动力学模拟方法和团簇类型指数法,对过冷液态和非晶态金属Pb在等温驰豫过程中bcc相的形成和演变特性进行研究.结果表明:bcc相的形成和演变密切依赖等温驰豫过程的初始温度和初始结构,在过冷液态区,bcc相很容易形成并在模拟时间范围内保持稳定;而在非晶态区,bcc相先形成并随后部分转变为hcp相,当驰豫的初始温度在较低的153 K和113 K时,hcp和fcc相不经历亚稳bcc相而直接在非晶态结构中形成;这说明Ostwald的"步进原则"在过冷液态和非晶态Pb等温驰豫过程中是有效的,并且,亚稳bcc相起到重要的晶化前驱的作用.

  10. The reversibility and first-order nature of liquid-liquid transition in a molecular liquid

    Science.gov (United States)

    Kobayashi, Mika; Tanaka, Hajime

    2016-11-01

    Liquid-liquid transition is an intriguing phenomenon in which a liquid transforms into another liquid via the first-order transition. For molecular liquids, however, it always takes place in a supercooled liquid state metastable against crystallization, which has led to a number of serious debates concerning its origin: liquid-liquid transition versus unusual nano-crystal formation. Thus, there have so far been no single example free from such debates, to the best of our knowledge. Here we show experimental evidence that the transition is truly liquid-liquid transition and not nano-crystallization for a molecular liquid, triphenyl phosphite. We kinetically isolate the reverse liquid-liquid transition from glass transition and crystallization with a high heating rate of flash differential scanning calorimetry, and prove the reversibility and first-order nature of liquid-liquid transition. Our finding not only deepens our physical understanding of liquid-liquid transition but may also initiate a phase of its research from both fundamental and applications viewpoints.

  11. A Generalized Equation of State for High-Pressure Liquids

    Institute of Scientific and Technical Information of China (English)

    LIANG Yan-bo; TONG Jing-shan

    2005-01-01

    An equation of state (EOS) for high-pressure liquids, I.e., Tait EOS, is deduced according to isothermal compressibility KT=-1/V·((а)V/(а)p)T·.Based on the equation, a generalized EOS for high pressure-liquids is established by using the reduced state principle and introducing a characteristic parameter-configuration factorξ.Reasonably satisfactory P-V-T data for many organic compounds, including some polar components, were calculated by using the equation.

  12. Fragile-to-strong crossover in supercooled water: A comparison between TIP4P and TIP4P/2005 models

    Science.gov (United States)

    De Marzio, M.; Camisasca, G.; Rovere, M.; Gallo, P.

    2016-05-01

    We present recent simulation results on the dynamics of supercooled water with the TIP4P/2005 potential. We find that the dynamical behaviour of the translational motion of the molecules is well interpreted in terms of the Mode Coupling Theory, as it was found for supercooled TIP4P water. We compare the results of the two models and in particular we find also in TIP4P/2005 a crossover from a fragile to a strong regime. We connect this crossover to the crossing of the Widom line emanating from the liquid-liquid critical point.

  13. The Liquid State and Its Electrical Properties

    Science.gov (United States)

    1988-01-01

    Hg relative to (liquid) Ga (Frumkin and Damaskin , 1974) in the supposed absence of specific chemisorption of solvent dipoles or solute ions. In the...in terms of H-bonded clusters of H20 dipoles at Hg/H20 interfaces, e.g., by Parsons (1975) and Frumkin and Damaskin (1974). 360 Unfortunately, the...U.S.A., 15:400. Frumkin, A.N., and Damaskin , B.B., 1974, Electrochim. Acta, 19:173. Gomer, R., and Swanson, L.W., 1963, J. Chem. Phys., 38:1613

  14. Mechanism of Supercooled Water Droplet Breakup near the Leading Edge of an Airfoil

    Science.gov (United States)

    Veras-Alba, Belen; Palacios, Jose; Vargas, Mario; Ruggeri, Charles; Bartkus, Tadas P.

    2017-01-01

    This work presents the results of an experimental study on supercooled droplet deformation and breakup near the leading edge of an airfoil. The results are compared to prior room temperature droplet deformation results to explore the effects of droplet supercooling. The experiments were conducted in the Adverse Environment Rotor Test Stand (AERTS) at The Pennsylvania State University. An airfoil model placed at the end of the rotor blades mounted onto the hub in the AERTS chamber was moved at speeds ranging between 50 and 80 m/sec. The temperature of the chamber was set at -20°C. A monotonic droplet generator was used to produce droplets that fell from above, perpendicular to the path of the airfoil. The supercooled state of the droplets was determined by measurement of the temperature of the drops at various locations below the droplet generator exit. A temperature prediction code was also used to estimate the temperature of the droplets based on vertical velocity and the distance traveled by droplets from the droplet generator to the airfoil stagnation line. High speed imaging was employed to observe the interaction between the droplets and the airfoil. The high speed imaging provided droplet deformation information as the droplet approached the airfoil near the stagnation line. A tracking software program was used to measure the horizontal and vertical displacement of the droplet against time. It was demonstrated that to compare the effects of water supercooling on droplet deformation, the ratio of the slip velocity and the initial droplet velocity must be equal. A case with equal slip velocity to initial velocity ratios was selected for room temperature and supercooled droplet conditions. The airfoil velocity was 60 m/s and the slip velocity for both sets of data was 40 m/s. In these cases, the deformation of the weakly supercooled and warm droplets did not present different trends. The similar behavior for both environmental conditions indicates that water

  15. Liquid-state nuclear spin comagnetometers

    CERN Document Server

    Ledbetter, Micah; Budker, Dmitry; Romalis, Michael; Blanchard, John; Pines, Alex

    2012-01-01

    We discuss nuclear spin comagnetometers based on ultra-low-field nuclear magnetic resonance in mixtures of miscible solvents, each rich in a different nuclear spin. In one version thereof, Larmor precession of protons and ${\\rm ^{19}F}$ nuclei in a mixture of thermally polarized pentane and hexafluorobenzene is monitored via a sensitive alkali-vapor magnetometer. We realize transverse relaxation times in excess of 20 s and suppression of magnetic field fluctuations by a factor of 3400. We estimate it should be possible to achieve single-shot sensitivity of about $5\\times{\\rm 10^{-9} Hz}$, or about $5\\times 10^{-11} {\\rm Hz}$ in $\\approx 1$ day of integration. In a second version, spin precession of protons and ${\\rm ^{129}Xe}$ nuclei in a mixture of pentane and hyperpolarized liquid xenon is monitored using superconducting quantum interference devices. Application to spin-gravity experiments, electric dipole moment experiments, and sensitive gyroscopes are discussed.

  16. Optical Kerr effect of liquid water: a new insight into the vibrational and structural dynamics

    CERN Document Server

    Taschin, A; Eramo, R; Righini, R; Torre, R

    2013-01-01

    The liquid and supercooled states of water show a series of anomalies whose nature is lively debated. A key role is attributed to the formation of structural aggregations induced by critical phenomena occurring deep in the supercooled region, not experimentally accessible for bulk water. This explain why, despite the numerous experimental investigations, the nature of water anomalies and the hidden critical processes remain elusive. Here we present a time-resolved optical Kerr effect investigation of the vibrational and relaxation processes in supercooled bulk water. The experiment measures the water intermolecular vibrations and the structural relaxation process in an extended temperature range, and with unpreceded data quality. A mode-coupling analysis of the experimental data allows the characterization of the intermolecular vibrational modes and of their interplay with the structural relaxation process.

  17. Phase diagram with a region of liquid carbon-diamond metastable states

    Science.gov (United States)

    Basharin, A. Yu.; Dozhdikov, V. S.; Kirillin, A. V.; Turchaninov, M. A.; Fokin, L. R.

    2010-06-01

    Metastable cubic diamond has been found in the structure of solid carbon obtained by quenching of a liquid phase at a pressure (0.012 GPa) much lower than that corresponding to the existence of stable diamond. It is suggested that this metastable diamond is formed as a result of the recalescence of supercooled liquid carbon to the melting point ( T dm) of metastable diamond due to a lower energy barrier for the formation of diamond as compared to that of graphite. A comparison between the calculated Gibbs energies of metastable phases provided an estimate of T dm = 4160 ± 50 K. For the first time, metastable continuations of the curve of diamond melting at pressures of up to 0.012 GPa are constructed on the phase diagrams of carbon (according to various published data) using analytical curves described by a two-parametric Simon equation.

  18. Experimental investigations on cylindrical latent heat storage units with sodium acetate trihydrate composites utilizing supercooling

    DEFF Research Database (Denmark)

    Dannemand, Mark; Johansen, Jakob Berg; Kong, Weiqiang;

    2016-01-01

    unit was tested with 116.3 kg SAT with 0.5% Xanthan rubber as a thickening agent and 4.4% graphite powder. The heat exchange capacity rate during charge was significantly lower for the unit with SAT and Xanthan rubber compared to the unit with SAT and extra water. This was due to less convection......Latent heat storage units utilizing stable supercooling of sodium acetate trihydrate (SAT) composites were tested in a laboratory. The stainless steel units were 1.5 m high cylinders with internal heat exchangers of tubes with fins. One unit was tested with 116 kg SAT with 6% extra water. Another...... in the thickened phase change material after melting. The heat content in the fully charged state and the heat released after solidification of the supercooled SAT mixtures at ambient temperature was higher for the unit with the thickened SAT mixture. The heat discharged after solidification of the supercooled SAT...

  19. The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

    Science.gov (United States)

    Limmer, David T.; Chandler, David

    2013-06-01

    This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011), 10.1063/1.3643333 and preprint arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

  20. Coagulation profile of liquid-state plasma.

    Science.gov (United States)

    Gosselin, Robert C; Marshall, Carol; Dwyre, Denis M; Gresens, Chris; Davis, Diana; Scherer, Lynette; Taylor, Douglas

    2013-03-01

    Use of liquid plasma (LP) has been reported as early as the mid 1930s. Unlike fresh-frozen plasma (FFP), LP is maintained at 1 to 6°C for up to 40 days after collection and processing. Despite its approved use by the US Food and Drug Administration, the coagulation profile of LP is incompletely described. In this study we evaluate the coagulation profile of LP stored up to 30 days. LP was prepared by removing plasma from nonleukoreduced whole blood within 24 hours of collection. Three LP units from each ABO group were collected and stored at 1 to 6°C. Plasma aliquots were obtained at Postcollection Days 1 to 5, 10, 15, 20, 25, and 30 and then stored at -70°C. Each aliquot was tested for prothrombin time, activated partial thromboplastin time, and other coagulation and fibrinolytic factors. There was a significant decrease in Factor (F)V, FVII, FVIII, von Willebrand factor (VWF), protein S (PS) activity, and endogenous thrombin potential on Day 15 compared with Day 1. No significant difference was observed for PS antigen, D-dimer, or thrombin-antithrombin complex. At least 50% activity of all measured factors was noted on Day 15, compared to Day 1. Considerable heterogeneity was observed between the different blood groups for FVII, FVIII, and VWF. These data demonstrate that LP maintains at least 50% of factor activity and thrombin-generating capacity up to 15 days of refrigerated storage. It may be more appropriate to limit LP storage and supplement with FFP when used for management of massively bleeding patients. © 2012 American Association of Blood Banks.

  1. Dynamics of deeply supercooled interfacial water.

    Science.gov (United States)

    Swenson, Jan; Cerveny, Silvina

    2015-01-28

    In this review we discuss the relaxation dynamics of glassy and deeply supercooled water in different types of systems. We compare the dynamics of such interfacial water in ordinary aqueous solutions, hard confinements and biological soft materials. In all these types of systems the dielectric relaxation time of the main water process exhibits a dynamic crossover from a high-temperature non-Arrhenius temperature dependence to a low-temperature Arrhenius behavior. Moreover, at large enough water content the low-temperature process is universal and exhibits the same temperature behavior in all types of systems. However, the physical nature of the dynamic crossover is somewhat different for the different types of systems. In ordinary aqueous solutions it is not even a proper dynamic crossover, since the water relaxation decouples from the cooperative α-relaxation of the solution slightly above the glass transition in the same way as all secondary (β) relaxations of glass-forming materials. In hard confinements, the physical origin of the dynamic crossover is not fully clear, but it seems to occur when the cooperative main relaxation of water at high temperatures reaches a temperature where the volume required for its cooperative motion exceeds the size of the geometrically-confined water cluster. Due to this confinement effect the α-like main relaxation of the confined water seems to transform to a more local β-relaxation with decreasing temperature. Since this low-temperature β-relaxation is universal for all systems at high water content it is possible that it can be considered as an intrinsic β-relaxation of supercooled water, including supercooled bulk water. This possibility, together with other findings for deeply supercooled interfacial water, suggests that the most accepted relaxation scenarios for supercooled bulk water have to be altered.

  2. Solidification of supercooled water in the vicinity of a solid wall

    Science.gov (United States)

    Schremb, Markus; Tropea, Cameron

    2016-11-01

    An experimental approach utilizing a Hele-Shaw cell for the investigation of the solidification of a supercooled liquid in contact with a solid wall is presented. The setup is based on an idea presented by Marín et al. [A. G. Marín et al., Phys. Rev. Lett. 113, 054301 (2014), 10.1103/PhysRevLett.113.054301], who investigated the planar freezing of a sessile drop without supercooling. This apparatus overcomes optical distortions present when observing the freezing of sessile drops, arising due to reflections and refraction of light on the drop surface. The facility is used to investigate the freezing process of water drops, supercooled down to -20∘C , and to qualitatively demonstrate that the growth behavior is uninfluenced by the use of the Hele-Shaw cell. Different features during freezing, which are known for sessile water drops, are also observed with the Hele-Shaw cell. The growth morphology within the first phase of solidification is categorized according to the initial drop supercooling. Furthermore, freezing velocities within this phase are related to data available in the literature for the growth of single ice dendrites.

  3. Metastable Demixing of Supercooled Cu-Co and Cu-Fe Alloys in an Oxide Flux

    Science.gov (United States)

    Li, D.; Robinson, M. B.; Rathz, T. J.; Williams, G.

    1998-01-01

    A systematic study on the liquid separation in supercooled Cu-Co and Cu-Fe alloys was performed using a melt fluxing which permits high supercooling to be achieved. Moreover, this method renders it possible to directly measure binodal temperatures and establish metastable liquid miscibility gap (LMG). All phase-separated samples at compositions ranging from 10 to 80 wt pct Co or to 83 wt pct Fe were found to exhibit droplet-shaped morphologies, in spite of various droplet distributions. Uniformly dispersed microstructures were obtained as the minority component was less than 20 vol.%; while beyond this percentage, serious coarsening was brought about. Calculations of the miscibility gap in the Cu-Co system and Stokes movement velocity of Co and Fe droplets in Cu matrix were made to analyze the experimental results.

  4. Striped spin liquid crystal ground state instability of kagome antiferromagnets.

    Science.gov (United States)

    Clark, Bryan K; Kinder, Jesse M; Neuscamman, Eric; Chan, Garnet Kin-Lic; Lawler, Michael J

    2013-11-01

    The Dirac spin liquid ground state of the spin 1/2 Heisenberg kagome antiferromagnet has potential instabilities. This has been suggested as the reason why it does not emerge as the ground state in large-scale numerical calculations. However, previous attempts to observe these instabilities have failed. We report on the discovery of a projected BCS state with lower energy than the projected Dirac spin liquid state which provides new insight into the stability of the ground state of the kagome antiferromagnet. The new state has three remarkable features. First, it breaks spatial symmetry in an unusual way that may leave spinons deconfined along one direction. Second, it breaks the U(1) gauge symmetry down to Z(2). Third, it has the spatial symmetry of a previously proposed "monopole" suggesting that it is an instability of the Dirac spin liquid. The state described herein also shares a remarkable similarity to the distortion of the kagome lattice observed at low Zn concentrations in Zn-paratacamite and in recently grown single crystals of volborthite suggesting it may already be realized in these materials.

  5. Pairing in Luttinger Liquids and Quantum Hall States

    Science.gov (United States)

    Kane, Charles L.; Stern, Ady; Halperin, Bertrand I.

    2017-07-01

    We study spinless electrons in a single-channel quantum wire interacting through attractive interaction, and the quantum Hall states that may be constructed by an array of such wires. For a single wire, the electrons may form two phases, the Luttinger liquid and the strongly paired phase. The Luttinger liquid is gapless to one- and two-electron excitations, while the strongly paired state is gapped to the former and gapless to the latter. In contrast to the case in which the wire is proximity coupled to an external superconductor, for an isolated wire there is no separate phase of a topological, weakly paired superconductor. Rather, this phase is adiabatically connected to the Luttinger liquid phase. The properties of the one-dimensional topological superconductor emerge when the number of channels in the wire becomes large. The quantum Hall states that may be formed by an array of single-channel wires depend on the Landau-level filling factors. For odd-denominator fillings ν =1 /(2 n +1 ), wires at the Luttinger phase form Laughlin states, while wires in the strongly paired phase form a bosonic fractional quantum Hall state of strongly bound pairs at a filling of 1 /(8 n +4 ). The transition between the two is of the universality class of Ising transitions in three dimensions. For even-denominator fractions ν =1 /2 n , the two single-wire phases translate into four quantum Hall states. Two of those states are bosonic fractional quantum Hall states of weakly and strongly bound pairs of electrons. The other two are non-Abelian quantum Hall states, which originate from coupling wires close to their critical point. One of these non-Abelian states is the Moore-Read state. The transitions between all of these states are of the universality class of Majorana transitions. We point out some of the properties that characterize the different phases and the phase transitions.

  6. QCD Equations of State and the QGP Liquid Model

    CERN Document Server

    Letessier, J

    2003-01-01

    Recent advances in the study of equations of state of thermal lattice Quantum Chromodynamics obtained at non-zero baryon density allow validation of the quark-gluon plasma (QGP) liquid model equations of state (EoS). We study here the properties of the QGP-EoS near to the phase transformation boundary at finite baryon density and show a close agreement with the lattice results.

  7. Detection and Analysis of High Ice Concentration Events and Supercooled Drizzle from IAGOS Commercial Aircraft

    Science.gov (United States)

    Gallagher, Martin; Baumgardner, Darrel; Lloyd, Gary; Beswick, Karl; Freer, Matt; Durant, Adam

    2016-04-01

    Hazardous encounters with high ice concentrations that lead to temperature and airspeed sensor measurement errors, as well as engine rollback and flameout, continue to pose serious problems for flight operations of commercial air carriers. Supercooled liquid droplets (SLD) are an additional hazard, especially for smaller commuter aircraft that do not have sufficient power to fly out of heavy icing conditions or heat to remove the ice. New regulations issued by the United States and European regulatory agencies are being implemented that will require aircraft below a certain weight class to carry sensors that will detect and warn of these types of icing conditions. Commercial aircraft do not currently carry standard sensors to detect the presence of ice crystals in high concentrations because they are typical found in sizes that are below the detection range of aircraft weather radar. Likewise, the sensors that are currently used to detect supercooled water do not respond well to drizzle-sized drops. Hence, there is a need for a sensor that can fill this measurement void. In addition, the forecast models that are used to predict regions of icing rely on pilot observations as the only means to validate the model products and currently there are no forecasts for the prevalence of high altitude ice crystals. Backscatter Cloud Probes (BCP) have been flying since 2011 under the IAGOS project on six Airbus commercial airliners operated by Lufthansa, Air France, China Air, Iberia and Cathay Pacific, and measure cloud droplets, ice crystals and aerosol particles larger than 5 μm. The BCP can detect these particles and measures an optical equivalent diameter (OED) but is not able to distinguish the type of particle, i.e. whether they are droplets, ice crystals, dust or ash. However, some qualification can be done based on measured temperature to discriminate between liquid water and ice. The next generation BCP (BCPD, Backscatter Cloud Probe with polarization detection) is

  8. Topologically protected quantum state transfer in a chiral spin liquid.

    Science.gov (United States)

    Yao, N Y; Laumann, C R; Gorshkov, A V; Weimer, H; Jiang, L; Cirac, J I; Zoller, P; Lukin, M D

    2013-01-01

    Topology plays a central role in ensuring the robustness of a wide variety of physical phenomena. Notable examples range from the current-carrying edge states associated with the quantum Hall and the quantum spin Hall effects to topologically protected quantum memory and quantum logic operations. Here we propose and analyse a topologically protected channel for the transfer of quantum states between remote quantum nodes. In our approach, state transfer is mediated by the edge mode of a chiral spin liquid. We demonstrate that the proposed method is intrinsically robust to realistic imperfections associated with disorder and decoherence. Possible experimental implementations and applications to the detection and characterization of spin liquid phases are discussed.

  9. Gelation on heating of supercooled gelatin solutions.

    Science.gov (United States)

    Guigo, Nathanaël; Sbirrazzuoli, Nicolas; Vyazovkin, Sergey

    2012-04-23

    Diluted (1.0-1.5 wt%) aqueous gelatin solutions have been cooled to -10 °C at a cooling rate 20 °C min(-1) without freezing and detectable gelation. When heated at a constant heating rate (0.5 -2 °C min(-1)), the obtained supercooled solutions demonstrate an atypical process of gelation that has been characterized by regular and stochastically modulated differential scanning calorimetry (DSC) as well as by isoconversional kinetic analysis. The process is detectable as an exothermic peak in the total heat flow of regular DSC and in the nonreversing heat flow of stochastically modulated DSC. Isoconversional kinetic analysis applied to DSC data reveals that the effective activation energy of the process increases from approximately 75 to 200 kJ mol(-1) as a supercooled solution transforms to gel on continuous heating.

  10. Free energy of formation of small ice nuclei near the Widom line in simulations of supercooled water.

    Science.gov (United States)

    Buhariwalla, Connor R C; Bowles, Richard K; Saika-Voivod, Ivan; Sciortino, Francesco; Poole, Peter H

    2015-05-01

    The ST2 interaction potential has been used in a large number of simulation studies to explore the possibility of a liquid-liquid phase transition (LLPT) in supercooled water. Using umbrella sampling Monte Carlo simulations of ST2 water, we evaluate the free energy of formation of small ice nuclei in the supercooled liquid in the vicinity of the Widom line, the region above the critical temperature of the LLPT where a number of thermodynamic anomalies occur. Our results show that in this region there is a substantial free-energy cost for the formation of small ice nuclei, demonstrating that the thermodynamic anomalies associated with the Widom line in ST2 water occur in a well-defined metastable liquid phase. On passing through the Widom line, we identify changes in the free energy to form small ice nuclei that illustrate how the thermodynamic anomalies associated with the LLPT may influence the ice nucleation process.

  11. Vapor Pressure Plus: An Experiment for Studying Phase Equilibria in Water, with Observation of Supercooling, Spontaneous Freezing, and the Triple Point

    Science.gov (United States)

    Tellinghuisen, Joel

    2010-01-01

    Liquid-vapor, solid-vapor, and solid-liquid-vapor equilibria are studied for the pure substance water, using modern equipment that includes specially fabricated glass cells. Samples are evaporatively frozen initially, during which they typically supercool to -5 to -10 [degrees]C before spontaneously freezing. Vacuum pumping lowers the temperature…

  12. Equation of state of liquid Indium under high pressure

    Directory of Open Access Journals (Sweden)

    Huaming Li

    2015-09-01

    Full Text Available We apply an equation of state of a power law form to liquid Indium to study its thermodynamic properties under high temperature and high pressure. Molar volume of molten indium is calculated along the isothermal line at 710K within good precision as compared with the experimental data in an externally heated diamond anvil cell. Bulk modulus, thermal expansion and internal pressure are obtained for isothermal compression. Other thermodynamic properties are also calculated along the fitted high pressure melting line. While our results suggest that the power law form may be a better choice for the equation of state of liquids, these detailed predictions are yet to be confirmed by further experiment.

  13. Weak links between fast mobility and local structure in molecular and atomic liquids

    CERN Document Server

    Bernini, S; Leporini, D

    2016-01-01

    We investigate by Molecular-Dynamics simulations the fast mobility - the rattling amplitude of the particles temporarily trapped by the cage of the neighbors - in mildly supercooled states of dense molecular (linear trimers) and atomic (binary mixtures) liquids. The mixture particles interact by the Lennard-Jones potential. The non-bonded particles of the molecular system are coupled by the more general Mie potential with variable We investigate by Molecular-Dynamics simulations the fast mobility - the rattling amplitude of the particles temporarily trapped by the cage of the neighbors - in mildly supercooled states of dense molecular (linear trimers) and atomic (binary mixtures) liquids. The mixture particles interact by the Lennard-Jones potential. The non-bonded particles of the molecular system are coupled by the more general Mie potential with variable repulsive and attractive exponents in a range which is characteristic of small $n$-alkanes and $n$-alcohols. Possible links between the fast mobility and ...

  14. 2H NMR studies of supercooled and glassy aspirin

    Science.gov (United States)

    Nath, R.; Nowaczyk, A.; Geil, B.; Bohmer, R.

    2007-11-01

    Acetyl salicylic acid, deuterated at the methyl group, was investigated using 2H-NMR in its supercooled and glassy states. Just above the glass transition temperature the molecular reorientations were studied using stimulated-echo spectroscopy and demonstrated a large degree of similarity with other glass formers. Deep in the glassy phase the NMR spectra look similar to those reported for the crystal [A. Detken, P. Focke, H. Zimmermann, U. Haeberlen, Z. Olejniczak, Z. T. Lalowicz, Z. Naturforsch. A 50 (1995) 95] and below 20 K they are indicative for rotational tunneling with a relatively large tunneling frequency. Measurements of the spin-lattice relaxation times for temperatures below 150 K reveal a broad distribution of correlation times in the glass. The dominant energy barrier characterizing the slow-down of the methyl group is significantly smaller than the well defined barrier in the crystal.

  15. Thermodynamic scaling of molecular dynamics in supercooled ibuprofen.

    Science.gov (United States)

    Adrjanowicz, K; Wojnarowska, Z; Paluch, M; Pionteck, J

    2011-04-28

    It was shown recently that ibuprofen revealed a strong tendency to form hydrogen bonded aggregates such as dimers and trimers of either cyclic or linear geometry, which somehow seems to control molecular mobility of that drug [Brás et al. J. Phys. Chem. B2008, 112 (35), 11 087-11 099]. For such hydrogen-bonded liquids, superpositioning of dynamics under various temperature T, pressure P, and volume V conditions, when plotted versus the scaling function of T(-1)V(-γ) (where γ is a material constant), may not always be satisfying. In the present work, we have tested the validity of this scaling for supercooled ibuprofen. In order to do that, pressure-volume-temperature (PVT) measurements combined with isobaric and isothermal dielectric relaxation studies (pressure up to 310 MPa) were carried out. The scaling properties of the examined drug were derived from the fitting of the τ(α)(T,V) dependences to the modified Avramov equation and by analyzing in double logarithmic scale the T(g)(V(g)) dependences, where the glass transition temperature T(g) and volume V(g) were defined for various relaxation times. In view of the obtained results, we conjecture that for ibuprofen the thermodynamic scaling idea works but not perfectly. The slight departure from the scaling behavior is discussed in the context of the hydrogen bonding abilities of the examined system and compared with the results reported for other strongly associated liquids.

  16. Density of Ni-Al Alloys in Liquid and Solid-Liquid Coexistence State Measured by a Modified Pycnometric Method

    Institute of Scientific and Technical Information of China (English)

    Liang FANG; Feng XIAO; Zushu LI; Zainan TAO

    2004-01-01

    The density of Ni-Al alloys in both liquid state and solid-liquid coexistence state was measured with a modified pycnometric method. It was found that the density of NI-Al alloys decreases with increasing temperature and Al concentration in the alloys. The molar volume of liquid Ni-Al binary alloys increases with the increase of temperature and Al concentration. The partial molar volume of Al in NI-Al binary alloy was calculated approximately. The molar volume of liquid NI-Al alloy determined in the present work shows a negative deviation from the ideal linear molar volume.

  17. Temperature dependence of density, thermal expansion coefficient and shear viscosity of supercooled glycerol as a reflection of its structure.

    Science.gov (United States)

    Blazhnov, Ivan V; Malomuzh, Nikolay P; Lishchuk, Sergey V

    2004-10-01

    The relationship of the microstructure of supercooled, highly viscous glycerol to the temperature dependence of its density, thermal expansion coefficient, and shear viscosity are discussed. The character of this temperature dependence at the transition from low viscosity state to the solid amorphous state (solidified state without nuclei) is described with help of function psi, which can be interpreted as the effective number of degrees of freedom responsible for the change of viscosity of glycerol over a broad range; these degrees of freedom are those related to the alpha-relaxation process. It is shown that the change in effective activation energy of the viscosity is completely determined by the parameter psi. The change in the shear viscosity of glycerol due to the influence of the solid-phase nuclei is considered. It is shown that the introduction of the parameter phi, equal to the specific volume occupied by the nuclei of the solid phase, together with psi provides a natural explanation of the temperature dependence of density and thermal expansion coefficients of glycerol in its liquid, solid amorphous, glassy, and crystal states. The peculiarities of the temperature dependence of phi(T) and psi(T) for glycerol and o-terphenyl are compared.

  18. Equation of state measurements in liquid deuterium to 100 GPa

    CERN Document Server

    Knudson, M D; Bailey, J E; Lemke, R W; Hall, C A; Deeney, C; Asay, J R

    2003-01-01

    Using intense magnetic pressure, a method was developed to launch flyer plates to velocities in excess of 20 km s sup - sup 1. This technique was used to perform plate-impact, shock wave experiments on cryogenic liquid deuterium (LD sub 2) to examine its high-pressure equation of state (EOS). Using an impedance matching method, Hugoniot measurements were obtained in the pressure range of 22-100 GPa. The results of these experiments disagree with the previously reported Hugoniot measurements of LD sub 2 in the pressure range above approx 40 GPa, but are in good agreement with first principles, ab initio models for hydrogen and its isotopes.

  19. Acoustic and thermal anomalies in a liquid-glass transition of racemic S(+)-R(-) ketoprofen

    Science.gov (United States)

    Shibata, Tomohiko; Takayama, Haruki; Kim, Tae Hyun; Kojima, Seiji

    2014-01-01

    Acoustic and thermal properties of pharmaceutical racemic S(+)-R(-) ketoprofen were investigated in wide temperature range including glassy, supercooled liquid and liquid states by Brillouin scattering and temperature modulated DSC. Sound velocity and acoustic attenuation exhibited clear changes at 265 K indicating a liquid-glass transition and showed the typical structural relaxation above Tg. The high value of the fragility index m = 71 was determined by the dispersion of the complex heat capacity. New relaxation map was suggested in combination with previous study of dielectric measurement.

  20. Transitions through critical temperatures in nematic liquid crystals

    KAUST Repository

    Majumdar, Apala

    2013-08-06

    We obtain estimates for critical nematic liquid crystal (LC) temperatures under the action of a slowly varying temperature-dependent control variable. We show that biaxiality has a negligible effect within our model and that these delay estimates are well described by a purely uniaxial model. The static theory predicts two critical temperatures: the supercooling temperature below which the isotropic phase loses stability and the superheating temperature above which the ordered nematic states do not exist. In contrast to the static problem, the isotropic phase exhibits a memory effect below the supercooling temperature in the dynamic framework. This delayed loss of stability is independent of the rate of change of temperature and depends purely on the initial value of the temperature. We also show how our results can be used to improve estimates for LC material constants. © 2013 American Physical Society.

  1. Simulation study of water and sugar dynamics in supercooled mixtures

    Science.gov (United States)

    Molinero, Valeria; Cagin, Tahir; Goddard, William A.

    2003-03-01

    Water dynamics in concentrated carbohydrate solutions is of utmost importance in food and pharmaceutical technology, where low water mobility is desirable to slow down chemical degradation and preserve biomolecules. We have studied the microscopic mechanism of water diffusion in binary and polydisperse malto-oligosaccharides and water mixtures by means of molecular dynamics simulations. The computations were performed with a coarse grain model (M3B), derived from atomistic simulations of water and malto-oligosaccharides. The use of the M3B model permits simulations of the order of 0.1 microsecond, thus allowing us to explore water dynamics from the liquid to the deep supercooled regime. The dynamics of water confined in the sugar matrix is slowed down with respect to bulk water. We found that at low moisture content and low temperature, ranslational diffusion of water and glucose rotation proceed through a hopping-diffusion mechanism. Moreover, we found water mobility to be heterogeneous: there is a broad distribution of time scales for different water molecules in the mixtures. We discuss whether there is a relationship between the heterogeneous structure of these mixtures in the sub-nanometer scale and the heterogeneous dynamics of water molecules.

  2. Supercooling transition in phase separated manganite thin films: An electrical transport study

    Science.gov (United States)

    Singh, Sandeep; Kumar, Pawan; Siwach, P. K.; Tyagi, Pawan Kumar; Singh, H. K.

    2014-05-01

    The impact of variation in the relative fractions of the ferromagnetic metallic and antiferromagnetic/charge ordered insulator phases on the supercooling/superheating transition in strongly phase separated system, La5/8-yPryCa3/8MnO3 (y ≈ 0.4), has been studied employing magnetotransport measurements. Our study clearly shows that the supercooling transition temperature is non-unique and strongly depends on the magneto-thermodynamic path through which the low temperature state is accessed. In contrast, the superheating transition temperature remains constant. The thermo-magnetic hysteresis, the separation of the two transitions and the associated resistivity, all are functions of the relative fraction of the coexisting phases.

  3. Study on Supercooling Point and Freezing Point in Floral Organs of Apricot

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Under the environment of an artificial climate chamber, supercooling point (SCP) and freezing point (FP) in flower and young fruit at different development stages and freezing injuries of floral organs were studied. The apricot cultivars tested were Kety, Golden Sun and Honghebao. With the development of flower buds, SCP and FP increased, which indicated that their cold resistance decreased. SCP and FP varied with different floral organs. For different apricot cultivars, it was found that, the lower SCP or FP in floral organs was, the more resistant capacity the cultivar had, and the larger the temperature interval from SCP to FP was. SCP was not a constant value, but a range. Frequency distribution of SCP in petals was more dispersing than that in stamens and pistils. Floral organs could maintain a supercooling state to avoid ice formation, but they were sensitive to freezing. Once floral organs froze, they turned brown after thawing.

  4. Numerical and experimental verification of a theoretical model of ripple formation in ice growth under supercooled water film flow

    Energy Technology Data Exchange (ETDEWEB)

    Ueno, K; Farzaneh, M [NSERC/Hydro-Quebec/UQAC Industrial Chair on Atmospheric Icing of Power Network Equipment (CIGELE) and Canada Research Chair on Engineering of Power Network Atmospheric Icing (INGIVRE), Universite du Quebec a Chicoutimi, 555 Boulevard de l' Universite, Chicoutimi, Quebec, G7H 2B1 (Canada); Yamaguchi, S [Snow and Ice Research Center, National Research Institute for Earth Science and Disaster Prevention, Nagaoka, 940-0821 (Japan); Tsuji, H [Research Institute for Applied Mechanics, Kyushu University, Kasuga, Fukuoka, 816-8580 (Japan)], E-mail: kazuto.ueno@uqac.ca

    2010-04-15

    Little is known about morphological instability of a solidification front during the crystal growth of a thin film of flowing supercooled liquid with a free surface: for example, the ring-like ripples on the surface of icicles. The length scale of the ripples is nearly 1 cm. Two theoretical models for the ripple formation mechanism have been proposed. However, these models lead to quite different results because of differences in the boundary conditions at the solid-liquid interface and liquid-air surface. The validity of the assumption used in the two models is numerically investigated and some of the theoretical predictions are compared with experiments.

  5. Inferring the equation of state of shocked liquid deuterium

    Science.gov (United States)

    Falk, K.; Murphy, C. D.; Gregori, G.; Regan, S. P.; Radha, P. B.; Boehly, T. R.; Barrios, M. A.; Fratanduono, D. E.; Hu, S. X.; Gericke, D. O.; Vorberger, J.; Glenzer, S. H.; Hicks, D. G.

    2010-11-01

    The equation of state of light elements is essential to understanding the structure of Jovian planets. Here we present a combination of experimental techniques used to characterize warm dense deuterium. The OMEGA laser was used to directly drive a shock wave in a planar liquid-deuterium target. The shocked D2 conditions were diagnosed using VISAR and pyrometry to obtain the shock velocity and temperature. Two shock waves were launched with velocities of 17±0.9 and 23±1.0 km/s, as a result of intensity variations in the staggered laser beam drive. Using a blackbody approximation, a temperature of 0.4 to 0.8 eV range was inferred. Various equation of state models including SESAME, PROPACEOS, DFT-MD and Saumon & Chabrier EOS were used to obtain a range pressures (0.4-0.5 Mbar) and densities (0.65-0.88 g/cc). Differences between models will be discussed. Preliminary data from X-ray scattering, providing a direct measurement of microscopic state of the deuterium for extreme conditions not accessible with VISAR, will also be presented.

  6. Effect of phase separation induced supercooling on magnetotransport properties of epitaxial La5/8−yPryCa3/8MnO3 (y≈0.4 thin film

    Directory of Open Access Journals (Sweden)

    Sandeep Singh

    2015-02-01

    Full Text Available Thin films of La5/8−yPryCa3/8MnO3 (y≈0.4 have been grown on single crystal SrTiO3 (001 by RF sputtering. The structural and surface characterizations confirm the epitaxial nature of these film. However, the difference between the ω-scan of the (002 and (110 peaks and the presence of pits/holes in the step-terrace type surface morphology suggests high density of defect in these films. Pronounced hysteresis between the field cooled cooling (FCC and field cooled warming (FCW magnetization measurements suggest towards the non-ergodic magnetic state. The origin of this nonergodicity could be traced to the magnetic liquid like state arising from the delicacy of the coexisting magnetic phases, viz., ferromagnetic and antiferromagnetic-charge ordered (FM/AFM-CO. The large difference between the insulator metal transitions during cooling and warming cycles (TIMC ∼ 64 K and TIMW ∼ 123 K could be regarded as a manifestation of the nonergodicity leading to supercooling of the magnetic liquid while cooling. The nonergodicity and supercooling are weakened by the AFM-FM phase transition induced by an external magnetic field. TIM and small polaron activation energy corresponding the magnetic liquid state (cooling cycle vary nonlinearly with the applied magnetic field but become linear in the crystalline solid state (warming cycle. The analysis of the low temperature resistivity data shows that electron-phonon interaction is drastically reduced by the applied magnetic field. The resistivity minimum in the lower temperature region of the self-field warming curve has been explained in terms of the Kondo like scattering in the magnetically inhomogeneous regime.

  7. Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water.

    Science.gov (United States)

    Wikfeldt, K T; Huang, C; Nilsson, A; Pettersson, L G M

    2011-06-07

    We present extensive simulations on the TIP4P∕2005 water model showing significantly enhanced small-angle scattering (SAS) in the supercooled regime. The SAS is related to the presence of a Widom line (T(W)) characterized by maxima in thermodynamic response functions and Ornstein-Zernike correlation length. Recent experimental small-angle x-ray scattering data [Huang et al., J. Chem. Phys. 133, 134504 (2010)] are excellently reproduced, albeit with an increasing temperature offset at lower temperatures. Assuming the same origin of the SAS in experiment and model this suggests the existence of a Widom line also in real supercooled water. Simulations performed at 1000 bar show an increased abruptness of a crossover from dominating high-density (HDL) to dominating low-density (LDL) liquid and strongly enhanced SAS associated with crossing T(W), consistent with a recent determination of the critical pressure of TIP4P∕2005 at 1350 bar. Furthermore, good agreement with experimental isothermal compressibilities at 1000, 1500, and 2000 bar shows that the high pressure supercooled thermodynamic behavior of water is well described by TIP4P∕2005. Analysis of the tetrahedrality parameter Q reveals that the HDL-LDL structural transition is very sharp at 1000 bar, and that structural fluctuations become strongly coupled to density fluctuations upon approaching T(W). Furthermore, the tetrahedrality distribution becomes bimodal at ambient temperatures, an observation that possibly provides a link between HDL-LDL fluctuations and the structural bimodality in liquid water indicated by x-ray spectroscopic techniques. Computed x-ray absorption spectra are indeed found to show sensitivity to the tetrahedrality parameter.

  8. Observations on the Freezing of Supercooled Pollen Washing Water by a New Electrodynamic Balance

    Science.gov (United States)

    Tong, Haijie; Pope, Francis D.; Kalberer, Markus

    2014-05-01

    Primary biological particles can act as efficient ice nuclei (IN) by initiating freezing events at temperatures warmer than the homogenous freezing temperature [1, 2]. For example, pollen grain particles can trigger freezing events at temperatures as warm as -5 °C in the contact freezing mode [3]. More recently pollen residues, which are released by washing pollen grains in water, were also observed to act as efficient IN in the immersion mode [4, 5]. In this study we developed a new cold electrodynamic balance (CEDB) system and investigated the freezing properties of single particles of supercooled pollen washing water (SPWW). The EDB technique allows for a contact free measurement of freezing events. The phase of the particle (liquid or frozen solid) can be distinguished via measuring the Mie scattering signal from the particle. Furthermore the size of liquid (spherical) particles can be determined. The freezing events are characterized through the loss of the regular Mie scattering signal from the levitated droplet as it changes state from liquid to a frozen solid. The statistical freezing probabilities of SPWW were obtained in the temperature range: -15 to -40 °C. Each temperature measurement point consists of the analysis of 30-100 droplets. Preliminary conclusions are that SPWW is IN active in the immersion mode. Further discussion will focus on the temperature range of the IN activity, the important variables (other than temperature) for IN activity, other likely modes of IN activity, and the implications of these results in terms of the atmospheric relevance of SPWW. This study was supported by the NERC. We acknowledge Professor Jonathan Reid and James Davis from the University of Bristol for providing information of the design of the warm EDB system. References: [1] Möhler, O., et al. (2007) Biogeosciences, 4, 1059-1071. [2] Prenni, A. J., et al. (2009) Nat. Geosci., 2, 401-404. [3] Diehl, K., et al. (2002) Atmos. Res., 61, 125-133. [4] Pummer, B. G

  9. Primary and secondary relaxations in supercooled eugenol and isoeugenol at ambient and elevated pressures: Dependence on chemical microstructure

    Science.gov (United States)

    Kaminska, E.; Kaminski, K.; Paluch, M.; Ngai, K. L.

    2006-04-01

    Dielectric loss spectra of two glass-forming isomers, eugenol and isoeugenol, measured at ambient and elevated pressures in the normal liquid, supercooled, and glassy states are presented. The isomeric chemical compounds studied differ only by the location of the double bond in the alkyl chain. Above the glass transition temperature Tg, the dielectric loss spectra of both isomers exhibit an excess wing on the high frequency flank of the loss peak of the α relaxation and an additional faster γ process at the megahertz frequency range. By decreasing temperature below Tg at ambient pressure or by elevating pressure above Pg, the glass transition pressure, at constant temperature, the excess wing of isoeugenol shifts to lower frequencies and is transformed into a secondary β-loss peak, while in eugenol it becomes a shoulder. These spectral features enable the β-relaxation time τβ to be determined in the glassy state. These changes indicate that the excess wings in isoeugenol and eugenol are similar and both are secondary β relaxations that are not resolved in the liquid state. While in both isoeugenol and eugenol the loss peak of the β relaxation in the glassy state and the corresponding excess wing in the liquid state shifts to lower frequencies on elevating pressure, the locations of their γ relaxation show little change with increasing pressure. The different pressure sensitivities of the excess wing and γ relaxation are further demonstrated by the nearly perfect superposition of the α-loss peak together with excess wing from the data taken at ambient pressure and at elevated pressure (and higher temperature so as to have the same α-peak frequency), but not the γ-loss peak in both isoeugenol and eugenol. On physical aging isoeugenol, the β-loss peak shifts to lower frequencies, but not the γ relaxation. Basing on these experimental facts, the faster γ relaxation is a local intramolecular process involving a side group and the slower β relaxation

  10. MODELING VAPOR LIQUID EQUILIBRIUM OF IONIC LIQUIDS plus GAS BINARY SYSTEMS AT HIGH PRESSURE WITH CUBIC EQUATIONS OF STATE

    OpenAIRE

    Freitas, ACD; Cunico, LP; M. Aznar; Guirardello,R.

    2013-01-01

    Ionic liquids (IL) have been described as novel environmentally benign solvents because of their remarkable characteristics. Numerous applications of these solvents continue to grow at an exponential rate. In this work, high pressure vapor liquid equilibria for 17 different IL + gas binary systems were modeled at different temperatures with Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state, combined with the van der Waals mixing rule with two binary interaction parameters (v...

  11. Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin

    Science.gov (United States)

    Zhang, Yang; Tyagi, Madhusudan; Mamontov, Eugene; Chen, Sow-Hsin

    2012-02-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent β(Q) is independent of the wavevector transfer Q in the measured Q range and (ii) the structural relaxation time τ(Q) follows a power-law dependence on Q. Consequently, the Q-independent structural relaxation time τ0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of τ0 can be fitted with the mode-coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by Tokuyama in the measured temperature range. The calculated dynamic response function χT(Q, t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement langx2rang and the non-Gaussian parameter α2 extracted from the elastic scattering.

  12. Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Yuntao; Petrik, Nikolay G.; Smith, R. Scott; Kay, Bruce D.; Kimmel, Greg A.

    2016-12-12

    Understanding deeply supercooled water is key to unraveling many of water’s anomalous properties. However, this has proven difficult due to rapid and uncontrolled crystallization. Using a pulsed laser heating technique, we measure the growth rate of crystalline ice, G(T), for 180 K < T < 262 K, i.e. deep within water’s “no man’s land.” The self-diffusion of supercooled liquid water, D(T), is obtained from G(T) using the Wilson-Frenkel model of crystal growth. For T > 237 K, G(T) and D(T) have super-Arrhenius (“fragile”) temperature dependences, but both crossover to Arrhenius (“strong”) behavior with a large activation energy in “no man’s land.” The fact that G(T) and D(T) are smoothly varying rules out the hypothesis that liquid water’s properties have a singularity at or near 228 K. However the results are consistent with a previous prediction for D(T) that assumed no thermodynamic transitions occur in “no man’s land.

  13. Quasi-Elastic Neutron Scattering Studies of the Slow Dynamics of Supercooled and Glassy Aspirin

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yang [ORNL; Tyagi, M. [NCNR and University of Maryland; Mamontov, Eugene [ORNL; Chen, Sow-hsin H [ORNL

    2011-01-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 K down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent (Q) is independent of the wave vector transfer Q in the measured Q-range, and (ii) the structural relaxation time (Q) follows a power law dependence on Q. Consequently, the Q-independent structural relaxation time 0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of 0 can be fitted with the mode coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by M. Tokuyama in the measured temperature range. The calculated dynamic response function T(Q,t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows a direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement x2 and non-Gaussian parameter 2 extracted from the elastic scattering.

  14. Structural properties of effective potential model by liquid state theories

    Institute of Scientific and Technical Information of China (English)

    Xiang Yuan-Tao; Andrej Jamnik; Yang Kai-Wei

    2010-01-01

    This paper investigates the structural properties of a model fluid dictated by an effective inter-particle oscillatory potential by grand canonical ensemble Monte Carlo (GCEMC) simulation and classical liquid state theories. The chosen oscillatory potential incorporates basic interaction terms used in modeling of various complex fluids which is composed of mesoscopic particles dispersed in a solvent bath, the studied structural properties include radial distribution function in bulk and inhomogeneous density distribution profile due to influence of several external fields. The GCEMC results are employed to test the validity of two recently proposed theoretical approaches in the field of atomic fluids. One is an Ornstein-Zernike integral equation theory approach; the other is a third order + second order perturbation density functional theory. Satisfactory agreement between the GCEMC simulation and the pure theories fully indicates the ready adaptability of the atomic fluid theories to effective model potentials in complex fluids, and classifies the proposed theoretical approaches as convenient tools for the investigation of complex fluids under the single component macro-fluid approximation.

  15. Supercooled water in austral summer in Prydz Bay,Antarctica

    Institute of Scientific and Technical Information of China (English)

    SHI Jiuxin; CHENG Yaoyao; JIAO Yutian; HOU Jiaqiang

    2011-01-01

    Supercooled water with temperatures below freezing point, was identified from hydrographic data obtained by Chinese and Australian expeditions to Prydz Bay, Antarctica, during the austral summer. The study shows that most supercooled waters occurred at depths of 63-271 m in the region north of the Amery Ice Shelf (AIS) front. The maximum supercooling was 0.16℃ below the in-situ freezing point. In temperature and salinity ranges of-2.14 - -1.96℃ and 34.39--34.46, respectively,the water was colder and fresher than peripheral shelf water. The supercooled water had less variability in the vertical profiles compared to shelf water. Based on analysis of their thermohaline features and spatial distribution, as well as the circulation pattern in Prydz Bay, we conclude that these supercooled waters originated from a cavity beneath the AIS and resulted from upwelling just outside of the AIS front. Water emerging from the ice shelf cools to an extremely low temperature (about -2.0℃) by additional cooling from the ice shelf, and becomes buoyant with the addition of melt water from the ice shelf base. When this water flows out of the ice shelf front, its upper boundary is removed, and thus it rises abruptly. Once the temperature of this water reaches below the freezing point, supercooling takes place. In summer, the seasonal pycnocline at ~100 m water depth acts as a barrier to upwelling and supercooling. The upwelling of ice shelf outflow water illuminates a unique mid-depth convection of the polar ocean.

  16. The Transient Supercooling Enhancement For A Pulsed Thermoelectric Cooler (TEC)

    OpenAIRE

    Mao, Jia-ni; Du, Jun-yan; Wang, Shi-fei; Zhou, Jing-wei; Wang, Yu-Gang

    2016-01-01

    Once TEC excitated by a high-voltage pulse, there exists a transient thermoelectric supercooling effect, which can be enhanced by keeping on increasing the Peltier cooling effect to compensate for the negative self-heating from the Joule heating effect and Fourier heat conduction effect. After superimposing an additional voltage pulse over a steady-state reference value in a short time scale, abrupt temperature drop will be produc...

  17. The Transient Supercooling Enhancement For A Pulsed Thermoelectric Cooler (TEC)

    OpenAIRE

    Mao, Jia-ni; Du, Jun-yan; Wang, Shi-fei; Zhou, Jing-wei; Wang, Yu-Gang

    2016-01-01

    Once TEC excitated by a high-voltage pulse, there exists a transient thermoelectric supercooling effect, which can be enhanced by keeping on increasing the Peltier cooling effect to compensate for the negative self-heating from the Joule heating effect and Fourier heat conduction effect. After superimposing an additional voltage pulse over a steady-state reference value in a short time scale, abrupt temperature drop will be produc...

  18. Liquid-liquid phase transition in Stillinger-Weber silicon

    Energy Technology Data Exchange (ETDEWEB)

    Beaucage, Philippe; Mousseau, Normand [Departement de Physique and Regroupement Quebecois sur les Materiaux de Pointe, Universite de Montreal, CP 6128, Succursale Centre-ville, Montreal, QC, H3C 3J7 (Canada)

    2005-04-20

    It was recently demonstrated that Stillinger-Weber silicon undergoes a liquid-liquid first-order phase transition deep into the supercooled region (Sastry and Angell 2003 Nat. Mater. 2 739). Here we study the effects of perturbations on this phase transition. We show that the order of the liquid-liquid transition changes with negative pressure. We also find that the liquid-liquid transition disappears when the three-body term of the potential is strengthened by as little as 5%. This implies that the details of the potential could affect strongly the nature and even the existence of the liquid-liquid phase.

  19. Droplet-Sizing Liquid Water Content Sensor Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Icing is one of the most significant hazards to aircraft. A sizing supercooled liquid water content (SSLWC) sonde is being developed to meet a directly related need...

  20. Liquid-Gas Phase Transition in Nuclear Equation of State

    CERN Document Server

    Lee, S J

    1997-01-01

    A canonical ensemble model is used to describe a caloric curve of nuclear liquid-gas phase transition. Allowing a discontinuity in the freeze out density from one spinodal density to another for a given initial temperature, the nuclear liquid-gas phase transition can be described as first order. Averaging over various freeze out densities of all the possible initial temperatures for a given total reaction energy, the first order characteristics of liquid-gas phase transition is smeared out to a smooth transition. Two experiments, one at low beam energy and one at high beam energy show different caloric behaviors and are discussed.

  1. Effects of PVA(Polyvinyl Alcohol) on Supercooling Phenomena of Water

    Science.gov (United States)

    Kumano, Hiroyuki; Saito, Akio; Okawa, Seiji; Takizawa, Hiroshi

    In this paper, effects of polymer additive on supercooling of water were investigated experimentally. Poly-vinyl alcohol (PVA) were used as the polymer, and the samples were prepared by dissolving PVA in ultra pure water. Concentration, degree of polymerization and saponification of PVA were varied as the experimental parameters. The sample was cooled, and the temperature at the instant when ice appears was measured. Since freezing of supercooled water is statistical phenomenon, many experiments were carried out and average degrees of supercooling were obtained for each experimental condition. As the result, it was found that PVA affects nucleation of supercooling and the degree of supercooling increases by adding the PVA. Especially, it is found that the average degree of supercooling increases and the standard deviation of average degree of supercooling decreases with increase of degree of saponification of PVA. However, the average degree of supercooling are independent of the degree of polymerization of PVA in the range of this study.

  2. Applications of liquid state physics to the earth's core

    Science.gov (United States)

    Stevenson, D. J.

    1980-01-01

    New results derived for application to the earth's outer core using the modern theory of liquids and the hard-sphere model of liquid structure are presented. An expression derived in terms of the incompressibility and pressure is valid for a high-pressure liquid near its melting point, provided that the pressure is derived from a strongly repulsive pair potential; a relation derived between the melting point and density leads to a melting curve law of essentially the same form as Lindemann's law. Finally, it is shown that the 'core paradox' of Higgins and Kennedy (1971) can occur only if the Gruneisen parameter is smaller than 2/3, and this constant is larger than this value in any liquid for which the pair potential is strongly repulsive.

  3. Bringing to Light Hidden Elasticity in the Liquid State Using In-Situ Pretransitional Liquid Crystal Swarms.

    Directory of Open Access Journals (Sweden)

    Philipp Kahl

    Full Text Available The present work reveals that at the sub-millimeter length-scale, molecules in the liquid state are not dynamically free but elastically correlated. It is possible to "visualize" these hidden elastic correlations by using the birefringent properties of pretransitional swarms persistent in liquids presenting a weak first order transition. The strategy consists in observing the optical response of the isotropic phase of mesogenic fluids to a weak (low energy mechanical excitation. We show that a synchronized optical response is observable at frequencies as low as 0.01Hz and at temperatures far away from any phase transition (up to at least 15°C above the transition. The observation of a synchronized optical signal at very low frequencies points out a collective response and supports the existence of long-range elastic (solid-like correlations existing at the sub-millimeter length-scale in agreement to weak solid-like responses already identified in various liquids including liquid water. This concept of elastically linked molecules differs deeply with the academic view of molecules moving freely in the liquid state and has profound consequences on the mechanisms governing collective effects as glass formation, gelation and transport, or synchronized processes in physiological media.

  4. Slow dynamics and local quasi-equilibrium-relaxation in supercooled colloidal systems

    Energy Technology Data Exchange (ETDEWEB)

    RubI, J M; SantamarIa-Holek, I; Perez-Madrid, A [Department de Fisica Fonamental, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain)

    2004-06-09

    We present a Fokker-Planck description of supercooled colloidal systems exhibiting slow relaxation dynamics. Assuming the existence of a local quasi-equilibrium state during the relaxation of the system, we derive a non-Markovian Fokker-Planck equation for the non-stationary conditional probability. A generalized Stokes-Einstein relation containing the temperature of the system at local quasi-equilibrium instead of the temperature of the bath is obtained. Our results explain experiments showing that the diffusion coefficient is not proportional to the inverse of the effective viscosity at frequencies related to the diffusion timescale.

  5. Nature of large aggregates in supercooled aqueous solutions of sodium dodecyl sulfate

    Energy Technology Data Exchange (ETDEWEB)

    Franses, E.I. (Purdue Univ., West Lafayette, IN); Davis, H.T.; Miller, W.G.; Scriven, L.E.

    1980-09-18

    Preparations of 2.0 and 5.5 wt % sodium dodecyl sulfate (SDS) in 3.5 wt % (0.6 M) aqueous NaCl are equilibrium micellar solutions above 28/sup 0/C, the Krafft point of the surfactant at this salinity. These systems can be supercooled and remain transparent for hours and days. At 25/sup 0/C at equilibrium they are biphasic, a hydrated crystal phase and an aqueous salt solution phase containing only 0.01/sub 2/ wt % SDS. Conductimetry and /sup 13/C NMR show that these transparent supercooled systems are indeed supersaturated solutions and not microdispersions of the hydrated crystal. The time lag for the onset of nucleation of the crystals depends strongly on stirring details and probably on presence of gas-liquid interface. The big nonequilibrium aggregates present in the supersaturated systems resemble micelles in conductivity and molecular motion, and are likely to be metastable micelles as is presumed by Mazer, Benedek, and Carey. 21 references, 6 figures, 1 table.

  6. Liquid-state physical chemistry fundamentals, modeling, and applications

    CERN Document Server

    de With, Gijsbertus

    2013-01-01

    For many processes and applications in science and technology a basic knowledge of liquids and solutions is a must. Gaining a better understanding of the behavior and properties of pure liquids and solutions will help to improve many processes and to advance research in many different areas. This book provides a comprehensive, self-contained and integrated survey of this topic and is a must-have for many chemists, chemical engineers and material scientists, ranging from newcomers in the field to more experienced researchers. The author offers a clear, well-structured didactic approach and provides an overview of the most important types of liquids and solutions. Special topics include chemical reactions, surfaces and phase transitions. Suitable both for introductory as well as intermediate level as more advanced parts are clearly marked. Includes also problems and solutions.

  7. Liquid-state physical chemistry fundamentals, modeling, and applications

    CERN Document Server

    de With, Gijsbertus

    2013-01-01

    For many processes and applications in science and technology a basic knowledge of liquids and solutions is a must. Gaining a better understanding of the behavior and properties of pure liquids and solutions will help to improve many processes and to advance research in many different areas. This book provides a comprehensive, self-contained and integrated survey of this topic and is a must-have for many chemists, chemical engineers and material scientists,ranging from newcomers in the field to more experienced researchers. The author offers a clear, well-structured didactic approach and pr

  8. The Liquid Crystal State Poliamidbenzimidazola Solutions in Sulfuric Acid

    Directory of Open Access Journals (Sweden)

    Khanchich Oleg

    2017-01-01

    Full Text Available We studied the temperature and concentration conditions of education and the field of LC – phase of existence in sulfuric acid solutions poliamidbenzimidazola. The polarization–optical methods and the structural features of biphasic and anisotropic areas and built plots the phase diagram of the concentrated solutions poliamidbenzimidazola in H2SO4. It is shown that in certain temperature – concentration of cooling modes can be observed the coexistence of three phases: isotropic crystal and a liquid crystal, which is shown as a characteristic of liquid crystal birefringent domains.

  9. Evaporative supercooling characteristics of single water droplet in ice-slurry production system with evaporative supercooled water%蒸发式过冷水制冰中单个水滴的蒸发过冷特性

    Institute of Scientific and Technical Information of China (English)

    闫俊海; 张小松

    2012-01-01

    To analyze the evaporation characteristics of single water droplet in low temperature and low humidity ratio air in ice production system with evaporative supercooled water, a mathematical model of evaporative supercooling process of single water droplet was proposed. The evaporation process of droplet in supercooling stage was simulated with theoretical model and the results are basically consistent with the experiment on suspended single water droplet, so it is feasible to predict the evaporative supercooling characteristics of small water droplet by the mathematical model. The influence of initial diameter and temperature of water droplet, air temperature, humidity ratio of air, and air velocity on the temperature of water droplet during its evaporative supercooling process was analyzed. The numerical results show that smaller diameter and lower temperature of water droplet and larger air velocity can increase the cooling rate of water droplet and shorten the supercooling time reaching steady state evaporation stage. Additionally, lowering the temperature or humidity ratio of air can not only improve the cooling rate of water droplet, but also increase the supercooling degree of water droplet reaching steady state evaporation stage. The investigation of evaporative supercooling process of water droplet can provide a foundation for improving the efficiency of ice production and optimal design for ice-making system with evaporative supercooled water.%为分析蒸发式过冷水制冰中单个水滴在此低温低湿空气环境中的蒸发特性,建立了水滴蒸发过冷过程的数理模型.通过悬挂水滴实验与模拟结果的对比,验证了模型的有效性.因此利用该数学模型预测微小直径水滴的蒸发特性是可行的.通过模拟计算获得了水滴初始直径、初始水温、空气温度、空气含湿量和空气流速对水滴蒸发过冷过程的影响.结果表明,水滴初始直径越小、温度越低或空气流速越大,

  10. Two state electron model for geminate recombination of electron-ion pairs in liquid isooctane

    Science.gov (United States)

    Lukin, L. V.; Yakovlev, B. S.

    2011-04-01

    Recombination kinetics of geminate electron-ion pairs is considered in the framework of the two state model for electron transport in liquid hydrocarbons. It is shown that the model well reproduces recent experimental data on the subpicosecond geminate recombination obtained in liquid isooctane. The life time of electrons in a localized state in isooctane is estimated to lie in the range between 0.14 ps and 0.57 ps at room temperature.

  11. Glassy Dynamics in Geometrically Frustrated Coulomb Liquids without Disorder

    Science.gov (United States)

    Mahmoudian, Samiyeh; Rademaker, Louk; Ralko, Arnaud; Fratini, Simone; Dobrosavljević, Vladimir

    2015-07-01

    We show that introducing long-range Coulomb interactions immediately lifts the massive ground state degeneracy induced by geometric frustration for electrons on quarter-filled triangular lattices in the classical limit. Important consequences include the stabilization of a stripe-ordered crystalline (global) ground state, but also the emergence of very many low-lying metastable states with amorphous "stripe-glass" spatial structures. Melting of the stripe order thus leads to a frustrated Coulomb liquid at intermediate temperatures, showing remarkably slow (viscous) dynamics, with very long relaxation times growing in Arrhenius fashion upon cooling, as typical of strong glass formers. On shorter time scales, the system falls out of equilibrium and displays the aging phenomena characteristic of supercooled liquids above the glass transition. Our results show remarkable similarity with the recent observations of charge-glass behavior in ultraclean triangular organic materials of the θ -(BEDT -TTF )2 family.

  12. A non-equilibrium state diagram for liquid/fluid/particle mixtures.

    Science.gov (United States)

    Velankar, Sachin S

    2015-11-21

    The equilibrium structures of ternary oil/water/surfactant systems are often represented within a triangular composition diagram with various regions of the triangle corresponding to different equilibrium states. We transplant this idea to ternary liquid/fluid/particle systems that are far from equilibrium. Liquid/liquid/particle mixtures or liquid/gas/particle mixtures yield a wide diversity of morphologies including Pickering emulsions, bijels, pendular aggregates, spherical agglomerates, capillary suspensions, liquid marbles, powdered liquids, and particle-stabilized foams. This paper argues that such ternary liquid/fluid/particle mixtures can be unified into a non-equilibrium state diagram. What is common among all these systems is that the morphology results from an interplay between the preferential wettability of the particles, capillarity, and viscous forces encountered during mixing. Therefore all such systems share certain universal features, regardless of the details of the particles or fluids used. These features guide the construction of a non-equilibrium state diagram which takes the form of a triangular prism, where each triangular cross-section of the prism corresponds to a different relative affinity of the particles towards the two fluids. We classify the prism into regions in which the various morphologies appear and also emphasize the major difference between systems in which the particles are fully-wetted by one of the fluids vs. partially-wetted by both fluids. We also discuss how the state diagram may change with mixing intensity or with interparticle attractions.

  13. An airborne microwave radiometer and measurements of cloud liquid water

    Institute of Scientific and Technical Information of China (English)

    LEI Hengchi; JIN Dezhen; WEI Chong; SHEN Zhilai

    2003-01-01

    A single-channel (9.5 mm) airborne microwave radiometer with one antenna is developed. The retrieval methods and primary observation results of cloud liquid water and super-cooled cloud liquid water are discussed. The aircraft experiments show that the cloud liquid water and super-cooled liquid water can be sensitively monitored at some level of accuracy by the radiometer. The results of cloud liquid water content are reasonable and correspond well with the surface radar echo intensity. The design of the airborne radiometer and its retrieval methods are feasible, giving it application value.

  14. Discrimination of micrometre-sized ice and super-cooled droplets in mixed-phase cloud

    Science.gov (United States)

    Hirst, E.; Kaye, P. H.; Greenaway, R. S.; Field, P.; Johnson, D. W.

    Preliminary experimental results are presented from an aircraft-mounted probe designed to provide in situ data on cloud particle shape, size, and number concentration. In particular, the probe has been designed to facilitate discrimination between super-cooled water droplets and ice crystals of 1-25 μm size within mixed-phase clouds and to provide information on cloud interstitial aerosols. The probe acquires spatial light scattering data from individual particles at throughput rates of several thousand particles per second. These data are logged at 100 ms intervals to allow the distribution and number concentration of each particle type to be determined with 10 m spatial resolution at a typical airspeed of 100 m s -1. Preliminary results from flight data recorded in altocumulus castellanus, showing liquid water phase, mixed phase, and ice phase are presented to illustrate the probe's particle discrimination capabilities.

  15. Size dependence of volume and surface nucleation rates for homogeneous freezing of supercooled water droplets

    Directory of Open Access Journals (Sweden)

    T. Kuhn

    2009-10-01

    Full Text Available We investigated the relative roles of volume and surface nucleation in the freezing of water droplets. Nucleation experiments were carried out in a cryogenic laminar aerosol flow tube using supercooled liquid water aerosols with radii between about 1 and 3 μ m. Temperature- and size-dependent values of volume- and surface-based homogeneous nucleation rate between 234.8 and 236.2 K are derived with help of a microphysical model from aerosol compositions and size distributions based on infrared extinction measurements in the aerosol flow tube. The results show that the contribution from nucleation at the droplet surface increases with decreasing droplet radius and dominates over nucleation in the bulk droplet volume for droplets with radii smaller than approximately 5 μm. This is interpreted in terms of a lowered free energy of ice germ formation in the surface-based process and has implications for the parameterization of homogeneous ice nucleation in numerical models.

  16. Effects of atmospheric dynamics and aerosols on the fraction of supercooled water clouds

    Science.gov (United States)

    Li, Jiming; Lv, Qiaoyi; Zhang, Min; Wang, Tianhe; Kawamoto, Kazuaki; Chen, Siyu; Zhang, Beidou

    2017-02-01

    Based on 8 years of (January 2008-December 2015) cloud phase information from the GCM-Oriented Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) Cloud Product (GOCCP), aerosol products from CALIPSO and meteorological parameters from the ERA-Interim products, the present study investigates the effects of atmospheric dynamics on the supercooled liquid cloud fraction (SCF) during nighttime under different aerosol loadings at global scale to better understand the conditions of supercooled liquid water gradually transforming to ice phase. Statistical results indicate that aerosols' effect on nucleation cannot fully explain all SCF changes, especially in those regions where aerosols' effect on nucleation is not a first-order influence (e.g., due to low ice nuclei aerosol frequency). By performing the temporal and spatial correlations between SCFs and different meteorological factors, this study presents specifically the relationship between SCF and different meteorological parameters under different aerosol loadings on a global scale. We find that the SCFs almost decrease with increasing of aerosol loading, and the SCF variation is closely related to the meteorological parameters but their temporal relationship is not stable and varies with the different regions, seasons and isotherm levels. Obviously negative temporal correlations between SCFs versus vertical velocity and relative humidity indicate that the higher vertical velocity and relative humidity the smaller SCFs. However, the patterns of temporal correlation for lower-tropospheric static stability, skin temperature and horizontal wind are relatively more complex than those of vertical velocity and humidity. For example, their close correlations are predominantly located in middle and high latitudes and vary with latitude or surface type. Although these statistical correlations have not been used to establish a certain causal relationship, our results may provide a unique point of view

  17. Quantum spin liquid ground states of the Heisenberg-Kitaev model on the triangular lattice

    Science.gov (United States)

    Kos, Pavel; Punk, Matthias

    2017-01-01

    We study quantum disordered ground states of the two-dimensional Heisenberg-Kitaev model on the triangular lattice using a Schwinger boson approach. Our aim is to identify and characterize potential gapped quantum spin liquid phases that are stabilized by anisotropic Kitaev interactions. For antiferromagnetic Heisenberg and Kitaev couplings and sufficiently small spin S , we find three different symmetric Z2 spin liquid phases, separated by two continuous quantum phase transitions. Interestingly, the gap of elementary excitations remains finite throughout the transitions. The first spin liquid phase corresponds to the well-known zero-flux state in the Heisenberg limit, which is stable with respect to small Kitaev couplings and develops 120∘ order in the semiclassical limit at large S . In the opposite Kitaev limit, we find a different spin liquid ground state, which is a quantum disordered version of a magnetically ordered state with antiferromagnetic chains, in accordance with results in the classical limit. Finally, at intermediate couplings, we find a spin liquid state with unusual spin correlations. Upon spinon condensation, this state develops Bragg peaks at incommensurate momenta in close analogy to the magnetically ordered Z2 vortex crystal phase, which has been analyzed in recent theoretical works.

  18. The novel metallic states of the cuprates: Topological Fermi liquids and strange metals

    Science.gov (United States)

    Sachdev, Subir; Chowdhury, Debanjan

    2016-12-01

    We review ideas on the nature of the metallic states of the hole-doped cuprate high temperature superconductors, with an emphasis on the connections between the Luttinger theorem for the size of the Fermi surface, topological quantum field theories (TQFTs), and critical theories involving changes in the size of the Fermi surface. We begin with the derivation of the Luttinger theorem for a Fermi liquid, using momentum balance during a process of flux insertion in a lattice electronic model with toroidal boundary conditions. We then review the TQFT of the ℤ spin liquid, and demonstrate its compatibility with the toroidal momentum balance argument. This discussion leads naturally to a simple construction of "topological" Fermi liquid states: the fractionalized Fermi liquid (FL*) and the algebraic charge liquid (ACL). We present arguments for a description of the pseudogap metal of the cuprates using ℤ-FL* or ℤ-ACL states with Ising-nematic order. These pseudogap metal states are also described as Higgs phases of a SU(2) gauge theory. The Higgs field represents local antiferromagnetism, but the Higgs-condensed phase does not have long-range antiferromagnetic order: the magnitude of the Higgs field determines the pseudogap, the reconstruction of the Fermi surface, and the Ising-nematic order. Finally, we discuss the route to the large Fermi surface Fermi liquid via the critical point where the Higgs condensate and Ising nematic order vanish, and the application of Higgs criticality to the strange metal.

  19. Attainable entanglement of unitary transformed thermal states in liquid-state nuclear magnetic resonance with the chemical shift

    CERN Document Server

    Ota, Y; Ohba, I; Yoshida, N; Mikami, Shuji; Ohba, Ichiro; Ota, Yukihiro; Yoshida, Noriyuki

    2006-01-01

    Recently, Yu, Brown, and Chuang [Phys. Rev. A {\\bf 71}, 032341 (2005)] investigated the entanglement attainable from unitary transformed thermal states in liquid-state nuclear magnetic resonance (NMR). Their research gave an insight into the role of the entanglement in a liquid-state NMR quantum computer. Moreover, they attempted to reveal the role of mixed-state entanglement in quantum computing. However, they assumed that the Zeeman energy of each nuclear spin which corresponds to a qubit takes a common value for all; there is no chemical shift. In this paper, we research a model with the chemical shifts and analytically derive the physical parameter region where unitary transformed thermal states are entangled, by the positive partial transposition (PPT) criterion with respect to any bipartition. We examine the effect of the chemical shifts on the boundary between the separability and the nonseparability, and find it is negligible.

  20. The History of Liquid Ear Acupuncture and the Current Scientific State of the Art.

    Science.gov (United States)

    Litscher, Daniela; Litscher, Gerhard

    2016-06-01

    This short review article presents a current overview of existing publications and scientific results regarding liquid (ear) acupuncture. The injection of liquids into defined acupuncture points of the ear is not a method commonly used in the Western world. The term liquid acupuncture has different definitions, which makes understanding each definition and differentiating one from the other difficult. General terms like pharmacopuncture, homeosiniatry, and liquid acupuncture, which all describe the method of injecting different kinds of drugs into a defined body acupuncture point, are used. This article presents the history of liquid acupuncture, as well as the current scientific state of the art, from the point of view of two European researchers. Some articles are discussed and a few practical examples are presented.

  1. Theoretical Study of Renewable Ionic Liquids in the Pure State and with Graphene and Carbon Nanotubes.

    Science.gov (United States)

    García, Gregorio; Atilhan, Mert; Aparicio, Santiago

    2015-09-17

    The N-ethyl-N-(furan-2-ylmethyl)ethanaminium dihydrogen phosphate ionic liquid was studied as a model of ionic liquids which can be produced from totally renewable sources. A computational study using both molecular dynamics and density functional theory methods was carried out. The properties, structuring, and intermolecular interactions (hydrogen bonding) of this fluid in the pure state were studied as a function of pressure and temperature. Likewise, the adsorption on graphene and the confinement between graphene sheets was also studied. The solvation of single walled carbon nanotubes in the selected ionic liquid was analyzed together with the behavior of ions confined inside these nanotubes. The reported results show remarkable properties for this fluid, which show that many of the most relevant properties of ionic liquids and their ability to interact with carbon nanosystems may be maintained and even improved using new families of renewable compounds instead of classic types of ionic liquids with worse environmental, toxicological, and economical profiles.

  2. The Temperature Dependence of the Two Positronium Bubble States in Liquid SF6

    DEFF Research Database (Denmark)

    Jacobsen, F. M.; Eldrup, Morten Mostgaard; Mogensen, O. E.

    1980-01-01

    Positron lifetime measurements have been performed on liquid SF6 in the temperature range from −45°C to 71°C (Tc = 45.65°C). The positron lifetime spectra were resolved into four lifetime components. In the order of increasing lifetimes the four lifetime components are associated with the decay...... state τ3 was found to be 2–2.5 ns in the main part of the temperature range studied. Apparently, this is the first observation of two different o-Ps states in a liquid. The intensity I4 (I3) increases (decreases) from 16.9% (16%) at −45°C to 47.2% (6.4%) at the critical point while above I3 and I4...... are essentially temperature independent. The large Ps bubble state seems to be similar to the Ps bubble state found in most liquids....

  3. QCD equations of state and the quark-gluon plasma liquid model

    Science.gov (United States)

    Letessier, Jean; Rafelski, Johann

    2003-03-01

    Recent advances in the study of equations of state of thermal lattice quantum chromodynamics obtained at nonzero baryon density allow validation of the quark-gluon plasma (QGP) liquid model equations of state (EOS). We study here the properties of the QGP-EOS near to the phase transformation boundary at finite baryon density and show a close agreement with the lattice results.

  4. Generation of live offspring from vitrified embryos with synthetic polymers SuperCool X-1000 and SuperCool Z-1000.

    Science.gov (United States)

    Marco-Jimenez, F; Jimenez-Trigos, E; Lavara, R; Vicente, J S

    2014-01-01

    Ice growth and recrystallisation are considered important factors in determining vitrification outcomes. Synthetic polymers inhibit ice formation during cooling or warming of the vitrification process. The aim of this study was to assess the effect of adding commercially available synthetic polymers SuperCool X-1000 and SuperCool Z-1000 to vitrification media on in vivo development competence of rabbit embryos. Four hundred and thirty morphologically normal embryos recovered at 72 h of gestation were used. The vitrification media contained 20% dimethyl sulphoxide and 20% ethylene glycol, either alone or in combination with 1% of SuperCool X-1000 and 1% SuperCool. Our results show that embryos can be successfully vitrified using SuperCool X-1000 and SuperCool Z-1000 and when embryos are transferred, live offspring can be successfully produced. In conclusion, our results demonstrated that we succeeded for the first time in obtaining live offspring after vitrification of embryos using SuperCool X-1000 and SuperCool Z-1000 polymers.

  5. Tunable metasurfaces and optical Tamm states with liquid crystals (Conference Presentation)

    Science.gov (United States)

    Chen, Kuo-Ping; Lin, Meng-Ying

    2016-09-01

    Planar photonics, like metasurfaces and nanoantennas, got immense attention because of the ability controlling the flow of light. The tunability of metasurfaces system could be realized by combining with liquid crystals. In this work, several novel devices, like tunable nanoantennas array with color, diffraction control of binary gratings metasurfaces, and optical Tamm states would be presented. 1. By comparing different dimensions of nanoantennas, the anchoring energy of liquid crystal could be adjusted in nanoscale. The different shapes of nanoantennas show the difference in color or monotone change when applying different voltages. 2. The diffraction ratio of metasurface could be controlled by nematic liquid crystal by controlling the polarization direction by applying voltages. 3. Optical Tamm states could be realized and adjustable by combining liquid photonic crystal with metasurface. All of those ideas are realized in both modeling and experimental, which could give a great impact to the field of future application in tunable metasurfaces.

  6. Two state electron model for geminate recombination of electron-ion pairs in liquid isooctane

    Energy Technology Data Exchange (ETDEWEB)

    Lukin, L.V., E-mail: lukin@binep.ac.ru [Institute of Energy Problems of Chemical Physics (Branch), Russian Academy of Sciences, Chernogolovka, P.O. Box 56, Moscow oblast 142432 (Russian Federation); Yakovlev, B.S. [Institute of Energy Problems of Chemical Physics (Branch), Russian Academy of Sciences, Chernogolovka, P.O. Box 56, Moscow oblast 142432 (Russian Federation)

    2011-04-28

    Graphical abstract: M + n . h{nu} {yields} mobile electron {yields} trapped electron {yields} free charges. Research highlights: {yields} Electrons produced by ionization of liquid alkanes are trapped near positive ions. {yields} The recombination kinetics was expressed in terms of a trapped electron life time. {yields} Transient absorption after the ionizing pulse was analyzed for liquid isooctane. {yields} The life time of trapped electrons was found. - Abstract: Recombination kinetics of geminate electron-ion pairs is considered in the framework of the two state model for electron transport in liquid hydrocarbons. It is shown that the model well reproduces recent experimental data on the subpicosecond geminate recombination obtained in liquid isooctane. The life time of electrons in a localized state in isooctane is estimated to lie in the range between 0.14 ps and 0.57 ps at room temperature.

  7. 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.

  8. Application of the CPA equation of state to glycol/hydrocarbons liquid-liquid equilibria

    DEFF Research Database (Denmark)

    Derawi, Samer; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2003-01-01

    The Cubic Plus Association (CPA) equation of state is a thermodynamic model, which combines the well-known cubic SRK (Soave-Redlich-Kwong) equation of state and the association term proposed by Wertheim, typically employed in models like SAFT (statistical associating fluid theory). CPA has been...

  9. Liquid-state acoustically-nonlinear nanoplasmonic source of optical frequency combs

    CERN Document Server

    Maksymov, Ivan S

    2016-01-01

    Nonlinear acoustic interactions in liquids are effectively stronger than nonlinear optical interactions in solids. Thus, harnessing these interactions will offer new possibilities in the design of ultra-compact nonlinear photonic devices. We theoretically demonstrate a hybrid, liquid-state and nanoplasmonic, source of optical frequency combs compatible with fibre-optic technology. This source relies on a nanoantenna to harness the strength of nonlinear acoustic effects and synthesise optical spectra from ultrasound.

  10. Optical nanoscopy with excited state saturation at liquid helium temperatures

    Science.gov (United States)

    Yang, B.; Trebbia, J.-B.; Baby, R.; Tamarat, Ph.; Lounis, B.

    2015-10-01

    Optical resolution of solid-state single quantum emitters at the nanometre scale is a challenging step towards the control of delocalized states formed by strongly and coherently interacting emitters. We have developed a simple super-resolution optical microscopy method operating at cryogenic temperatures, which is based on optical saturation of the excited state of single fluorescent molecules with a doughnut-shaped beam. Sub-10 nm resolution is achieved with extremely low excitation intensities, a million times lower than those used in room-temperature stimulated emission depletion microscopy. Compared with super-localization approaches, our technique offers a unique opportunity to super-resolve single molecules with overlapping optical resonance frequencies and paves the way to the study of coherent interactions between single emitters and to the manipulation of their degree of entanglement.

  11. Volume analysis of supercooled water under high pressure

    OpenAIRE

    Duki, Solomon F.; Tsige, Mesfin

    2016-01-01

    Motivated by recent experimental findings on the volume of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric ensemble. Cooling and heating cycles at different isobars and isothermal compression at different temperatures are performed on the water sample with pressures that range from 0 to 1.0 GPa. The cooling simulations are done at temperatures that range from...

  12. Effects of poly-vinyl alcohol on supercooling phenomena of water

    Energy Technology Data Exchange (ETDEWEB)

    Kumano, Hiroyuki; Hirata, Tetsuo; Kudoh, Tomoya [Department of Mechanical Systems Engineering, Shinshu University, 4-17-1, Wakasato, Nagano City, 380-8553 (Japan)

    2009-05-15

    The effects of a polymer additive on the supercooling of water were investigated experimentally. Poly-vinyl alcohols (PVAs) were used as the additives, and samples were prepared by dissolving the PVA in water. Since the characteristics of PVA are decided by its degrees of polymerization and saponification, these were varied along with the concentration as the experimental parameters. Moreover, the effect of purity of the water was also considered. Each sample was cooled and the temperature at the instant when ice appeared was measured. Since the freezing of supercooled water is a statistical phenomenon, many experiments were carried out and the average degree of supercooling was obtained. It was found that PVA affects the nucleation of ice in supercooled water and the degree of supercooling increases with the addition of PVA even for water with low purity. The average degree of supercooling increases with an increase in the degree of saponification of PVA. (author)

  13. Are there Helium-like Protonic States of Individual Water Molecules in Liquid H2O?

    CERN Document Server

    Mueller-Herold, Ulrich

    2015-01-01

    Are there indications that individual H2O molecules in liquid water can loose their bent structure, i.e. that the protons give up their rigid angular correlation and behave largely uncorrelated, similar to electrons in the ground-state of helium? In agreement with the two-state picture of liquid water this would allow for the thermal coexistence of tetraedrically coordinated and spherical water molecules in the liquid. In the Hooke-Calogero model of a confined triatomic of XY2-type it is shown that energetically low-lying zero orbital-momentum states, which are bent if unconfined can change to helium-like shape under increasing confinement strength f. For the respective states this occurs at different values for f. It turns out that at f = 2.79 a bent and a helium-like state can thermally coexist. In order to characterize more precisely 'helium-like' angular correlation a maximum entropy estimate for the marginal correlation of electrons in the helium ground state is given. KEY WORDS: Liquid water, molecular ...

  14. Observations of ice multiplication in a weakly convective cell embedded in supercooled mid-level stratus

    Directory of Open Access Journals (Sweden)

    J. Crosier

    2010-08-01

    °C level together with liquid water droplets and a few rimed ice particles, (3 Columns were larger and increasingly rimed at colder temperatures. Calculated ice splinter production rates are consistent with observed concentrations if the condition that only droplets greater than 24 μm are capable of generating secondary ice splinters is relaxed.

    This case demonstrates the importance of understanding the formation of ice at slightly supercooled temperatures, as it can lead to secondary ice production and the formation of precipitation in clouds which may not otherwise be considered as significant precipitation sources.

  15. Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium

    Science.gov (United States)

    Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K.

    2016-12-01

    We use molecular dynamics simulations to compare and contrast the liquid-state anomalies in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) over a fairly wide range of temperatures and densities. The relationships between structure, entropy, and mobility, as well as the extent of the regions of anomalous behavior, are discussed as a function of the degree of tetrahedrality. We map out the cascade of density, structural, pair entropy, excess entropy, viscosity, and diffusivity anomalies for these three liquids. Among the three liquids studied here, only mW displays anomalies in the thermal conductivity, and this anomaly is evident only at very low temperatures. Diffusivity and viscosity, on the other hand, show pronounced anomalous regions for the three liquids. The temperature of maximum density of the three liquids shows re-entrant behavior consistent with either singularity-free or liquid-liquid critical point scenarios proposed to explain thermodynamic anomalies. The order-map, which shows the evolution of translational versus tetrahedral order in liquids, is different for Ge than for Si and mW. We find that although the monatomic water reproduces several thermodynamic and dynamic properties of rigid-body water models (e.g., SPC/E, TIP4P/2005), its sequence of anomalies follows, the same as Si and Ge, the silica-like hierarchy: the region of dynamic (diffusivity and viscosity) anomalies encloses the region of structural anomalies, which in turn encloses the region of density anomaly. The hierarchy of the anomalies based on excess entropy and Rosenfeld scaling, on the other hand, reverses the order of the structural and dynamic anomalies, i.e., predicts that the three Stillinger-Weber liquids follow a water-like hierarchy of anomalies. We investigate the scaling of diffusivity, viscosity, and thermal conductivity with the excess entropy of the liquid and find that for dynamical properties that present anomalies there is no

  16. Modeling vapor liquid equilibrium of ionic liquids + gas binary systems at high pressure with cubic equations of state

    Directory of Open Access Journals (Sweden)

    A. C. D. Freitas

    2013-03-01

    Full Text Available Ionic liquids (IL have been described as novel environmentally benign solvents because of their remarkable characteristics. Numerous applications of these solvents continue to grow at an exponential rate. In this work, high pressure vapor liquid equilibria for 17 different IL + gas binary systems were modeled at different temperatures with Peng-Robinson (PR and Soave-Redlich-Kwong (SRK equations of state, combined with the van der Waals mixing rule with two binary interaction parameters (vdW-2. The experimental data were taken from the literature. The optimum binary interaction parameters were estimated by minimization of an objective function based on the average absolute relative deviation of liquid and vapor phases, using the modified Simplex algorithm. The solubilities of all gases studied in this work decrease as the temperature increases and increase with increasing pressure. The correlated results were highly satisfactory, with average absolute relative deviations of 2.10% and 2.25% for PR-vdW-2 and SRK-vdW-2, respectively.

  17. Child-Resistant Packaging for E-Liquid: A Review of US State Legislation.

    Science.gov (United States)

    Frey, Leslie T; Tilburg, William C

    2016-02-01

    A growing number of states have introduced or enacted legislation requiring child-resistant packaging for e-liquid containers; however, these laws involve varying terms, packaging standards, and enforcement provisions, raising concerns about their effectiveness. We evaluated bills against 4 benchmarks: broad product definitions that contemplate future developments in the market, citations to a specific packaging standard, stated penalties for violations, and express grants of authority to a state entity to enforce the packaging requirements. Our findings showed that 3 states meet all 4 benchmarks in their enacted legislation. We encourage states to consider these benchmarks when revising statutes or drafting future legislation.

  18. Electrochemical ion transfer across liquid/liquid interfaces confined within solid-state micropore arrays--simulations and experiments.

    Science.gov (United States)

    Strutwolf, Jörg; Scanlon, Micheál D; Arrigan, Damien W M

    2009-01-01

    Miniaturised liquid/liquid interfaces provide benefits for bioanalytical detection with electrochemical methods. In this work, microporous silicon membranes which can be used for interface miniaturisation were characterized by simulations and experiments. The microporous membranes possessed hexagonal arrays of pores with radii between 10 and 25 microm, a pore depth of 100 microm and pore centre-to-centre separations between 99 and 986 microm. Cyclic voltammetry was used to monitor ion transfer across arrays of micro-interfaces between two immiscible electrolyte solutions (microITIES) formed at these membranes, with the organic phase present as an organogel. The results were compared to computational simulations taking into account mass transport by diffusion and encompassing diffusion to recessed interfaces and overlapped diffusion zones. The simulation and experimental data were both consistent with the situation where the location of the liquid/liquid (l/l) interface was on the aqueous side of the silicon membrane and the pores were filled with the organic phase. While the current for the forward potential scan (transfer of the ion from the aqueous phase to the organic phase) was strongly dependent on the location of the l/l interface, the current peak during the reverse scan (transfer of the ion from the organic phase to the aqueous phase) was influenced by the ratio of the transferring ion's diffusion coefficients in both phases. The diffusion coefficient of the transferring ion in the gelified organic phase was ca. nine times smaller than in the aqueous phase. Asymmetric cyclic voltammogram shapes were caused by the combined effect of non-symmetrical diffusion (spherical and linear) and by the inequality of the diffusion coefficient in both phases. Overlapping diffusion zones were responsible for the observation of current peaks instead of steady-state currents during the forward scan. The characterisation of the diffusion behaviour is an important requirement

  19. Ionic Liquids Beyond Simple Solvents: Glimpses at the State of the Art in Organic Chemistry.

    Science.gov (United States)

    Kuchenbuch, Andrea; Giernoth, Ralf

    2015-12-01

    Within the last 25 years ionic liquids have written a tremendous success story, which is documented in a nearly uncountable amount of original research papers, reviews, and numerous applications in research and industry. These days, ionic liquids can be considered as a mature class of compounds for many different applications. Frequently, they are used as neoteric solvents for chemical tansformations, and the number of reviews on this field of research is huge. In this focused review, though, we are trying to evaluate the state of the art of ionic liquid chemistry beyond using them simply as solvents for chemical transformations. It is not meant to be a comprehensive overview on the topic; the choice of emphasis and examples rather refects the authors' personal view on the field. We are especially highlighting fields in which we believe the most fundamental developments within the next five years will take place: biomass processing, (chiral) ionic liquids from natural sources, biotransformations, and organic synthesis.

  20. Liquids and liquid mixtures

    CERN Document Server

    Rowlinson, J S; Baldwin, J E; Buckingham, A D; Danishefsky, S

    2013-01-01

    Liquids and Liquid Mixtures, Third Edition explores the equilibrium properties of liquids and liquid mixtures and relates them to the properties of the constituent molecules using the methods of statistical thermodynamics. Topics covered include the critical state, fluid mixtures at high pressures, and the statistical thermodynamics of fluids and mixtures. This book consists of eight chapters and begins with an overview of the liquid state and the thermodynamic properties of liquids and liquid mixtures, including vapor pressure and heat capacities. The discussion then turns to the thermodynami

  1. Water-Aromatic Liquid-Liquid-Vapour Equilibrium Calculation Using a Cubic Equation of State

    Institute of Scientific and Technical Information of China (English)

    1994-01-01

    This paper presents an extension of the procedure developed in the case of water-alkane binaries to mixtures of water and benzene or toluene or xylene or ethylbenzene or diethylbenzene.The method used to calculate the equilibria is based on the Peng-Robinson cubic equation of state modified as regards the coefficient α(Tr)and on the use of a binary interaction coefficient kiw specific to binaries containing water.

  2. Solubilities of gases in ionic liquids using a corresponding-states approach to Kirkwood-Buff solution theory

    DEFF Research Database (Denmark)

    Ellegaard, Martin Dela; Abildskov, Jens; O’Connell, John P.

    2011-01-01

    The solubilities of gases in ionic liquids and compressed liquid densities have been successfully described over a wide range of conditions using a reformulated corresponding-states formulation for direct correlation function integrals. In addition, comparisons with experimental data show reliable...... prediction of ionic liquid characteristic properties from simple rules....

  3. Mirror Symmetry Breaking by Chirality Synchronisation in Liquids and Liquid Crystals of Achiral Molecules.

    Science.gov (United States)

    Tschierske, Carsten; Ungar, Goran

    2016-01-04

    Spontaneous mirror symmetry breaking is an efficient way to obtain homogeneously chiral agents, pharmaceutical ingredients and materials. It is also in the focus of the discussion around the emergence of uniform chirality in biological systems. Tremendous progress has been made by symmetry breaking during crystallisation from supercooled melts or supersaturates solutions and by self-assembly on solid surfaces and in other highly ordered structures. However, recent observations of spontaneous mirror symmetry breaking in liquids and liquid crystals indicate that it is not limited to the well-ordered solid state. Herein, progress in the understanding of a new dynamic mode of symmetry breaking, based on chirality synchronisation of transiently chiral molecules in isotropic liquids and in bicontinuous cubic, columnar, smectic and nematic liquid crystalline phases is discussed. This process leads to spontaneous deracemisation in the liquid state under thermodynamic control, giving rise to long-term stable symmetry-broken fluids, even at high temperatures. These fluids form conglomerates that are capable of extraordinary strong chirality amplification, eventually leading to homochirality and providing a new view on the discussion of emergence of uniform chirality in prebiotic systems.

  4. Thermal expansion accompanying the glass-liquid transition and crystallization

    Directory of Open Access Journals (Sweden)

    M. Q. Jiang

    2015-12-01

    Full Text Available We report the linear thermal expansion behaviors of a Zr-based (Vitreloy 1 bulk metallic glass in its as-cast, annealed and crystallized states. Accompanying the glass-liquid transition, the as-cast Vitreloy 1 shows a continuous decrease in the thermal expansivity, whereas the annealed glass shows a sudden increase. The crystallized Vitreloy 1 exhibits an almost unchanged thermal expansivity prior to its melting. Furthermore, it is demonstrated that the nucleation of crystalline phases can induce a significant thermal shrinkage of the supercooled liquid, but with the growth of these nuclei, the thermal expansion again dominates. These results are explained in the framework of the potential energy landscape, advocating that the configurational and vibrational contributions to the thermal expansion of the glass depend on both, structure and temperature.

  5. Equation of state in the generalized density scaling regime studied from ambient to ultra-high pressure conditions

    Science.gov (United States)

    Grzybowski, A.; Koperwas, K.; Paluch, M.

    2014-01-01

    In this paper, based on the effective intermolecular potential with well separated density and configuration contributions and the definition of the isothermal bulk modulus, we derive two similar equations of state dedicated to describe volumetric data of supercooled liquids studied in the extremely wide pressure range related to the density range, which is extremely wide in comparison with the experimental range reached so far in pressure-volume-temperature measurements of glass-forming liquids. Both the equations comply with the generalized density scaling law of molecular dynamics versus h(ρ)/T at different densities ρ and temperatures T, where the scaling exponent can be in general only a density function γ(ρ) = d ln h/d ln ρ as recently argued by the theory of isomorphs. We successfully verify these equations of state by using data obtained from molecular dynamics simulations of the Kob-Andersen binary Lennard-Jones liquid. As a very important result, we find that the one-parameter density function h(ρ) analytically formulated in the case of this prototypical model of supercooled liquid, which implies the one-parameter density function γ(ρ), is able to scale the structural relaxation times with the value of this function parameter determined by fitting the volumetric simulation data to the equations of state. We also show that these equations of state properly describe the pressure dependences of the isothermal bulk modulus and the configurational isothermal bulk modulus in the extremely wide pressure range investigated by the computer simulations. Moreover, we discuss the possible forms of the density functions h(ρ) and γ(ρ) for real glass formers, which are suggested to be different from those valid for the model of supercooled liquid based on the Lennard-Jones intermolecular potential.

  6. Controlling the volatility of the written optical state in electrochromic DNA liquid crystals

    NARCIS (Netherlands)

    Liu, Kai; Varghese, Justin; Gerasimov, Jennifer Y.; Polyakov, Alexey O.; Shuai, Min; Su, Juanjuan; Chen, Dong; Zajaczkowski, Wojciech; Marcozzi, Alessio; Pisula, Wojciech; Noheda, Beatriz; Palstra, Thomas T. M.; Clark, Noel A.; Herrmann, Andreas

    Liquid crystals are widely used in displays for portable electronic information display. To broaden their scope for other applications like smart windows and tags, new material properties such as polarizer-free operation and tunable memory of a written state become important. Here, we describe an

  7. Rendering high charge density of states in ionic liquid-gated MoS 2 transistors

    NARCIS (Netherlands)

    Lee, Y.; Lee, J.; Kim, S.; Park, H.S.

    2014-01-01

    We investigated high charge density of states (DOS) in the bandgap of MoS2 nanosheets with variable temperature measurements on ionic liquid-gated MoS2 transistors. The thermally activated charge transport indicates that the electrical current in the two-dimensional MoS 2 nanosheets under high charg

  8. Multiple chiral topological states in liquid crystals from unstructured light beams

    Energy Technology Data Exchange (ETDEWEB)

    Loussert, Charles; Brasselet, Etienne, E-mail: e.brasselet@loma.u-bordeaux1.fr [Laboratoire Ondes et Matière d' Aquitaine, Univ. Bordeaux, CNRS, UMR 5798, F-33400 Talence (France)

    2014-02-03

    It is shown experimentally that unstructured light beams can generate a wealth of distinct metastable defect structures in thin films of chiral liquid crystals. Various kinds of individual chiral topological states are obtained as well as dimers and trimers, which correspond to the entanglement of several topological unit cells. Self-assembled nested assemblies of several metastable particle-like topological states can also be formed. Finally, we propose and experimentally demonstrate an opto-electrical approach to generate tailor-made architectures.

  9. The novel metallic states of the cuprates: topological Fermi liquids and strange metals

    CERN Document Server

    Sachdev, Subir

    2016-01-01

    This article is based on a talk by S.S. at the Nambu Memorial Symposium at the University of Chicago. We review ideas on the nature of the metallic states of the hole-doped cuprate high temperature superconductors, with an emphasis on the connections between the Luttinger theorem for the size of the Fermi surface, topological quantum field theories (TQFTs), and critical theories involving changes in the size of the Fermi surface. We begin with the derivation of the Luttinger theorem for a Fermi liquid, using momentum balance during a process of flux-insertion in a lattice electronic model with toroidal boundary conditions. We then review the TQFT of the Z2 spin liquid, and demonstrate its compatibility with the toroidal momentum balance argument. This discussion leads naturally to a simple construction of `topological' Fermi liquid states: the fractionalized Fermi liquid (FL*) and the algebraic charge liquid (ACL). We present arguments for a description of the pseudogap metal of the cuprates using Z2-FL* or Z...

  10. NMR evidence of a sharp change in a measure of local order in deeply supercooled confined water.

    Science.gov (United States)

    Mallamace, F; Corsaro, C; Broccio, M; Branca, C; González-Segredo, N; Spooren, J; Chen, S-H; Stanley, H E

    2008-09-02

    Using NMR, we measure the proton chemical shift delta, of supercooled nanoconfined water in the temperature range 195 K < T < 350 K. Because delta is directly connected to the magnetic shielding tensor, we discuss the data in terms of the local hydrogen bond geometry and order. We argue that the derivative -( partial differential ln delta/ partial differentialT)(P) should behave roughly as the constant pressure specific heat C(P)(T), and we confirm this argument by detailed comparisons with literature values of C(P)(T) in the range 290-370 K. We find that -( partial differential ln delta/ partial differentialT)(P) displays a pronounced maximum upon crossing the locus of maximum correlation length at approximately 240 K, consistent with the liquid-liquid critical point hypothesis for water, which predicts that C(P)(T) displays a maximum on crossing the Widom line.

  11. Solid state and sub-cooled liquid vapour pressures of cyclic aliphatic dicarboxylic acids

    Directory of Open Access Journals (Sweden)

    A. M. Booth

    2010-10-01

    Full Text Available Knudsen Effusion Mass Spectrometry (KEMS has been used to measure for the first time the solid state vapour pressures of a series of aliphatic cyclic dicarboxylic acids with increasing ring size. Additionally the atmospherically important compounds; cis-pinonic acid and levoglucosan were also measured. Differential Scanning Calorimetry (DSC was used to measure melting points, enthalpies and entropies of fusion, which were used to determine sub-cooled liquid vapour pressures for the compounds. The sub-cooled liquid vapour pressure of straight chain, branched and cyclic dicarboxylic acids was compared to a selection of estimation methods.

  12. Modeling p VT Properties and Vapor-Liquid Equilibrium of Ionic Liquids Using Cubic-plus-association Equation of State

    Institute of Scientific and Technical Information of China (English)

    马俊; 李进龙; 范冬福; 彭昌军; 刘洪来; 胡英

    2011-01-01

    Combining Peng-Robinson (PR) equation of state (EoS) with an association model derived from shield-sticky method (SSM) by Liu et al., a new cubic-plus-association (CPA) EoS is proposed to describe the ther-modynamic properties of pure ionic liquids (ILs) and their mixtures. The new molecular parameters for 25 ILs are obtained by fitting the experimental density data over a wide temperature and pressure range, and the overall aver-age deviation is 0.22%. The model parameter b for homologous ILs shows a good linear relationship with their mo-lecular mass, so the number of model parameters is reduced effectively. Using one temperature-independent binary adjustable parameter kij, satisfactory correlations of vapor-liquid equilibria (VLE) for binary mixtures of ILs + non-associating solvents and + associating solvents are obtained with the overall average deviation of vapor pressure 2.91% and 7.01%, respectively. In addition, VLE results for ILs + non-associating mixtures from CPA, lattice-fluid (LF) and square-well chain fluids with variable range (SWCF-VR) EoSs are compared.

  13. Irreversible Magnetization Deep in the Vortex-Liquid State of a 2D Superconductor at High Magnetic Fields

    OpenAIRE

    Maniv, T.; Zhuravlev, V.; Wosnitza, J.; Hagel, J.

    2004-01-01

    The remarkable phenomenon of weak magnetization hysteresis loops, observed recently deep in the vortex-liquid state of a nearly two-dimensional (2D) superconductor at low temperatures, is shown to reflect the existence of an unusual vortex-liquid state, consisting of collectively pinned crystallites of easily sliding vortex chains.

  14. Measurements of liquid and glass structures using in-situ high energy x-ray and neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Richard [Argonne National Laboratory (ANL); Benmore, C. J. [Argonne National Laboratory (ANL); Skinner, Lawrie [Stony Brook University (SUNY); Neuefeind, Joerg C [ORNL; Tumber, Sonia [Materials Development, Inc., Evanston, IL; Jennings, G [Argonne National Laboratory (ANL); Santodonato, Louis J [ORNL; Jin, D [Materials Development, Inc., Evanston, IL; Du, Jincheng [University of North Texas; Parise, John B [Stony Brook University (SUNY)

    2013-01-01

    Investigation of high temperature molten materials and their evolution to the amorphous state is often hampered by unwanted reactions with container surfaces. This work used aerodynamic levitation in combination with laser beam heating to study high melting point materials that can form supercooled liquids or glasses. Details of the instruments that are being used at the Advanced Photon Source and the Spallation Neutron Source to study molten oxides with high energy x-ray scattering and neutron diffraction with isotope substitution are presented. Examples of measurements are used to illustrate the use of the instruments. Plans for further development and application of the capabilities are presented.

  15. Formation of monatomic metallic glasses through ultrafast liquid quenching.

    Science.gov (United States)

    Zhong, Li; Wang, Jiangwei; Sheng, Hongwei; Zhang, Ze; Mao, Scott X

    2014-08-14

    It has long been conjectured that any metallic liquid can be vitrified into a glassy state provided that the cooling rate is sufficiently high. Experimentally, however, vitrification of single-element metallic liquids is notoriously difficult. True laboratory demonstration of the formation of monatomic metallic glass has been lacking. Here we report an experimental approach to the vitrification of monatomic metallic liquids by achieving an unprecedentedly high liquid-quenching rate of 10(14) K s(-1). Under such a high cooling rate, melts of pure refractory body-centred cubic (bcc) metals, such as liquid tantalum and vanadium, are successfully vitrified to form metallic glasses suitable for property interrogations. Combining in situ transmission electron microscopy observation and atoms-to-continuum modelling, we investigated the formation condition and thermal stability of the monatomic metallic glasses as obtained. The availability of monatomic metallic glasses, being the simplest glass formers, offers unique possibilities for studying the structure and property relationships of glasses. Our technique also shows great control over the reversible vitrification-crystallization processes, suggesting its potential in micro-electromechanical applications. The ultrahigh cooling rate, approaching the highest liquid-quenching rate attainable in the experiment, makes it possible to explore the fast kinetics and structural behaviour of supercooled metallic liquids within the nanosecond to picosecond regimes.

  16. Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet.

    Science.gov (United States)

    Fu, Mingxuan; Imai, Takashi; Han, Tian-Heng; Lee, Young S

    2015-11-06

    The kagome Heisenberg antiferromagnet is a leading candidate in the search for a spin system with a quantum spin-liquid ground state. The nature of its ground state remains a matter of active debate. We conducted oxygen-17 single-crystal nuclear magnetic resonance (NMR) measurements of the spin-1/2 kagome lattice in herbertsmithite [ZnCu3(OH)6Cl2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χ(kagome), deduced from the oxygen-17 NMR frequency shift, asymptotes to zero below temperatures of 0.03J, where J ~ 200 kelvin is the copper-copper superexchange interaction. Combined with the magnetic field dependence of χ(kagome) that we observed at low temperatures, these results imply that the kagome Heisenberg antiferromagnet has a spin-liquid ground state with a finite gap.

  17. State-space analysis of the dynamic characteristics of a variable thrust liquid propellant rocket engine

    Science.gov (United States)

    Zhang, Yu-Lin

    This paper states the application of state-space method to the analysis of the dynamic characteristics of a variable thrust liquid propellant rocket engine and presents a set of state equations for describing the dynamic process of the engine. An efficient numerical method for solving these system equations is developed. The theoretical solutions agree well with the experimental data. The analysis leads to the following conclusion: the set coefficient of the pulse width, the working frequency of the solenoid valves and the deviation of the critical working points of these valves are important parameters for determining the dynamic response time and the control precision of this engine. The methods developed in this paper may be used effectively in the analysis of dynamic characteristics of variable thrust liquid propellant rocket engines.

  18. NATO Advanced Study Institute International Advanced Course on The Liquid State and Its Electrical Properties

    CERN Document Server

    Christophorou, L; Luessen, L

    1988-01-01

    As the various disciplines of science advance, they proliferate and tend to become more esoteric. Barriers of specialized terminologies form, which cause scientists to lose contact with their colleagues, and differences in points-of-view emerge which hinder the unification of knowledge among the various disciplines, and even within a given discipline. As a result, the scientist, and especially the student, is in many instances offered fragmented glimpses of subjects that are funda­ mentally synthetic and that should be treated in their own right. Such seems to be the case of the liquid state. Unlike the other states of matter -- gases, solids, and plasmas -- the liquid state has not yet received unified treatment, probably because it has been the least explored and remains the least understood state of matter. Occasionally, events occur which help remove some of the barriers that separate scientists and disciplines alike. Such an event was the ASI on The Liquid State held this past July at the lovely Hotel T...

  19. Long term thermal energy storage with stable supercooled sodium acetate trihydrate

    DEFF Research Database (Denmark)

    Dannemand, Mark; Schultz, Jørgen M.; Johansen, Jakob Berg

    2015-01-01

    it expands and will cause a pressure built up in a closed chamber which might compromise stability of the supercooling. This can be avoided by having an air volume above the phase change material connected to an external pressure less expansion tank. Supercooled sodium acetate trihydrate at 20 °C stores up...

  20. Supercooling of rapidly expanding quark-gluon plasma

    CERN Document Server

    Zabrodin, E E; Csernai, László P; Stöcker, H; Greiner, W

    1998-01-01

    We reexamine the scenario of homogeneous nucleation of the quark-gluon plasma produced in ultra-relativistic heavy ion collisions. A generalization of the standard nucleation theory to rapidly expanding system is proposed. The nucleation rate is derived via the new scaling parameter $\\lambda_Z$. It is shown that the size distribution of hadronic clusters plays an important role in the dynamics of the phase transition. The longitudinally expanding system is supercooled to about 3-6%, then it is reheated, and the hadronization is completed within 6-10 fm/c, i.e. 5-10 times faster than it was estimated earlier, in a strongly nonequilibrium way.

  1. The freezing and supercooling of garlic (Allium sativum L.)

    Energy Technology Data Exchange (ETDEWEB)

    James, Christian; Seignemartin, Violaine; James, Stephen J. [Food Refrigeration and Process Engineering Research Centre (FRPERC), University of Bristol, Churchill Building, Langford, Bristol BS40 5DU (United Kingdom)

    2009-03-15

    This work shows that peeled garlic cloves demonstrate significant supercooling during freezing under standard conditions and can be stored at temperatures well below their freezing point (-2.7 C) without freezing. The nucleation point or 'metastable limit temperature' (the point at which ice crystal nucleation is initiated) of peeled garlic cloves was found to be between -7.7 and -14.6 C. Peeled garlic cloves were stored under static air conditions at temperatures between -6 and -9 C for up to 69 h without freezing, and unpeeled whole garlic bulbs and cloves were stored for 1 week at -6 C without freezing. (author)

  2. Successful vitrification of mouse ovaries using less-concentrated cryoprotectants with Supercool X-1000 supplementation.

    Science.gov (United States)

    Tan, Xiuwen; Song, Enliang; Liu, Xiaomu; Liu, Guifen; Cheng, Haijian; Wan, Fachun

    2012-02-01

    The purpose of our study was to investigate the feasibility of using less-concentrated cryoprotectants supplemented with ice blocker Supercool X-1000 to vitrify ovarian tissues. Mouse ovaries were cryopreserved in different concentrations of vitrification solution alone or with Supercool X-1000, and fresh non-frozen ovaries were used as control. The proportions of morphological normality of follicles, normal GCs in follicular fluids and developing to blastocysts were higher in 12.5% ethylene glycol (EG) + 12.5% dimethylsulfoxide (DMSO) with Supercool X-1000 than those of treated in 10% EG + 10% DMSO or 15% EG + 15% DMSO alone or with Supercool X-1000. In conclusion, the inclusion of Supercool X-1000 in less-concentrated vitrification solution was effective to improve the efficiency and efficacy of cryopreservation of ovarian tissues.

  3. Excited-state proton transfer of fluorescein anion as an ionic liquid component.

    Science.gov (United States)

    Rodrigues, Catarina A B; Graça, Cátia; Maçôas, Ermelinda; Fedorov, Alexander; Afonso, Carlos A M; Martinho, José M G

    2013-11-14

    Fluorescent ionic liquids (FILs) incorporating the fluorescein anion have been prepared by anion exchange of the parent quaternary ammonium chloride (Quat(+)Cl(-)) ionic liquid. By controlling the molar ratio of fluorescein to Quat(+)Cl(-), ionic liquids incorporating different prototropic forms of fluorescein were prepared. The 1:1 molar ratio ionic liquid (FIL1) is essentially composed of monoanionic fluorescein, while dianionic fluorecein is predominant in the FIL with a 1:2 molar ratio (FIL2). The fluorescence excitation spectrum of FIL2 is markedly different from its absorption spectrum. Absorption features the fluorescein dianion, while the excitation spectrum is exclusively due to the monoanion. In FIL1, the absorption and excitation spectra are both characteristic of the monoanion. In both FILs, emission of the dianion is observed upon excitation of the monoanion. This unusual behavior is interpreted in the context of a fast deprotonation of the monoanion in the excited state. The presence of residual water in the ionic liquid is important for the proton transfer process. By lowering the pH of FIL1, the transient proton transfer is inhibited, and the emission of the monoanion could be observed. The FILs have completely different spectroscopic properties from solvated fluorescein in Quat(+)Cl(-), where the prototropic equilibrium is shifted toward the neutral forms.

  4. Methane emissions from process equipment at natural gas production sites in the United States: liquid unloadings.

    Science.gov (United States)

    Allen, David T; Sullivan, David W; Zavala-Araiza, Daniel; Pacsi, Adam P; Harrison, Matthew; Keen, Kindal; Fraser, Matthew P; Daniel Hill, A; Lamb, Brian K; Sawyer, Robert F; Seinfeld, John H

    2015-01-01

    Methane emissions from liquid unloadings were measured at 107 wells in natural gas production regions throughout the United States. Liquid unloadings clear wells of accumulated liquids to increase production, employing a variety of liquid lifting mechanisms. In this work, wells with and without plunger lifts were sampled. Most wells without plunger lifts unload less than 10 times per year with emissions averaging 21,000-35,000 scf methane (0.4-0.7 Mg) per event (95% confidence limits of 10,000-50,000 scf/event). For wells with plunger lifts, emissions averaged 1000-10,000 scf methane (0.02-0.2 Mg) per event (95% confidence limits of 500-12,000 scf/event). Some wells with plunger lifts are automatically triggered and unload thousands of times per year and these wells account for the majority of the emissions from all wells with liquid unloadings. If the data collected in this work are assumed to be representative of national populations, the data suggest that the central estimate of emissions from unloadings (270 Gg/yr, 95% confidence range of 190-400 Gg) are within a few percent of the emissions estimated in the EPA 2012 Greenhouse Gas National Emission Inventory (released in 2014), with emissions dominated by wells with high frequencies of unloadings.

  5. Emergence of nontrivial magnetic excitations in a spin-liquid state of kagomé volborthite

    Science.gov (United States)

    Watanabe, Daiki; Sugii, Kaori; Shimozawa, Masaaki; Suzuki, Yoshitaka; Yajima, Takeshi; Ishikawa, Hajime; Hiroi, Zenji; Shibauchi, Takasada; Matsuda, Yuji; Yamashita, Minoru

    2016-08-01

    When quantum fluctuations destroy underlying long-range ordered states, novel quantum states emerge. Spin-liquid (SL) states of frustrated quantum antiferromagnets, in which highly correlated spins fluctuate down to very low temperatures, are prominent examples of such quantum states. SL states often exhibit exotic physical properties, but the precise nature of the elementary excitations behind such phenomena remains entirely elusive. Here, we use thermal Hall measurements that can capture the unexplored property of the elementary excitations in SL states, and report the observation of anomalous excitations that may unveil the unique features of the SL state. Our principal finding is a negative thermal Hall conductivity κxyκxy which the charge-neutral spin excitations in a gapless SL state of the 2D kagomé insulator volborthite Cu3V2O7(OH)2ṡṡ2H2O exhibit, in much the same way in which charged electrons show the conventional electric Hall effect. We find that κxyκxy is absent in the high-temperature paramagnetic state and develops upon entering the SL state in accordance with the growth of the short-range spin correlations, demonstrating that κxyκxy is a key signature of the elementary excitation formed in the SL state. These results suggest the emergence of nontrivial elementary excitations in the gapless SL state which feel the presence of fictitious magnetic flux, whose effective Lorentz force is found to be less than 1/100 of the force experienced by free electrons.

  6. Chemical Reactivity and Liquid/Nonliquid States of Secondary Organic Material.

    Science.gov (United States)

    Li, Yong Jie; Liu, Pengfei; Gong, Zhaoheng; Wang, Yan; Bateman, Adam P; Bergoend, Clara; Bertram, Allan K; Martin, Scot T

    2015-11-17

    The reactivity of secondary organic material (SOM) of variable viscosity, ranging from nonliquid to liquid physical states, was studied. The SOM, produced in aerosol form from terpenoid and aromatic precursor species, was reacted with ammonia at variable relative humidity (RH). The ammonium-to-organic mass ratio (MNH4+/MOrg) increased monotonically from reactivity limited by diffusion at low RH to one limited by other factors at higher RH. For the studied size distributions and reaction times, the transition corresponded to a diffusivity above 10-17.5 ± 0.5 m2 s-1. The threshold RH values for the transition were 90% for β-caryophyllene-derived SOM. The transition RH for reactivity differed in all cases from the transition RH of a nonliquid to a liquid state. For instance, for α-pinene-derived SOM the transition for chemical reactivity of 35-45% RH can be compared to the nonliquid to liquid transition of 65-90% RH. These differences imply that chemical transport models of atmospheric chemistry should not use the SOM liquid to nonliquid phase transition as one-to-one surrogates of SOM reactivity.

  7. Dynamical properties of confined supercooled water: an NMR study

    Science.gov (United States)

    Mallamace, Francesco; Broccio, Matteo; Corsaro, Carmelo; Faraone, Antonio; Liu, Li; Mou, Chung-Yuan; Chen, Sow-Hsin

    2006-09-01

    We report a set of dynamical data of confined water measured in a very deeply supercooled regime (290-190 K). Water is contained in silica matrices (MCM-41-S) which consist of 1D cylindrical pores with diameters d = 14,18 and 24 Å. When confined in these tubular pores, water does not crystallize, and can be supercooled well below 200 K. We use the NMR technique to obtain the characteristic proton relaxation time-constants (the spin-lattice relaxation time-constant T1 and the spin-spin relaxation time-constant T2) and a direct measurement of the self-diffusion coefficient in the whole temperature range. We give evidence of the existence of a fragile-to-strong dynamic crossover (FSC) at TL = 225 K from the temperature dependence of the self-diffusion coefficient. A combination of the NMR self-diffusion coefficient with the average translational relaxation time, as measured by quasi-elastic neutron scattering, shows a well defined decoupling of transport coefficients, i.e. the breakdown of the Stokes-Einstein relation, on approaching the crossover temperature TL.

  8. Dynamical properties of confined supercooled water: an NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Mallamace, Francesco [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Broccio, Matteo [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Corsaro, Carmelo [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Faraone, Antonio [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Liu Li [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Mou, C-Y [Department of Chemistry, National Taiwan University, Taipei, Taiwan (China); Chen, S-H [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2006-09-13

    We report a set of dynamical data of confined water measured in a very deeply supercooled regime (290-190 K). Water is contained in silica matrices (MCM-41-S) which consist of 1D cylindrical pores with diameters d = 14,18 and 24 A. When confined in these tubular pores, water does not crystallize, and can be supercooled well below 200 K. We use the NMR technique to obtain the characteristic proton relaxation time-constants (the spin-lattice relaxation time-constant T1 and the spin-spin relaxation time-constant T2) and a direct measurement of the self-diffusion coefficient in the whole temperature range. We give evidence of the existence of a fragile-to-strong dynamic crossover (FSC) at T{sub L} = 225 K from the temperature dependence of the self-diffusion coefficient. A combination of the NMR self-diffusion coefficient with the average translational relaxation time, as measured by quasi-elastic neutron scattering, shows a well defined decoupling of transport coefficients, i.e. the breakdown of the Stokes-Einstein relation, on approaching the crossover temperature T{sub L}.

  9. EPR Study of Cr5+ and Cu2+ in Some Zeolites Introduced by Solid- and Liquid-State Reactions

    Science.gov (United States)

    Köksal, Fevzi; Ucun, Fatih; Kartal, İbrahim

    1996-04-01

    This study reports on the EPR of Cr5+ and Cu2+ ions, introduced by solid- and liquid-state reactions with the synthetic zeolites 3A, 4A and 5A, and the natural zeolite clinoptilolite. Cr3+ was oxidized to Cr5+ in the samples, the coordination around Cr5+ being square pyramidal. Super-hyperfine (shf) interaction of Cr5+ with 27Al nucleus was observed in both solid-and liquid-state-introduced 5A zeolite, whereas this shf could not be observed for the solid-state introduced 4A zeolite. The liquid-state Cr-introduced 4A zeolite needed a heat treatment at 473 K for ½ h for the appearance of shfs. Furthermore, it has been found that the coordination structure around the Cu2+ is square pyramidal in solid-state introduced samples, whereas it is octahedral in the liquid-state introduced ones.

  10. Numerical formulation of composition segregation at curved solid-liquid interface during steady state solidification process

    Science.gov (United States)

    Wang, Jai-Ching

    1994-01-01

    The lateral solute segregation that results from a curved solid-liquid interface shape during steady state unidirectional solidification of a binary alloy system has been studied both analytically and numerically by Coriell, Bosivert, Rehm, and Sekerka. The system under their study is a two dimensional rectangular system. However, most real growth systems are cylindrical systems. Thus, in a previous study, we have followed Coriell etc. formalism and obtained analytical results for lateral solute segregation for an azimuthal symmetric cylindrical binary melt system during steady state solidification process. The solid-liquid interface shape is expressed as a series combination of Bessel functions. In this study a computer program has been developed to simulate the lateral solute segregation.

  11. Adaptive compensation of a direct liquid-cooled solid-state MOPA system

    Science.gov (United States)

    Dong, Lizhi; Chen, Shanqiu; Chen, Xiaojun; Liu, Wenjin; Hu, Ke; Lai, Boheng; Yang, Ping; Wang, Shuai; He, Xing; Xu, Bing; Liu, Le; Liu, Yang; Wang, Zhe; Wang, Gang

    2016-09-01

    Direct liquid-cooling is a promising way of power scaling and heat management for solid-state lasers. A side-pumped direct liquid-cooled solid-state pulsed zigzag MOPA system is established based on this advanced concept. However, its beam quality is degraded by the thermal distortions in the non-zigzag direction and the flowing coolant. We develop an adaptive optics system to improve its beam quality, which primarily includes a low-order aberration compensator and a 59-actuator deformable mirror. The beam is first corrected by the low-order aberration compensator to remove large defocus and astigmatism, and its size is reshaped simultaneously to fulfill the demands of applications. Then the beam is further corrected by the deformable mirror. With collaborative operation of the low-order aberration compensator and the deformable mirror, we have achieved average beam quality of β=2.8.

  12. Deconfinement and quantum liquid crystalline states of dipolar fermions in optical lattices

    OpenAIRE

    2009-01-01

    We describe a simple model of fermions in quasi-one dimension that features interaction induced deconfinement (a phase transition where the effective dimensionality of the system increases as interactions are turned on) and which can be realised using dipolar fermions in an optical lattice. The model provides a relisation of a "soft quantum matter" phase diagram of strongly-correlated fermions, featuring meta-nematic, smectic and crystalline states, in addition to the normal Fermi liquid. In ...

  13. Ground-state energy of the electron liquid in ultrathin wires.

    Science.gov (United States)

    Fogler, Michael M

    2005-02-11

    The ground-state energy and the density correlation function of the electron liquid in a thin one-dimensional wire are computed. The calculation is based on an approximate mapping of the problem with a realistic Coulomb interaction law onto exactly solvable models of mathematical physics. This approach becomes asymptotically exact in the limit of a small wire radius but remains numerically accurate even for modestly thin wires.

  14. Supercooling of aqueous dimethylsulfoxide solution at normal and high pressures: Evidence for the coexistence of phase-separated aqueous dimethylsulfoxide solutions of different water structures.

    Science.gov (United States)

    Kanno, H; Kajiwara, K; Miyata, K

    2010-05-21

    Supercooling behavior of aqueous dimethylsulfoxide (DMSO) solution was investigated as a function of DMSO concentration and at high pressures. A linear relationship was observed for T(H) (homogeneous ice nucleation temperature) and T(m) (melting temperature) for the supercooling of aqueous DMSO solution at normal pressure. Analysis of the DTA (differential thermal analysis) traces for homogeneous ice crystallization in the bottom region of the T(H) curve for a DMSO solution of R=20 (R: moles of water/moles of DMSO) at high pressures supported the contention that the second critical point (SCP) of liquid water should exist at P(c2)= approximately 200 MPa and at T(c2)temperature of SCP). The presence of two T(H) peaks for DMSO solutions (R=15, 12, and 10) suggests that phase separation occurs in aqueous DMSO solution (Rtemperatures (different liquid water structures [LDL-like and HDL-like structures (LDL: low-density liquid water, HDL: high-density liquid water)] in the pressure range of 120-230 MPa.

  15. Complex plasmas and colloidal dispersions particle-resolved studies of classical liquids and solids

    CERN Document Server

    Ivlev, Alexei; Morfill, Gregor; Royall, C. Patrick

    2012-01-01

    Complex plasmas and colloidal dispersions represent different states of soft matter. They are complementary in many ways, with the most important being that complex plasmas are virtually undamped at the particle timescales, whereas colloidal dispersions are overdamped and therefore can be brought into equilibrium in a very controlled manner. Otherwise, both fields have similar advantages: fully resolved 3D particle trajectories can easily be visualized, the pair interactions are tunable, and particles can be manipulated individually or collectively. These unique properties allow us to investigate generic processes occurring in liquids or solids at the most fundamental individual particle level. The principal research topics to be addressed in the book include: particle dynamics in liquids, with the emphasis on mesoscopic processes in the supercooled (glassy) state, e.g. dynamical heterogeneity, phase transitions in solids, with particular attention to the evolutionary paths of crystal structure development an...

  16. Structural properties of Y2O3–Al2O3 liquids and glasses: An overview

    Energy Technology Data Exchange (ETDEWEB)

    Wilding, Martin C.; Wilson, Mark; McMillan, Paul F.; Benmore, Chris J.; Weber, J. K.R.; Deschamps, Thierry; Champagnon, Bernard

    2015-01-01

    Liquids in the system Y2O3- Al2O3 have been the subject of considerable study because of the reported occurrence of a first-order density and entropy-driven liquid-liquid phase transition (LLPT) in the supercooled liquid state. The observations have become controversial because of the presence of crystalline material that can be formed simultaneously and that can mask the nucleation and growth of the lower density liquid. The previous work is summarized here along with arguments for and against the different viewpoints. Also two studies have been undertaken to investigate the LLPT in this refractory system with emphasis on determining the structure of unequivocally amorphous materials. These include the in situ high energy X-ray diffraction (HEXRD) of supercooled Y2O3 - Al2O3 liquids and the low frequency vibrational dynamics of recovered glasses. Manybody molecular dynamics simulations are also used to interpret the results of both studies. The HEXRD measurements, combined with aerodynamic levitation and rapid data acquisition techniques, show that for the 20 mol% Y2O3 (i.e. AlY20) liquid there is a shift in the position of the first peak in the diffraction pattern over a narrow temperature range (2100-1800 K) prior to crystallization. Microbeam Raman spectroscopy measurements made on AlY20 glasses clearly show contrasting spectra in the low frequency part of the spectrum for low(LDA) and high-density (HDA) glassy regions. The molecular dynamics simulations identify contrasting coordination environments around oxygen anions for the high- (HDL) and low-density (LDL) liquids. (C) 2014 Elsevier B.V. All rights reserved.

  17. Anisotropic Quantum Hall Liquid States with No Translational Invariance in the Lowest Landau Level

    Science.gov (United States)

    Ciftja, Orion

    2016-05-01

    Strongly correlated two-dimensional electron systems in a high perpendicular magnetic field have displayed remarkable new physics leading to the discovery of phenomena such as the integer and the fractional quantum Hall effect, to mention a few. Laughlin's theoretical model and the composite fermion's (CFs) approach provide a good description of the liquid electronic phases in the lowest Landau level (LLL) at relatively large filling factors. Other electronic phases at smaller filling factors of the LLL likely represent electronic Wigner solid states. It is believed that no other phases with intermediate order stabilize at the liquid-solid transition region. The current study deals with filling factor 1/6 in the LLL, a state which is very close to the critical filling factor where the liquid-solid transition takes place. With the assumption that the underlying signs of crystalline order are starting to appear at this transitional regime, we focus our attention and study the properties of a hybrid electronic phase that lacks translational invariance. To describe such a state, we consider a wave function that lies entirely in the LLL but, unlike a typical quantum Hall liquid phase, does not possess translational invariance. Although inspired by Laughlin's approach, the wave function we introduce differs from Laughlin's or CFs wave functions that describe translationally invariant uniform electronic phases. We perform quantum Monte Carlo simulations in a standard disk geometry to gain a better understanding of the properties of this wave function that may be considered as a precursor to the more conventional Wigner crystal phase.

  18. Equation of state of initially liquid carbon monoxide and nitrogen mixture

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The modified liquid perturbation variational theory and the improved vdW-1f model were applied to calculating the equation of the state of liquid CO-N2 mixture with the ratio of 1:1, 4:1 and 1:4, respectively, in the shock pressure range of 9-49 GPa. It was shown that the calculated result for CO-N2 mixture with the ratio of 1:1 is well consistent with the earlier experimental data. The thermodynamics equilibrium, chemical equilibrium and phase equilibrium were all considered in detail. It was found that Hugoniot of liquid CO-N2 mixture is moderately softened in the pressure range of 20-30 GPa and 30-49 GPa for different initial proportions, and that the Hugoniot is more softened in the latter pressure range, which means that the structural phase transition occurs near 20 GPa and 30 GPa. Since the shock pro-ductions may absorb a plenty of systematic energy, the shock temperature and pressure decline compared with the case of no chemical reaction. Pressures and temperatures increase gradually with the increase in the mole fraction of nitrogen composition. The results for the 1:1 CO-N2 mixture lie in the middle of two others. Therefore, it was shown that the modified Lorentz-Berthelor rule used in the scheme is effective to study shock-compression properties of liquid CO-N2 mixture under high temperatures and high pressures.

  19. A Study of Quantum Error Correction by Geometric Algebra and Liquid-State NMR Spectroscopy

    CERN Document Server

    Sharf, Y; Somaroo, S S; Havel, T F; Knill, E H; Laflamme, R; Sharf, Yehuda; Cory, David G.; Somaroo, Shyamal S.; Havel, Timothy F.; Knill, Emanuel; Laflamme, Raymond

    2000-01-01

    Quantum error correcting codes enable the information contained in a quantum state to be protected from decoherence due to external perturbations. Applied to NMR, quantum coding does not alter normal relaxation, but rather converts the state of a ``data'' spin into multiple quantum coherences involving additional ancilla spins. These multiple quantum coherences relax at differing rates, thus permitting the original state of the data to be approximately reconstructed by mixing them together in an appropriate fashion. This paper describes the operation of a simple, three-bit quantum code in the product operator formalism, and uses geometric algebra methods to obtain the error-corrected decay curve in the presence of arbitrary correlations in the external random fields. These predictions are confirmed in both the totally correlated and uncorrelated cases by liquid-state NMR experiments on 13C-labeled alanine, using gradient-diffusion methods to implement these idealized decoherence models. Quantum error correcti...

  20. Determining Transition State Geometries in Liquids Using 2D-IR

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Charles; Cahoon, James F.; Sawyer, Karma R.; Schlegel, Jacob P.; Harris, Charles B.

    2007-12-11

    Many properties of chemical reactions are determined by the transition state connecting reactant and product, yet it is difficult to directly obtain any information about these short-lived structures in liquids. We show that two-dimensional infrared (2D-IR) spectroscopy can provide direct information about transition states by tracking the transformation of vibrational modes as a molecule crossed a transition state. We successfully monitored a simple chemical reaction, the fluxional rearrangement of Fe(CO)5, in which the exchange of axial and equatorial CO ligands causes an exchange of vibrational energy between the normal modes of the molecule. This energy transfer provides direct evidence regarding the time scale, transition state, and mechanism of the reaction.

  1. Application in pesticide analysis: Liquid chromatography - A review of the state of science for biomarker discovery and identification

    Science.gov (United States)

    Book Chapter 18, titled Application in pesticide analysis: Liquid chromatography - A review of the state of science for biomarker discovery and identification, will be published in the book titled High Performance Liquid Chromatography in Pesticide Residue Analysis (Part of the C...

  2. Laboratory test of a prototype heat storage module based on stable supercooling of sodium acetate trihydrate

    DEFF Research Database (Denmark)

    Dannemand, Mark; Kong, Weiqiang; Fan, Jianhua;

    2015-01-01

    Laboratory test of a long term heat storage module utilizing the principle of stable supercooling of 199.5 kg of sodium acetate water mixture has been carried out. Avoiding phase separation of the incongruently melting salt hydrate by using the extra water principle increased the heat storage...... the supercooled sodium acetate water mixture was 194 kJ/kg of sodium acetate water mixture in the first test cycles dropping to 179 kJ/kg in the later test cycles. Instability of the supercooling occurred when the charging periods were short and in the last test cycles where the tube connecting the module...

  3. Effects of Artificial Supercooling Followed by Slow Freezing on the Microstructure and Qualities of Pork Loin

    OpenAIRE

    Kim, Yiseul; Hong, Geun-Pyo

    2016-01-01

    This study investigated the effects of artificial supercooling followed by still air freezing (SSF) on the qualities of pork loin. The qualities of pork frozen by SSF were compared with the fresh control (CT, stored at 4℃ for 24 h), slow freezing (SAF, still air freezing) and rapid freezing (EIF, ethanol immersion freezing) treatments. Compared with no supercooling phenomena of SAF and EIF, the extent of supercooling obtained by SSF treatment was 1.4℃. Despite that SSF was conducted with the ...

  4. Unraveling the microscopic pathway of homogeneous water crystallization at supercooled conditions from direct simulations

    Science.gov (United States)

    Martelli, Fausto; Palmer, Jeremy; Singh, Rakesh; Debenedetti, Pablo; Car, Roberto

    By means of unbiased classical molecular dynamics simulations, we identify the microscopic pathways of spontaneous homogeneous crystallization in supercooled ST2 water. By introducing a new order parameter, we are able to monitor formation/disruption of locally ordered regions characterized by small ice clusters with intermediate range order. When two of these regions are close each other, they percolate and form a larger ordered region. The process is slow enough to allow for polymorphic selection in favor of cubic ice (Ic). The formation of an ice nucleus requires percolation of many small clusters so that the transformations at the interface of the nucleus do not involve its core, thus guaranteeing the stability of the nucleus. The growth of the crystalline nucleus is fast and involves direct transformation of interfacial liquid molecules as well as percolation of small Ic/Ih clusters. The growth is too fast to allow conversion of Ih into Ic sites, originating the formation of a stacking fault in the final crystal. We recognize Euclidean structures in the oxygen configuration of the second shell in Ic and Ih clusters. This new point of view allows us to explain the source of the ordered stacking fault geometry.

  5. Structural relaxation mechanisms in liquid Eugenol. A depolarized light scattering study

    Science.gov (United States)

    Bezot, P.; Hesse-Bezot, C.; Roynard, D.; Jeanneaux, F.

    1988-07-01

    A depolarized light scattering study of liquid Eugenol, over a large temperature range including the supercooled region, is proposed. Comparisons with shear mechanical impedance measurements, obtained at lower frequencies, lead to more precise information on the viscoelastic parameters in the supercooled region. The structural relaxation process measurements by means of the photon correlation technique are compared to the dielectric and mechanical measurements. Molecular mechanisms are proposed.

  6. Mechanism of supercooling in flower bud of Camellia oleifea

    Institute of Scientific and Technical Information of China (English)

    苏维埃; 潘良文

    1995-01-01

    It is the first time for MRI to be used in the research of flower buds supercooling. Directobservation on freezing course of living flower buds of Camellia yuhsienensis by MRI and tissue browning test showed that freezing order of the flower organs is bud axis, scale, petal, pistil and stamen. It is coincident with the direction of ice development from bud axes to flower organs upwards. The corresponding results from MRI and freezing-fixation showed that the water translocation from flower organs to axes and scales is carried on in the course of bud freezing. ’H spectral measurement of NMR was used to follow the decrease of unfrozen water in the buds during the cooling.

  7. A molecular dynamics study on surface properties of supercooled water

    Institute of Scientific and Technical Information of China (English)

    L(U) Yongjun; WEI Bingbo

    2006-01-01

    Molecular dynamics simulations were performed to study the surface properties of water in a temperature range from 228 to 293 K by using the extended simple point charge (SPC/E) and four-site TIP4P potentials. The calculated surface tension increases with the decrease of temperature, and moreover the slopes of the surface tension-temperature curves show a weak rise below 273 K, whereas no obvious anomalies appear near 228 K, which accords with the previous experiments. Compared with the measured values, the SPC/E potential shows a good agreement, and the TIP4P potential scription of the surface structure of supercooled water for the SPC/E. When simulating the orientational distributions of water molecules near the surface, the SPC/E potential produces higher ordering and larger surface potentials than the TIP4P potential.

  8. Topological Influence of Lyotropic Liquid Crystalline Systems on Excited-State Proton Transfer Dynamics.

    Science.gov (United States)

    Roy, Bibhisan; Satpathi, Sagar; Hazra, Partha

    2016-03-29

    In the present work, we have investigated the excited-state proton transfer (ESPT) dynamics inside lipid-based reverse hexagonal (HII), gyroid Ia3d, and diamond Pn3m LLC phases. Polarized light microscopy (PLM) and small-angle X-ray scattering (SAXS) techniques have been employed for the characterization of LLC systems. Time-resolved fluorescence results reveal the retarded ESPT dynamics inside liquid crystalline systems compared to bulk water, and it follows the order HII water and it follows the order H2O constant and different channel diameters of these LLC systems. However, the dissociation dynamics is found to be slower than bulk water and it follows the order HII dissociation dynamics in these liquid crystalline systems.

  9. Communication: Probing the existence of partially arrested states in ionic liquids.

    Science.gov (United States)

    Ramírez-González, Pedro E; Sanchéz-Díaz, Luis E; Medina-Noyola, Magdaleno; Wang, Yanting

    2016-11-21

    The recent predictions of the self-consistent generalized Langevin equation theory, describing the existence of unusual partially arrested states in the context of ionic liquids, were probed using all-atom molecular dynamics simulations of a room-temperature ionic liquid. We have found a slower diffusion of the smaller anions compared with the large cations for a wide range of temperatures. The arrest mechanism consists on the formation of a strongly repulsive glass by the anions, stabilized by the long range electrostatic potential. The diffusion of the less repulsive cations occurs through the holes left by the small particles. All of our observations in the simulated system coincide with the theoretical picture.

  10. Communication: Probing the existence of partially arrested states in ionic liquids

    Science.gov (United States)

    Ramírez-González, Pedro E.; Sanchéz-Díaz, Luis E.; Medina-Noyola, Magdaleno; Wang, Yanting

    2016-11-01

    The recent predictions of the self-consistent generalized Langevin equation theory, describing the existence of unusual partially arrested states in the context of ionic liquids, were probed using all-atom molecular dynamics simulations of a room-temperature ionic liquid. We have found a slower diffusion of the smaller anions compared with the large cations for a wide range of temperatures. The arrest mechanism consists on the formation of a strongly repulsive glass by the anions, stabilized by the long range electrostatic potential. The diffusion of the less repulsive cations occurs through the holes left by the small particles. All of our observations in the simulated system coincide with the theoretical picture.

  11. Studies of liquid water by computer simulations. V. Equation of state of fluid water with Carravetta-Clementi potential

    Science.gov (United States)

    Kataoka, Yosuke

    1987-07-01

    The pressure of liquid water at normal density is obtained by molecular dynamics simulations based on four intermolecular potential functions derived from quantum chemical calculations of the water dimer; Matsuoka-Clementi-Yoshimine, Carravetta-Clementi, Clementi-Habitz, Yoon-Morokuma-Davidson. Among them, the Carravetta-Clementi potential gives the most reasonable temperature-dependence of pressure, although the absolute value is large compared with the experimental one. The fluid state is surveyed over a wide range of temperature and density with the Carravetta-Clementi potential. The equation of state of fluid water is determined by a least-square fitting of the calculated energies and pressures at 347 state points. The anomalous properties of liquid water observed experimentally are nonempirically reproduced on a semiquantitative level. The calculated equation of state of liquid water is consistent with the Speedy-Angell conjecture on the limit of stability of the liquid phase.

  12. Superconducting states in strongly correlated systems with nonstandard quasiparticles and real space pairing: an unconventional Fermi-liquid limit

    Directory of Open Access Journals (Sweden)

    J. Spałek

    2010-01-01

    Full Text Available We use the concept of generalized (almost localized Fermi Liquid composed of nonstandard quasiparticles with spin-dependence effective masses and the effective field induced by electron correlations. This Fermi liquid is obtained within the so-called statistically-consistent Gutzwiller approximation (SGA proposed recently [cf. J. Jędrak et al., arXiv: 1008.0021] and describes electronic states of the correlated quantum liquid. Particular emphasis is put on real space pairing driven by the electronic correlations, the Fulde-Ferrell state of the heavy-fermion liquid, and the d-wave superconducting state of high temperature curate superconductors in the overdoped limit. The appropriate phase diagrams are discussed showing in particular the limits of stability of the Bardeen-Cooper-Schrieffer (BCS type of state.

  13. Optical and thermodynamic property measurements of liquid metals and alloys

    Science.gov (United States)

    Weber, J. K. Richard; Krishnan, Shankar; Schiffman, Robert A.; Nordine, Paul C.

    Optical properties and spectral emissivities of liquid silicon, titanium, niobium, and zirconium were investigated by HeNe laser polarimetry at λ = 632.8 nm. The metals were of a high purity and, except for zirconium, clean. The more demanding environmental requirements for eliminating oxide or nitride phases from zirconium were not met. Containerless conditions were achieved by electromagnetic levitation and heating. CO2 laser beam heating was also used to extend the temperature range for stable levitation and to heat solid silicon to form the metallic liquid phase. Corrections to previously reported calorimetric measurements of the heat capacity of liquid niobium were derived from the measured temperature dependence of its spectral emissivity. Property measurements were obtained for supercooled liquid silicon and supercooling of liquid zirconium was accomplished. The purification of liquid metals and the extension of this work on liquids to the measurement of thermodynamic properties and phase equilibria are discussed.

  14. Observations of ice multiplication in a weakly convective cell embedded in supercooled mid-level stratus

    Directory of Open Access Journals (Sweden)

    J. Crosier

    2011-01-01

    evidence for the Hallett-Mossop (HM process of secondary ice particle production leading to the formation of the precipitation observed. This includes (1 Ice concentrations in the convective feature were more than an order of magnitude greater than the concentration of primary ice in the overlaying stratus, (2 Large concentrations of small pristine columns were observed at the ~−5 °C level together with liquid water droplets and a few rimed ice particles, (3 Columns were larger and increasingly rimed at colder temperatures. Calculated ice splinter production rates are consistent with observed concentrations if the condition that only droplets greater than 24 μm are capable of generating secondary ice splinters is relaxed.

    This case demonstrates the importance of understanding the formation of ice at slightly supercooled temperatures, as it can lead to secondary ice production and the formation of precipitation in clouds which may not otherwise be considered as significant precipitation sources.

  15. Metastable liquid-liquid transition in a molecular model of water

    Science.gov (United States)

    Palmer, Jeremy C.; Martelli, Fausto; Liu, Yang; Car, Roberto; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.

    2014-06-01

    Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many experimental, theoretical and computational studies have sought to understand the molecular origin and implications of this anomalous behaviour. Of the different theoretical scenarios put forward, one posits the existence of a first-order phase transition that involves two forms of liquid water and terminates at a critical point located at deeply supercooled conditions. Some experimental evidence is consistent with this hypothesis, but no definitive proof of a liquid-liquid transition in water has been obtained to date: rapid ice crystallization has so far prevented decisive measurements on deeply supercooled water, although this challenge has been overcome recently. Computer simulations are therefore crucial for exploring water's structure and behaviour in this regime, and have shown that some water models exhibit liquid-liquid transitions and others do not. However, recent work has argued that the liquid-liquid transition has been mistakenly interpreted, and is in fact a liquid-crystal transition in all atomistic models of water. Here we show, by studying the liquid-liquid transition in the ST2 model of water with the use of six advanced sampling methods to compute the free-energy surface, that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. We follow the rearrangement of water's coordination shell and topological ring structure along a thermodynamically reversible path from the low-density liquid to cubic ice. We also show that the system fluctuates freely between the two liquid phases rather than crystallizing. These findings provide unambiguous evidence for a liquid-liquid transition in

  16. Temperature measurement of supercooled droplet in icing phenomenon by means of dual-luminescent imaging

    Science.gov (United States)

    Tanaka, M.; Morita, K.; Mamori, H.; Fukushima, N.; Yamamoto, M.

    2017-08-01

    The collision of a supercooled water droplet with a surface result an object creates ice accretion on the surface. The icing problem in any cold environments leads to severe damages on aircrafts, and a lot of studies on prevention and prediction techniques for icing have been conducted so far. Therefore, it is very important to know the detail of freezing mechanism of supercooled water droplets to improve the anti-and de-icing devices and icing simulation codes. The icing mechanism of a single supercooled water droplet impacting on an object surface would give us great insights for the purpose. In the present study, we develop a dual-luminescent imaging technique to measure the time-resolved temperature of a supercooled water droplet impacting on the surface under different temperature conditions. We apply this technique to measure the exact temperature of a water droplet, and to discuss the detail of the freezing process.

  17. Shock Hugoniots of molecular liquids and the principle of corresponding states

    Energy Technology Data Exchange (ETDEWEB)

    Chisolm, Eric D [Los Alamos National Laboratory; Crockett, Scott D [Los Alamos National Laboratory; Shaw, Milton S [Los Alamos National Laboratory

    2009-01-01

    We observe that the shock velocity-particle velocity Hugoniots for various liquids (e.g. nitrogen, oxygen, carbon dioxide, argon) lie almost on top of one another. Recalling the work of Ross and Ree [J. Chem. Phys. 73, 6146-6152 (1980)], we hypothesize that these materials obey a principle of corresponding states. We use the principle to deduce how the Hugoniots of two corresponding materials should be related, and we compare the results with data and find good agreement. We suggest this as a method for estimating the Hugoniot of a material of the appropriate type in the absence of shock data, and we illustrate with fluorine.

  18. Absolute Equation of State Measurements on Shocked Liquid Deuterium up to 200GPa (2Mbar)

    Energy Technology Data Exchange (ETDEWEB)

    Da Silva, L.; Celliers, P.; Collins, G.; Budil, K.; Holmes, N.; Barbee, T. Jr.; Hammel, B.; Kilkenny, J.; Wallace, R.; Ross, M.; Cauble, R. [Lawrence Livermore Laboratory, Livermore, California 94550 (United States); Ng, A.; Chiu, G. [University of British Columbia, Vancouver, British Columbia (Canada)

    1997-01-01

    We present results of the first measurements of density, shock speed, and particle speed in liquid deuterium compressed by laser-generated shock waves to pressures from 25 to 210Gpa (0.25 to 2.1Mbar). The data show a significant increase in D{sub 2} compressibility above 50Gpa compared to a widely used equation of state model. The data strongly suggest a thermal molecular dissociation transition of the diatomic fluid into a monatomic phase. {copyright} {ital 1997} {ital The American Physical Society}

  19. The optical Tamm states in a photonic-crystal Structure based on the cholesteric liquid crystal

    CERN Document Server

    Vetrov, Stepan Ya; Timofeev, Ivan V

    2015-01-01

    We investigate the localized surface modes in a structure consisting of the cholesteric liquid crystal layer, a phase plate, and a metal layer. These modes are analogous to the optical Tamm states. The anisotropy of transmission of light propagating the forward and backward directions is established. It is demonstrated that the transmission spectrum can be controlled by external fields acting on the cholesteric and by varying the plane of polarization of the incident light. [The text is presented both in English (pp 1-10) and in Russian (pp 11-20)

  20. Electronic liquid crystal state in a strongly underdoped high-temperature superconductor

    Energy Technology Data Exchange (ETDEWEB)

    Hinkov, V.; Haug, D.; Lin, C.T.; Keimer, B. [MPI-FKF, Stuttgart (Germany); Fauque, B.; Sidis, Y.; Bourges, P. [LLB, Saclay (France); Ivanov, A. [ILL, Grenoble (France); Bernhard, C. [Univ. of Fribourg (Switzerland)

    2008-07-01

    Liquid crystals are states of matter without static crystalline order that break the rotational symmetry of free space while at least partially preserving its translational symmetry. Highly correlated electronic phases with symmetry properties analogous to those of conventional liquid crystals have been theoretically predicted (Kivelson et al., Nature 393, 550) and recently discovered in the layered bulk transition metal oxide Sr{sub 3}Ru{sub 2}O{sub 7} (Borzi et al., Science 315, 214). In both cases, however, these phases are stable only at milli-Kelvin temperatures and in high magnetic fields, and have thus far only been probed by transport measurements. After briefly summarizing our work on YBCO{sub 6.6} (Hinkov et al., Nature Physics 3, 780), we report the spontaneous onset of a strong one-dimensional, incommensurate modulation of the spin system in the underdoped high-temperature superconductor YBa{sub 2}Cu{sub 3}O{sub 6.45} upon cooling below 150 K, while muon-spin-relaxation experiments on the same sample demonstrate that static magnetic order is absent down to temperatures of at least 2 K. The symmetry properties of the spin system thus match those of a nematic liquid crystal over a wide temperature range. Soft spin fluctuations are thus a microscopic route towards the formation of electronic nematic phases, which can coexist with high-T{sub c} superconductivity.

  1. The logarithmic relaxation process and the critical temperature of liquids in nano-confined states

    Science.gov (United States)

    Chen, Changjiu; Wong, Kaikin; Mole, Richard A.; Yu, Dehong; Chathoth, Suresh M.

    2016-09-01

    The logarithmic relaxation process is the slowest of all relaxation processes and is exhibited by only a few molecular liquids and proteins. Bulk salol, which is a glass-forming liquid, is known to exhibit logarithmic decay of intermediate scattering function for the β-relaxation process. In this article, we report the influence of nanoscale confinements on the logarithmic relaxation process and changes in the microscopic glass-transition temperature of salol in the carbon and silica nanopores. The generalized vibrational density-of-states of the confined salol indicates that the interaction of salol with ordered nanoporous carbon is hydrophilic in nature whereas the interaction with silica surfaces is more hydrophobic. The mode-coupling theory critical temperature derived from the QENS data shows that the dynamic transition occurs at much lower temperature in the carbon pores than in silica pores. The results of this study indicate that, under nano-confinements, liquids that display logarithmic β-relaxation phenomenon undergo a unique glass transition process.

  2. A systematic experimental study on the evaporation rate of supercooled water droplets at subzero temperatures and varying relative humidity

    Science.gov (United States)

    Ruberto, S.; Reutzsch, J.; Roth, N.; Weigand, B.

    2017-05-01

    Supercooled water droplets (SWD) are present in clouds at high altitude and subjected to very low temperatures and high relative humidity. These droplets exist in a metastable state. The understanding of the evaporation of SWD at these extreme conditions is of high interest to understand rain, snow, and hail generating mechanisms in clouds. This paper focuses on the experimental results of the measurements of the evaporation rates β of supercooled water droplets. For this purpose, single SWDs are trapped by means of optical levitation. During the evaporation process, the elastically scattered light in the forward regime is recorded and evaluated. Experiments have been performed for different relative humidities φ at three constant ambient temperatures, namely, {T_∞}=268.15; 263.15; 253.15 {{K}} ({t_∞} = -5; -10; -20°C). The experimental data agrees well with direct numerical simulations (DNS) carried out with the in-house code Free Surface 3D (FS3D) and shows that the use of a simplified model is permissible for these ambient conditions.

  3. Temperature-Induced Liquid-Liquid Transition in Metallic Melts: A Brief Review on the New Physical Phenomenon

    Directory of Open Access Journals (Sweden)

    Fang-Qiu Zu

    2015-03-01

    Full Text Available Understanding the nature of liquid structures and properties remains an open problem for many fundamental and applied fields. It is well known that there is no other defined phase line above liquidus (TL in phase diagrams of ordinary alloys. However, via resorts of internal friction, electric resistivity, thermal analysis, X-ray diffraction, solidification, etc., the results of our research on lots of single- and multiple-component melts show a novel physical image: temperature induced liquid-liquid structure transition (TI-LLST can occur above TL. Moreover, the solidification behaviors and structures out of the melts that experienced TI-LLST are distinct from those out of the melts before TI-LLST. In this paper, some typical examples of TI-LLST and characteristic aspects of the TI-LLST are briefly reviewed, in which the main contents are limited in our own achievements, although other groups have also observed similar phenomena using different methods. In the sense of phenomenology, TI-LLST reported here is quite different from other recognized liquid transitions, i.e., there are only a few convincing cases of liquid P, Si, C, H2O, Al2O3-Y2O3, etc. in which the transition occurs, either induced by pressure or at a supercooled state and near liquidus.

  4. Dual spectrum neutron radiography: identification of phase transitions between frozen and liquid water.

    Science.gov (United States)

    Biesdorf, J; Oberholzer, P; Bernauer, F; Kaestner, A; Vontobel, P; Lehmann, E H; Schmidt, T J; Boillat, P

    2014-06-20

    In this Letter, a new approach to distinguish liquid water and ice based on dual spectrum neutron radiography is presented. The distinction is based on arising differences between the cross section of water and ice in the cold energy range. As a significant portion of the energy spectrum of the ICON beam line at Paul Scherrer Institut is in the thermal energy range, no differences can be observed with the entire beam. Introducing a polycrystalline neutron filter (beryllium) inside the beam, neutrons above its cutoff energy are filtered out and the cold energy region is emphasized. Finally, a contrast of about 1.6% is obtained with our imaging setup between liquid water and ice. Based on this measurement concept, the temporal evolution of the aggregate state of water can be investigated without any prior knowledge of its thickness. Using this technique, we could unambiguously prove the production of supercooled water inside fuel cells with a direct measurement method.

  5. Self-aggregation of vapor-liquid phase transition

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The concept of the molecular free path is introduced to derive a criterion distinguishing active molecules from inactive molecules in liquid phase. Based on molecular self-aggregation theory a concept of the critical aggregation concentration (CAC) of active molecules is proposed to describe the physical configuration before the formation of the nuclei in the process of vapor-liquid phase transition. All active molecules exist in the form of the monomer when the concentration of active molecules is lower than CAC, while the active molecules will generate aggregation once the concentration of the active molecules reaches CAC. However, these aggregates with the aggregation number N smaller than 5 can steadily exist in bulk phase. The other excess active molecules can only produce infinite aggregation and form a critical nucleus of vapor-liquid phase transition. Without outer perturbation the state point of CAC corresponds to the critical superheated or supercooled state in the process of vapor-liquid phase transition. With the aggregate property, the interfacial tension between the bulk phase and the tiny new phase is predicted and a correction is made for the classical nucleation rate in a quite good agreement with experimental results.

  6. Production of fungal antibiotics using polymeric solid supports in solid-state and liquid fermentation.

    Science.gov (United States)

    Bigelis, Ramunas; He, Haiyin; Yang, Hui Y; Chang, Li-Ping; Greenstein, Michael

    2006-10-01

    The use of inert absorbent polymeric supports for cellular attachment in solid-state fungal fermentation influenced growth, morphology, and production of bioactive secondary metabolites. Two filamentous fungi exemplified the utility of this approach to facilitate the discovery of new antimicrobial compounds. Cylindrocarpon sp. LL-Cyan426 produced pyrrocidines A and B and Acremonium sp. LL-Cyan416 produced acremonidins A-E when grown on agar bearing moist polyester-cellulose paper and generated distinctly different metabolite profiles than the conventional shaken or stationary liquid fermentations. Differences were also apparent when tenfold concentrated methanol extracts from these fermentations were tested against antibiotic-susceptible and antibiotic-resistant Gram-positive bacteria, and zones of inhibition were compared. Shaken broth cultures of Acremonium sp. or Cylindrocarpon sp. showed complex HPLC patterns, lower levels of target compounds, and high levels of unwanted compounds and medium components, while agar/solid support cultures showed significantly increased yields of pyrrocidines A and B and acremonidins A-E, respectively. This method, mixed-phase fermentation (fermentation with an inert solid support bearing liquid medium), exploited the increase in surface area available for fungal growth on the supports and the tendency of some microorganisms to adhere to solid surfaces, possibly mimicking their natural growth habits. The production of dimeric anthraquinones by Penicillium sp. LL-WF159 was investigated in liquid fermentation using various inert polymeric immobilization supports composed of polypropylene, polypropylene cellulose, polyester-cellulose, or polyurethane. This culture produced rugulosin, skyrin, flavomannin, and a new bisanthracene, WF159-A, after fermentation in the presence and absence of polymeric supports for mycelial attachment. The physical nature of the different support systems influenced culture morphology and relative

  7. Equation of state of initially liquid carbon monoxide and nitrogen mixture

    Institute of Scientific and Technical Information of China (English)

    YANG JinWen; SUN Dong; SUN Yue; SHI ShangChun

    2008-01-01

    Academy of Engineering Physics,Mianyang 621900,ChinaThe modified liquid perturbation variational theory and the improved vdW-1f model were applied to calculating the equation of the state of liquid CO-N2 mixture with the ratio of 1:1,4:1 and 1:4,respectively,in the shock pressure range of 9-49 Gpa.It was shown that the calculated result for CO-N2 mixture with the ratio of 1:1 is well consistent with the earlier experimental data.The thermodynamics equilibrium,chemical equilibrium and phase equilibrium were all considered in detail.It was found that Hugoniot of liquid CO-N2 mixture is moderately softened in the pressure range of 20-30 Gpa and 30-49 Gpa for different initial proportions,and that the Hugoniot is more softened in the latter pressure range,which means that the structural phase transition occurs near 20 Gpa and 30 Gpa.Since the shock pro-ductions may absorb a plenty of systematic energy,the shock temperature and pressure decline compared with the case of no chemical reaction.Pressures and temperatures increase gradually with the increase in the mole fraction of nitrogen composition.The results for the 1:1 CO-N2 mixture lie in the middle of two others.Therefore,it was shown that the modified Lorentz-Berthelor rule used in the scheme is effective to study shock-compression properties of liquid CO-N2 mixture under high temperatures and high pressures.

  8. Photo-excited states in germanium at liquid-helium temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Culbertson, J.C.

    1982-12-01

    A wide variety of experimental work dealing with the basic properties of photoexcited states in Ge at liquid helium temperatures is presented. The primary emphasis is on the electron-hole liquid (EHL) and the free exciton (FE). The EHL is composed of two interpenetrating Fermi liquids, one of electrons and one of holes, each with its own Fermi level. The FE dealt with here is a mobile, loosely bound state of an electron and a hole. We report the first absolute measurement of the density dependence of the enhancement factor g/sub eh/(0) for the EHL in Ge. This factor g/sub eh/(0) is a measure of the electron-hole spatial correlation function, and provides a valuable and sensitive test for the predictions of various many-body-theory approximations. An EHL droplet - FE gas system confined to a strain induced potential well was used. The measurement approach relied on only a few simple and verifiable assumptions. A byproduct of this work was the measurement as a function of stress of: the electron and hole Fermi levels E/sub F//sup e/ and E/sub F//sup h/, the EHL density n/sub l/, the condensation energy phi of a FE relative to the EHL, and the binding energy of a FE (E/sub x/) relative to free carriers (FC). The decay of a FE-FC system confined to a strain induced potential well is studied. The first direct measurement of the FE diffusivity D/sub x/ is reported. The evolution in time of spatial profiles of FE luminescence were measured. From these FE density profiles, D/sub x/(4.2K) approx. = to 300 cm/sup 2/ s/sup -1/, the surface recombination velocity S approx. = 3000 cm s/sup -1/, and the FE lifetime tau/sub x/ = 27 ..mu..s with surface effects excluded were determined. (WHK)

  9. Transient state study of electric motor heating and phase change solid-liquid cooling

    Energy Technology Data Exchange (ETDEWEB)

    Bellettre, J.; Sartre, V.; Lallemand, A. [Centre National de la Recherche Scientifique (CNRS), Centre de Thermique de Lyon, Villeurbanne, 69 (France); Biais, F. [AUXILEC, Chatou, 78 (France)

    1997-01-01

    This study reports on modelling of an autosynchronous electric motor stator, operating at transient state. The developed model, of the modal type, includes around 20 nodes. The simulations showed that hot spots are localized on the winding heads and led to the choice of a solid-liquid phase change cooling system. The comparison between simulation and experiment permitted the identification of unknown parameters. The model gives a good accuracy during steady-state and in the rising temperature phase. The modelling of the phase change cooling is realized by the addition of two nodes. The sensitivity analysis to PCM properties shows that the hot spot temperature decreases with increasing conductivities, inertia and latent heat of melting of the PCM and with decreasing melting temperature. Gallium (metal melting at 30{sup o}C) is the best PCM for the cooling of hot spots and P116 paraffin is the best non-metallic PCM. (author)

  10. Preparation of cluster states with trapped electrons on a liquid helium surface

    Institute of Scientific and Technical Information of China (English)

    Ai Ling-Yan; Shi Yan-Li; Zhang Zhi-Ming

    2011-01-01

    We present a scheme for the preparation of one-dimensional (1D) and two-dimensional (2D) cluster states with electrons trapped on a liquid helium surface and driven by a classical laser beam.The two lowest levels of the vertical motion of the electron act as a two-level system,and the quantized vibration of the electron along one of the parallel directions (the x direction) serves as the bosonic mode.The degrees of freedom of the vertical and parallel motions of the trapped electron can be coupled together by a classical laser field.With the proper frequency of the laser field,the cluster states can be realized.

  11. Discotic columnar liquid crystal studied in the bulk and nanoconfined states by molecular dynamics simulation.

    Science.gov (United States)

    Busselez, Rémi; Cerclier, Carole V; Ndao, Makha; Ghoufi, Aziz; Lefort, Ronan; Morineau, Denis

    2014-10-07

    A prototypical Gay Berne discotic liquid crystal was studied by means of molecular dynamics simulations both in the bulk state and under confinement in a nanoporous channel. The phase behavior of the confined system strongly differs from its bulk counterpart: the bulk isotropic-to-columnar transition is replaced by a continuous ordering from a paranematic to a columnar phase. Moreover, a new transition is observed at a lower temperature in the confined state, which corresponds to a reorganization of the intercolumnar order. It reflects the competing effects of pore surface interaction and genuine hexagonal packing of the columns. The translational molecular dynamics in the different phases has been thoroughly studied and discussed in terms of collective relaxation modes, non-Gaussian behavior, and hopping processes.

  12. Entanglement entropy of composite Fermi liquid states on the lattice: In support of the Widom formula

    Science.gov (United States)

    Mishmash, Ryan V.; Motrunich, Olexei I.

    2016-08-01

    Quantum phases characterized by surfaces of gapless excitations are known to violate the otherwise ubiquitous boundary law of entanglement entropy in the form of a multiplicative log correction: S ˜Ld -1logL . Using variational Monte Carlo, we calculate the second Rényi entropy for a model wave function of the ν =1 /2 composite Fermi liquid (CFL) state defined on the two-dimensional triangular lattice. By carefully studying the scaling of the total Rényi entropy and, crucially, its contributions from the modulus and sign of the wave function on various finite-size geometries, we argue that the prefactor of the leading L logL term is equivalent to that in the analogous free fermion wave function. In contrast to the recent results of Shao et al. [Phys. Rev. Lett. 114, 206402 (2015), 10.1103/PhysRevLett.114.206402], we thus conclude that the "Widom formula" holds even in this non-Fermi liquid CFL state. More generally, our results further elucidate—and place on a more quantitative footing—the relationship between nontrivial wave function sign structure and S ˜L logL entanglement scaling in such highly entangled gapless phases.

  13. Kinetic competition in liquid electrolyte and solid-state cyanine dye sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Tatay, S.; Gavina, P. [ICMol-UV, Poligono Industrial La Coma s/n, Paterna (Spain); Haque, S.A.; O' Regan, B.C.; Durrant, J.R. [Centre for Electronic Materials and Devices, Chemistry Department, Imperial College, South Kensington, London SW7 2AZ (United Kingdom); Vidal-Ferran, A. [Catalan Institution for Research and Advanced Studies ICREA, Barcelona (Spain); Palomares, E. [Institute of Chemical Research of Catalonia ICIQ, Avgda, Paysos Catalans 16, 43007 Tarragona (Spain); Verhees, W.J.H.; Kroon, J.M. [ECN Solar Energy, Petten (Netherlands)

    2007-08-15

    The photovoltaic performance of liquid electrolyte and solid-state dye sensitized solar cells, employing a squarilium methoxy cyanide dye, are evaluated in terms of interfacial electron transfer kinetics. Dye adsorption to the metal oxide film resulted in a mixed population of aggregated and monomeric sensitizer dyes. Emission quenching data, coupled with transient absorption studies, indicate that efficient electron injection was only achieved by the monomeric dyes, with the aggregated dye population having an injection yield an order of magnitude lower. In liquid electrolyte devices, transient absorption studies indicate that photocurrent generation is further limited by slow kinetics of the regeneration of monomeric dye cations by the iodide/iodine redox couple. The regeneration dynamics are observed to be too slow ( 100 {mu}s) to compete effectively with the recombination of injected electrons with dye cations. In contrast, for solid-state devices employing the organic hole conductor spiro-OMeTAD, the regeneration dynamics are fast enough (1{mu}s) to compete effectively with this recombination reaction, resulting in enhanced photocurrent generation.

  14. A new equation of state for better liquid density prediction of natural gas systems

    Science.gov (United States)

    Nwankwo, Princess C.

    Equations of state formulations, modifications and applications have remained active research areas since the success of van der Waal's equation in 1873. The need for better reservoir fluid modeling and characterization is of great importance to petroleum engineers who deal with thermodynamic related properties of petroleum fluids at every stage of the petroleum "life span" from its drilling, to production through the wellbore, to transportation, metering and storage. Equations of state methods are far less expensive (in terms of material cost and time) than laboratory or experimental forages and the results are interestingly not too far removed from the limits of acceptable accuracy. In most cases, the degree of accuracy obtained, by using various EOS's, though not appreciable, have been acceptable when considering the gain in time. The possibility of obtaining an equation of state which though simple in form and in use, could have the potential of further narrowing the present existing bias between experimentally determined and popular EOS estimated results spurred the interest that resulted in this study. This research study had as its chief objective, to develop a new equation of state that would more efficiently capture the thermodynamic properties of gas condensate fluids, especially the liquid phase density, which is the major weakness of other established and popular cubic equations of state. The set objective was satisfied by a new semi analytical cubic three parameter equation of state, derived by the modification of the attraction term contribution to pressure of the van der Waal EOS without compromising either structural simplicity or accuracy of estimating other vapor liquid equilibria properties. The application of new EOS to single and multi-component light hydrocarbon fluids recorded far lower error values than does the popular two parameter, Peng-Robinson's (PR) and three parameter Patel-Teja's (PT) equations of state. Furthermore, this research

  15. Correlation between Fragility and the Arrhenius Crossover Phenomenon in Metallic, Molecular, and Network Liquids.

    Science.gov (United States)

    Jaiswal, Abhishek; Egami, Takeshi; Kelton, K F; Schweizer, Kenneth S; Zhang, Yang

    2016-11-11

    We report the observation of a distinct correlation between the kinetic fragility index m and the reduced Arrhenius crossover temperature θ_{A}=T_{A}/T_{g} in various glass-forming liquids, identifying three distinguishable groups. In particular, for 11 glass-forming metallic liquids, we universally observe a crossover in the mean diffusion coefficient from high-temperature Arrhenius to low-temperature super-Arrhenius behavior at approximately θ_{A}≈2 which is in the stable liquid phases. In contrast, for fragile molecular liquids, this crossover occurs at much lower θ_{A}≈1.4 and usually in their supercooled states. The θ_{A} values for strong network liquids spans a wide range higher than 2. Intriguingly, the high-temperature activation barrier E_{∞} is universally found to be ∼11k_{B}T_{g} and uncorrelated with the fragility or the reduced crossover temperature θ_{A} for metallic and molecular liquids. These observations provide a way to estimate the low-temperature glassy characteristics (T_{g} and m) from the high-temperature liquid quantities (E_{∞} and θ_{A}).

  16. A corresponding-states analysis of the liquid-vapor equilibrium properties of common water models

    Science.gov (United States)

    Fugel, Malte; Weiss, Volker C.

    2017-02-01

    Many atomistic potential models have been proposed to reproduce the properties of real water and to capture as many of its anomalies as possible. The large number of different models indicates that this task is by no means an easy one. Some models are reasonably successful for various properties, while others are designed to account for only a very few specific features of water accurately. Among the most popular models are SPC/E, TIP4P, TIP4P/2005, TIP4P/Ice, and TIP5P-E. Here, we report the equilibrium properties of the liquid-vapor coexistence, such as the densities of the liquid phase and the vapor phase, the interfacial tension between them, and the vapor pressure at saturation. From these data, the critical parameters are determined and subsequently used to cast the liquid-vapor coexistence properties into a corresponding-states form following Guggenheim's suggestions. Doing so reveals that the three TIP4P-based models display the same corresponding-states behavior and that the SPC/E model behaves quite similarly. Only the TIP5P-E model shows clear deviations from the corresponding-states properties of the other models. A comparison with data for real water shows that the reduced surface tension is well described, while the reduced coexistence curve is too wide. The models underestimate the critical compressibility factor and overestimate Guggenheim's ratio as well as the reduced boiling temperature (Guldberg's ratio). As demonstrated by the collapse of the data for the TIP4P-based models, these deviations are inherent to the specific model and cannot be corrected by a simple reparametrization. For comparison, the results for two recent polarizable models, HBP and BK3, are shown, and both models are seen to perform well in terms of absolute numbers and in a corresponding-states framework. The kind of analysis applied here can therefore be used as a guideline in the design of more accurate and yet simple multi-purpose models of water.

  17. A corresponding-states analysis of the liquid-vapor equilibrium properties of common water models.

    Science.gov (United States)

    Fugel, Malte; Weiss, Volker C

    2017-02-14

    Many atomistic potential models have been proposed to reproduce the properties of real water and to capture as many of its anomalies as possible. The large number of different models indicates that this task is by no means an easy one. Some models are reasonably successful for various properties, while others are designed to account for only a very few specific features of water accurately. Among the most popular models are SPC/E, TIP4P, TIP4P/2005, TIP4P/Ice, and TIP5P-E. Here, we report the equilibrium properties of the liquid-vapor coexistence, such as the densities of the liquid phase and the vapor phase, the interfacial tension between them, and the vapor pressure at saturation. From these data, the critical parameters are determined and subsequently used to cast the liquid-vapor coexistence properties into a corresponding-states form following Guggenheim's suggestions. Doing so reveals that the three TIP4P-based models display the same corresponding-states behavior and that the SPC/E model behaves quite similarly. Only the TIP5P-E model shows clear deviations from the corresponding-states properties of the other models. A comparison with data for real water shows that the reduced surface tension is well described, while the reduced coexistence curve is too wide. The models underestimate the critical compressibility factor and overestimate Guggenheim's ratio as well as the reduced boiling temperature (Guldberg's ratio). As demonstrated by the collapse of the data for the TIP4P-based models, these deviations are inherent to the specific model and cannot be corrected by a simple reparametrization. For comparison, the results for two recent polarizable models, HBP and BK3, are shown, and both models are seen to perform well in terms of absolute numbers and in a corresponding-states framework. The kind of analysis applied here can therefore be used as a guideline in the design of more accurate and yet simple multi-purpose models of water.

  18. Modeling vapor-liquid interfaces with the gradient theory in combination with the CPA equation of state

    DEFF Research Database (Denmark)

    Queimada, Antonio; Miqueu, C; Marrucho, IM

    2005-01-01

    With the final purpose of describing the important aqueous + hydrocarbon liquid-liquid interfaces, the gradient theory was combined with the Cubic-Plus-Association equation of state (CPA EOS), taking advantage of the correct representation of interfacial tensions provided by the gradient theory...... and discussed. The good description of equilibrium properties such as vapor pressure and liquid and vapor phase densities is shown in the full range of the vapor-liquid saturation line. For non-associating components, results are compared with those from the Soave-Redlich-Kwong and Peng-Robinson equations...... of state. A correlation for the influence parameter is presented from which surface tensions can be obtained in a broad temperature range with average errors smaller than 1%. (c) 2004 Elsevier B.V. All rights reserved....

  19. Time-resolved crystallization of deeply cooled liquid hydrogen isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Kuehnel, Matthias

    2014-02-15

    This thesis serves two main purposes: 1. The introduction of a novel experimental method to investigate phase change dynamics of supercooled liquids 2. First-time measurements for the crystallization behaviour for hydrogen isotopes under various conditions (1) The new method is established by the synergy of a liquid microjet of ∼ 5 μm diameter and a scattering technique with high spatial resolution, here linear Raman spectroscopy. Due to the high directional stability and the known velocity of the liquid filament, its traveling axis corresponds to a time axis static in space. Utilizing evaporative cooling in a vacuum environment, the propagating liquid cools down rapidly and eventually experiences a phase transition to the crystalline state. This temporal evolution is probed along the filament axis, ultimately resulting in a time resolution of 10 ns. The feasibility of this approach is proven successfully within the following experiments. (2) A main object of study are para-hydrogen liquid filaments. Raman spectra reveal a temperature gradient of the liquid across the filament. This behaviour can quantitatively be reconstructed by numerical simulations using a layered model and is rooted in the effectiveness of evaporative cooling on the surface and a finite thermal conductivity. The deepest supercoolings achieved are ∼ 30% below the melting point, at which the filament starts to solidify from the surface towards the core. With a crystal growth velocity extracted from the data the appropriate growth mechanism is identified. The crystal structure that initially forms is metastable and probably the result of Ostwald's rule of stages. Indications for a transition within the solid towards the stable equilibrium phase support this interpretation. The analog isotope ortho-deuterium is evidenced to behave qualitatively similar with quantitative differences being mass related. In further measurements, isotopic mixtures of para-hydrogen and ortho-deuterium are

  20. Fractional Walden rule for electrolytes in supercooled disaccharide aqueous solutions.

    Science.gov (United States)

    Longinotti, M Paula; Corti, Horacio R

    2009-04-23

    The electrical conductivity of CsCl, KCl, Bu(4)NBr, and Bu(4)NI was studied in stable and supercooled (metastable) sucrose and trehalose aqueous solutions over a wide viscosity range. The results indicate that large positive deviations from the Walden rule occur in these systems due to the higher tendency of the ions to move in water-rich regions, as previously observed for NaCl and MgCl(2). The electrical molar conductivity viscosity dependence can be described with a fractional Walden rule (Lambdaeta(alpha) = constant), where alpha is a decoupling parameter which increases with ionic size and varies between 0.61 and 0.74 for all of the studied electrolytes. Using the electrical molar conductivity dependence of ion-ion interactions, an effective dielectric constant was calculated for a trehalose 39 wt% aqueous solution as a function of temperature. Above 278 K, the effective and the bulk solution dielectric constants are similar, but at lower temperatures, where the carbohydrate becomes less mobile than water, the effective dielectric constant approaches the dielectric constant of water. We also conclude that the solute-solvent dielectric friction contribution can be neglected, reinforcing the idea that the observed breakdown of the Walden rule is due to the existence of local microheterogeneities. The Walden plots for the studied ionic solutes show a decoupling similar to that found for the diffusion of water in the same solutions.

  1. Supercooling and cold energy storage characteristics of nano-media in ball-packed porous structures

    Directory of Open Access Journals (Sweden)

    Zhao Qunzhi

    2015-04-01

    Full Text Available The presented experiments aimed to study the supercooling and cold-energy storage characteristics of nanofluids and water-based nano-media in ball-packed porous structures (BPS. Titanium dioxide nanoparticles (TiO2 NPs measuring 20nm and 80nm were used as additives and sodium dodecyl benzene sulphonate (SDBS was used as anionic surfactant. The experiments used different concentrations of nanofluid, distilled with BPS of different spherical diameter and different concentrations of nano-media, and were conducted 20 times. Experimental results of supercooling were analysed by statistical methods. Results show that the average and peak supercooling degrees of nanofluids and nano-media in BPS are lower than those of distilled water. For the distilled water in BPS, the supercooling degree decreases on the whole with the decrease of the ball diameter. With the same spherical diameter (8mm of BPS, the supercooling degree of TiO2 NPs measuring 20nm is lower than the supercooling degree of distilled water in BPS. Step-cooling experiments of different concentrations of nanofluids and nano-media in BPS were also conducted. Results showed that phase transition time is reduced because of the presence of TiO2 NPs. The BPS substrate and the NPs enhance the heat transfer. Distilled water with a porous solid base and nanoparticles means the amount of cold-energy storage increases and the supercooling degree and the total time are greatly reduced. The phase transition time of distilled water is about 3.5 times that of nano-media in BPS.

  2. The Knight Shift in Liquid Binary Alloys : An Application of Quantum Chemistry in Liquid- and Solid-state Physics

    NARCIS (Netherlands)

    De Hosson, J. Th. M.; Van Der Lugt, W.

    1979-01-01

    We outline a model for calculating the Knight shifts of Na-23 and Li-7 nuclei in liquid sodium-lithium alloys. The model used for the calculations is based on the "multiple-scattering" model (self-consistent scattered wave). Bearing in mind that there exists an uncertainty of about 5-10% in the valu

  3. Performance of solid state supercapacitors based on polymer electrolytes containing different ionic liquids

    Science.gov (United States)

    Tiruye, Girum Ayalneh; Muñoz-Torrero, David; Palma, Jesus; Anderson, Marc; Marcilla, Rebeca

    2016-09-01

    Four Ionic Liquid based Polymer Electrolytes (IL-b-PE) were prepared by blending a Polymeric Ionic Liquid, Poly(diallyldimethylammonium) bis(trifluoromethanesulfonyl)imide (PILTFSI), with four different ionic liquids: 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide (PYR14TFSI) (IL-b-PE1), 1-butyl-1-methylpyrrolidinium bis(fluorosulfonyl)imide (PYR14FSI) (IL-b-PE2), 1-(2-hydroxy ethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (HEMimTFSI) (IL-b-PE3), and 1-Butyl-1-methylpyrrolidinium dicyanamide, (PYR14DCA) (IL-b-PE4). Physicochemical properties of IL-b-PE such as ionic conductivity, thermal and electrochemical stability were found to be dependent on the IL properties. For instance, ionic conductivity was significantly higher for IL-b-PE2 and IL-b-PE4 containing IL with small size anions (FSI and DCA) than IL-b-PE1 and IL-b-PE3 bearing IL with bigger anion (TFSI). On the other hand, wider electrochemical stability window (ESW) was found for IL-b-PE1 and IL-b-PE2 having ILs with electrochemically stable pyrrolidinium cation and FSI and TFSI anions. Solid state Supercapacitors (SCs) were assembled with activated carbon electrodes and their electrochemical performance was correlated with the polymer electrolyte properties. Best performance was obtained with SC having IL-b-PE2 that exhibited a good compromise between ionic conductivity and electrochemical window. Specific capacitance (Cam), real energy (Ereal) & real power densities (Preal) as high as 150 F g-1, 36 Wh kg-1 & 1170 W kg-1 were found at operating voltage of 3.5 V.

  4. SESAME 96170, a solid-liquid equation of state for CeO2

    Energy Technology Data Exchange (ETDEWEB)

    Chisolm, Eric D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-05-02

    I describe an equation of state (EOS) for the low-pressure solid phase and liquid phase of cerium (IV) oxide, CeO2. The models and parameters used to calculate the EOS are presented in detail, and I compare with data for the full-density crystal. Hugoniot data are available only for high-porosity powders, and I discuss difficulties in comparing with such data. I have constructed SESAME 96170, an EOS for cerium (IV) oxide that includes the ambient solid and liquid phases. The EOS extends over the full standard SESAME range, but should not be used at low temperatures and high densities because of the lack of a high-pressure solid phase. I have described the models used to compute the three terms of the EOS (cold curve, nuclear, and thermal electronic), and I have given the parameters used in the models. They were determined by comparison with experimental data at P = 1 atm, including the constant-pressure specific heat, coefficient of thermal expansion, and melting and boiling points. The EOS compares well with data in its intended range of validity, but the presence of high-frequency optical modes in its phonon spectrum limits the agreement of our models with thermal data. The next step is to construct a multiphase EOS that includes the low- and high-pressure solid phases and the liquid. The DAC data from Duclos will most strongly constrain the parameters of the high-pressure solid. A remaining issue is the comparison of the crystal-density EOS with experimental Hugoniot data, which are taken at much lower initial data because the samples are porous powders. A satisfactory means of modeling porosity, allowing comparison of theory and experiment, has not yet been produced.

  5. Reactions of excited-state benzophenone ketyl radical in a room-temperature ionic liquid.

    Science.gov (United States)

    Takahashi, Kenji; Tezuka, Hiroaki; Kitamura, Shingo; Satoh, Toshifumi; Katoh, Ryuzi

    2010-02-28

    The photochemistry of the benzophenone ketyl radical in D(1) excited state, BPH(D(1)), was studied by means of two-color dual-pulse laser flash photolysis (355 and 532 nm) in a room-temperature ionic liquid, 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide (Bmim-TFSA), and in methanol. Upon excitation with the 532 nm pulse, BPH(D(1)) emitted strong fluorescence. The transient absorption and fluorescence spectra of BPH(D(1)) were measured with nanosecond and sub-nanosecond time resolution, respectively. The observed Stokes shift was 1700 cm(-1) in Bmim-TFSA, and this shift was close to that in acetonitrile. The fluorescence lifetime of BPH(D(1)) was determined to be 5 ns in Bmim-TFSA, and again the value was close to that in acetonitrile. The rate constant of the reaction of BPH(D(1)) with CCl(4) in Bmim-TFSA was determined to be (2.1 +/- 0.4) x 10(9) M(-1) s(-1), which was 10 times the rate constant calculated on the basis of the bulk viscosity of Bmim-TFSA. The results are discussed in terms of the effective microscopic viscosity of the ionic liquid that was recently reported for the cage effect.

  6. Nano-sponge ionic liquid-polymer composite electrolytes for solid-state lithium power sources

    Energy Technology Data Exchange (ETDEWEB)

    Liao, Kang-Shyang; Andreoli, Enrico; Curran, Seamus A. [Department of Physics, University of Houston, Houston, TX 77004 (United States); Sutto, Thomas E. [Naval Research Labs-DC, Materials Science and Technology Division, Washington, DC 20375 (United States); Ajayan, Pulickel [Department of Materials Engineering, Rice University, Houston, TX 77005 (United States); McGrady, Karen A. [Marine Corps System Command, 50 Tech Parkway, Garrisonville, VA 22463 (United States)

    2010-02-01

    Solid polymer gel electrolytes composed of 75 wt.% of the ionic liquid, 1-n-butyl-2,3-dimethylimidazolium bis-trifluoromethanesulfonylimide with 1.0 M lithium bis-trifluoromethanesulfonylimide and 25 wt.% poly(vinylidenedifluoro-hexafluoropropene) are characterized as the electrolyte/separator in solid-state lithium batteries. The ionic conductivity of these gels ranges from 1.5 to 2.0 mS cm{sup -1}, which is several orders of magnitude more conductive than any of the more commonly used solid polymers, and comparable to the best solid gel electrolytes currently used in industry. TGA indicates that these polymer gel electrolytes are thermally stable to over 280 C, and do not begin to thermally decompose until over 300 C; exhibiting a significant advancement in the safety of lithium batteries. Atomic force microscopy images of these solid thin films indicate that these polymer gel electrolytes have the structure of nano-sponges, with a sub-micron pore size. For these thin film batteries, 150 charge-discharge cycles are run for Li{sub x}CoO{sub 2} where x is cycled between 0.95 down to 0.55. Minimal internal resistance effects are observed over the charging cycles, indicating the high ionic conductivity of the ionic liquid solid polymer gel electrolyte. The overall cell efficiency is approximately 98%, and no significant loss in battery efficiency is observed over the 150 cycles. (author)

  7. Thermophysical Properties of Manganin (Cu86Mn12Ni2) in the Solid and Liquid State

    Science.gov (United States)

    Schmon, A.; Aziz, K.; Luckabauer, M.; Pottlacher, G.

    2015-07-01

    Manganin is the trademark name of the alloy Cu86Mn12Ni2. Despite its frequent usage in manufacturing processes, literature data are scarce particularly at higher temperatures. This work presents a set of thermophysical data of this alloy in a temperature range above its classic area of application up to the end of its liquid phase. For investigating the alloy, four examination setups were employed. Using differential thermal analysis, solidus and liquidus temperatures were obtained. In the solid phase, the electrical resistivity as a function of temperature was determined by a four-point probe positioned in a furnace. Thermal expansion was measured with a high-resolution two-beam laser dilatometer based on Michelson-interferometry and thereby density was calculated. The liquid state was investigated using a s-ohmic-pulse-heating setup. Wire-shaped specimens were resistively volume heated as part of an electrical discharge circuit. Measured quantities were the current through the specimen, the voltage drop along the specimen, the surface radiance by a pyrometer, and the thermal expansion with an adapted CCD camera system. On the basis of these measurements, temperature-dependent thermophysical properties of enthalpy, isobaric heat capacity, electrical resistivity, and density are obtained. Additionally the thermal conductivity and thermal diffusivity are estimated in the high-temperature range applying the Wiedemann-Franz law.

  8. Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics.

    Science.gov (United States)

    Heyes, D M; Dini, D; Smith, E R

    2016-09-14

    System property fluctuations increasingly dominate a physical process as the sampling volume decreases. The purpose of this work is to explore how the fluctuation statistics of various thermodynamic properties depend on the sampling volume, using molecular dynamics (MD) simulations. First an examination of various expressions for calculating the bulk pressure of a bulk liquid is made, which includes a decomposition of the virial expression into two terms, one of which is the Method of Planes (MOP) applied to the faces of the cubic simulation cell. Then an analysis is made of the fluctuations of local density, temperature, pressure, and shear stress as a function of sampling volume (SV). Cubic and spherical shaped SVs were used within a spatially homogeneous LJ liquid at a state point along the melting curve. It is shown that the MD-generated probability distribution functions (PDFs) of all of these properties are to a good approximation Gaussian even for SV containing only a few molecules (∼10), with the variances being inversely proportional to the SV volume, Ω. For small subvolumes the shear stress PDF fits better to a Gaussian than the pressure PDF. A new stochastic sampling technique to implement the volume averaging definition of the pressure tensor is presented, which is employed for cubic, spherical, thin cubic, and spherical shell SV. This method is more efficient for less symmetric SV shapes.

  9. Suppression of surface plasmon resonance in Au nanoparticles upon transition to the liquid state.

    Science.gov (United States)

    Gerasimov, V S; Ershov, A E; Gavrilyuk, A P; Karpov, S V; Ågren, H; Polyutov, S P

    2016-11-14

    Significant suppression of resonant properties of single gold nanoparticles at the surface plasmon frequency during heating and subsequent transition to the liquid state has been demonstrated experimentally and explained for the first time. The results for plasmonic absorption of the nanoparticles have been analyzed by means of Mie theory using experimental values of the optical constants for the liquid and solid metal. The good qualitative agreement between calculated and experimental spectra support the idea that the process of melting is accompanied by an abrupt increase of the relaxation constants, which depends, beside electron-phonon coupling, on electron scattering at a rising number of lattice defects in a particle upon growth of its temperature, and subsequent melting as a major cause for the observed plasmonic suppression. It is emphasized that observed effect is fully reversible and may underlie nonlinear optical responses of nanocolloids and composite materials containing plasmonic nanoparticles and their aggregates in conditions of local heating and in general, manifest itself in a wide range of plasmonics phenomena associated with strong heating of nanoparticles.

  10. The spectra of molecular light scattering in high-viscosity glycerol-like liquids

    OpenAIRE

    Lishchuk, Sergey; Malomuzh, N. P.

    1996-01-01

    The mechanisms of formation of fine structures in the spectra of the polarized and depolarized components of molecular light scattering in high-viscosity liquids are studied. The temperature dependences of spectral parameters are examined. The results are treated in terms of the concept of a microheterogeneous structure of supercooled high-viscosity liquids.

  11. Positronium in a Liquid Phase: Formation, Bubble State and Chemical Reactions

    Directory of Open Access Journals (Sweden)

    Sergey V. Stepanov

    2012-01-01

    Full Text Available The present approach describes the e+ fate since its injection into a liquid until its annihilation. Several stages of the e+ evolution are discussed: (1 energy deposition and track structure of fast positrons: ionization slowing down, number of ion-electron pairs, typical sizes, thermalization, electrostatic interaction between e+ and the constituents of its blob, and effect of local heating; (2 positronium formation in condensed media: the Ore model, quasifree Ps state, intratrack mechanism of Ps formation; (3 fast intratrack diffusion-controlled reactions: Ps oxidation and ortho-paraconversion by radiolytic products, reaction rate constants, and interpretation of the PAL spectra in water at different temperatures; (4 Ps bubble models. Inner structure of positronium (wave function, energy contributions, relationship between the pick-off annihilation rate and the bubble radius.

  12. An Electrochromic Ionic Liquid: Design, Characterization, and Performance in a Solid-State Platform

    Science.gov (United States)

    2012-01-01

    This work describes the synthesis and characteristics of a novel electrochromic ionic liquid (IL) based on a phosphonium core tethered to a viologen moiety. When integrated into a solid-state electrochromic platform, the viologen modified IL behaved as both the electrolyte and the electrochromic material. Platform fabrication was achieved through in situ photo-polymerization and encapsulation of this novel IL within a hybrid sol–gel. Important parameters of the platform performance, including its coloration efficiency, switching kinetics, and optical properties were characterised using UV–vis spectroscopy and cyclic voltammetry in tandem. The electrochromic platform exhibits a coloration efficiency of 10.72 cm2 C–1 and a varied optical output as a function of the incident current. Despite the rather viscous nature of the material, the platform exhibited approximately 2 orders of magnitude faster switching kinetics (221 s to reach 95 % absorbance) when compared to previously reported electrochromic ILs (18 000 s). PMID:23206366

  13. Two-state model for nematic liquid crystals made of bent-core molecules

    Science.gov (United States)

    Madhusudana, N. V.

    2017-08-01

    Nematic (N ) liquid crystals made of bent-core molecules exhibit unusual physical properties such as an intermediate phase between the N and isotropic (I ) phases, a very weak N I transition as inferred from magnetic birefringence measurements in a low field, which is apparently incompatible with a large shift in the N I transition temperature (Tn i) measured under a high field. Using our conformational studies on the aromatic cores, we propose that only conformers which are more straightened than those in the ground state (GS) form clusters with a few layers, which persist even in the isotropic phase, as inferred from x-ray and rheological experiments. We present a Landau-de Gennes theory of the medium, including an orientational coupling between the clusters and the GS molecules, which accounts for all the unusual properties. The intermediate phase to isotropic transition is predicted to exhibit critical behavior at a very low magnetic field of <1 kG .

  14. High-Density Liquid-State Machine Circuitry for Time-Series Forecasting.

    Science.gov (United States)

    Rosselló, Josep L; Alomar, Miquel L; Morro, Antoni; Oliver, Antoni; Canals, Vincent

    2016-08-01

    Spiking neural networks (SNN) are the last neural network generation that try to mimic the real behavior of biological neurons. Although most research in this area is done through software applications, it is in hardware implementations in which the intrinsic parallelism of these computing systems are more efficiently exploited. Liquid state machines (LSM) have arisen as a strategic technique to implement recurrent designs of SNN with a simple learning methodology. In this work, we show a new low-cost methodology to implement high-density LSM by using Boolean gates. The proposed method is based on the use of probabilistic computing concepts to reduce hardware requirements, thus considerably increasing the neuron count per chip. The result is a highly functional system that is applied to high-speed time series forecasting.

  15. Early Thermal History of Rhea: The Role of Serpentinization and Liquid State Convection

    Science.gov (United States)

    Czechowski, Leszek; Łosiak, Anna

    2016-12-01

    Early thermal history of Rhea is investigated. The role of the following parameters of the model is investigated: time of beginning of accretion, tini, duration of accretion, tac, viscosity of ice close to the melting point, η0, activation energy in the formula for viscosity, E, thermal conductivity of silicate component, ksil, ammonia content, XNH3, and energy of serpentinization, cserp. We found that tini and tac are crucial for evolution. All other parameters are also important, but no dramatic differences are found for realistic values. The process of differentiation is also investigated. It is found that liquid state convection could delay the differentiation for hundreds of My. The results are confronted with observational data from Cassini spacecraft. It is possible that differentiation is fully completed but the density of formed core is close to the mean density. If this interpretation is correct, then Rhea could have accreted any time before 3-4 My after formation of CAI.

  16. Ion-selective supported liquid membranes placed under steady-state diffusion control.

    Science.gov (United States)

    Tompa, Károly; Birbaum, Karin; Malon, Adam; Vigassy, Tamás; Bakker, Eric; Pretsch, Ernö

    2005-12-01

    Supported liquid membranes are used here to establish steady-state concentration profiles across ion-selective membranes rapidly and reproducibly. This opens up new avenues in the area of nonequilibrium potentiometry, where reproducible accumulation and depletion processes at ion-selective membranes may be used to gain valuable analytical information about the sample. Until today, drifting signals originating from a slowly developing concentration profile across the ion-selective membrane made such approaches impractical in zero current potentiometry. Here, calcium- and silver-selective membranes were placed between two identical aqueous electrolyte solutions, and the open circuit potential was monitored upon changing the composition of one solution. Steady state was reached in approximately 1 min with 25-microm porous polypropylene membranes filled with bis(2-ethylhexyl) sebacate doped with ionophore and lipophilic ion exchanger. Ion transport across the membrane resulted on the basis of nonsymmetric ion-exchange processes at both membrane sides. The steady-state potential was calculated as the sum of the two membrane phase boundary potentials, and good correspondence to experiment was observed. Concentration polarizations in the contacting aqueous phases were confirmed with stirring experiments. It was found that interferences (barium in the case of calcium electrodes and potassium with silver electrodes) induce a larger potential change than expected with the Nicolsky equation because they influence the level of polarization of the primary ion (calcium or silver) that remains potential determining.

  17. Liquid state machine with dendritically enhanced readout for low-power, neuromorphic VLSI implementations.

    Science.gov (United States)

    Roy, Subhrajit; Banerjee, Amitava; Basu, Arindam

    2014-10-01

    In this paper, we describe a new neuro-inspired, hardware-friendly readout stage for the liquid state machine (LSM), a popular model for reservoir computing. Compared to the parallel perceptron architecture trained by the p-delta algorithm, which is the state of the art in terms of performance of readout stages, our readout architecture and learning algorithm can attain better performance with significantly less synaptic resources making it attractive for VLSI implementation. Inspired by the nonlinear properties of dendrites in biological neurons, our readout stage incorporates neurons having multiple dendrites with a lumped nonlinearity (two compartment model). The number of synaptic connections on each branch is significantly lower than the total number of connections from the liquid neurons and the learning algorithm tries to find the best 'combination' of input connections on each branch to reduce the error. Hence, the learning involves network rewiring (NRW) of the readout network similar to structural plasticity observed in its biological counterparts. We show that compared to a single perceptron using analog weights, this architecture for the readout can attain, even by using the same number of binary valued synapses, up to 3.3 times less error for a two-class spike train classification problem and 2.4 times less error for an input rate approximation task. Even with 60 times larger synapses, a group of 60 parallel perceptrons cannot attain the performance of the proposed dendritically enhanced readout. An additional advantage of this method for hardware implementations is that the 'choice' of connectivity can be easily implemented exploiting address event representation (AER) protocols commonly used in current neuromorphic systems where the connection matrix is stored in memory. Also, due to the use of binary synapses, our proposed method is more robust against statistical variations.

  18. Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory

    Science.gov (United States)

    Mrugalla, Florian; Kast, Stefan M.

    2016-09-01

    Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

  19. Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory.

    Science.gov (United States)

    Mrugalla, Florian; Kast, Stefan M

    2016-09-01

    Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

  20. Effect of drop size on the impact thermodynamics for supercooled large droplet in aircraft icing

    Science.gov (United States)

    Zhang, Chen; Liu, Hong

    2016-06-01

    Supercooled large droplet (SLD), which can cause abnormal icing, is a well-known issue in aerospace engineering. Although efforts have been exerted to understand large droplet impact dynamics and the supercooled feature in the film/substrate interface, respectively, the thermodynamic effect during the SLD impact process has not received sufficient attention. This work conducts experimental studies to determine the effects of drop size on the thermodynamics for supercooled large droplet impingement. Through phenomenological reproduction, the rapid-freezing characteristics are observed in diameters of 400, 800, and 1300 μm. The experimental analysis provides information on the maximum spreading rate and the shrinkage rate of the drop, the supercooled diffusive rate, and the freezing time. A physical explanation of this unsteady heat transfer process is proposed theoretically, which indicates that the drop size is a critical factor influencing the supercooled heat exchange and effective heat transfer duration between the film/substrate interface. On the basis of the present experimental data and theoretical analysis, an impinging heating model is developed and applied to typical SLD cases. The model behaves as anticipated, which underlines the wide applicability to SLD icing problems in related fields.

  1. Orientational order of liquids and glasses via fluctuation diffraction

    Directory of Open Access Journals (Sweden)

    Andrew V. Martin

    2017-01-01

    Full Text Available Liquids, glasses and other amorphous matter lack long-range order, which makes them notoriously difficult to study. Local atomic order is partially revealed by measuring the distribution of pairwise atomic distances, but this measurement is insensitive to orientational order and unable to provide a complete picture of diverse amorphous phenomena, such as supercooling and the glass transition. Fluctuation scattering with electrons and X-rays is able provide this orientational sensitivity, but it is difficult to obtain clear structural interpretations of fluctuation data. Here we show that the interpretation of fluctuation diffraction data can be simplified by converting it into a real-space angular distribution function. We calculate this function from simulated diffraction of amorphous nickel, generated with a classical molecular dynamics simulation of the quenching of a high temperature liquid state. We compare the results of the amorphous case to the initial liquid state and to the ideal f.c.c. lattice structure of nickel. We show that the extracted angular distributions are rich in information about orientational order and bond angles. The diffraction fluctuations are potentially measurable with electron sources and also with the brightest X-ray sources, like X-ray free-electron lasers.

  2. Effects of hydrogen-bond environment on single particle and pair dynamics in liquid water

    Indian Academy of Sciences (India)

    Amalendu Chandra; Snehasis Chowdhuri

    2001-10-01

    We have performed molecular dynamics simulations of liquid water at 298 and 258 K to investigate the effects of hydrogen-bond environment on various single-particle and pair dynamical properties of water molecules at ambient and supercooled conditions. The water molecules are modelled by the extended simple point charge (SPC/E) model. We first calculate the distribution of hydrogen-bond environment in liquid water at both temperatures and then investigate how the selfdiffusion and orientational relaxation of a single water molecule and also the relative diffusion and relaxation of the hydrogen-bond of a water pair depend on the nature of the hydrogen-bond environment of the tagged molecules. We find that the various dynamical quantities depend significantly on the hydrogen-bond environment, especially at the supercooled temperature. The present study provides a molecular-level insight into the dynamics of liquid water under ambient and supercooled conditions.

  3. Optical spectroscopy shows that the normal state of URu2Si2 is an anomalous Fermi liquid.

    Science.gov (United States)

    Nagel, Urmas; Uleksin, Taaniel; Rõõm, Toomas; Lobo, Ricardo P S M; Lejay, Pascal; Homes, Christopher C; Hall, Jesse S; Kinross, Alison W; Purdy, Sarah K; Munsie, Tim; Williams, Travis J; Luke, Graeme M; Timusk, Thomas

    2012-11-20

    Fermi showed that, as a result of their quantum nature, electrons form a gas of particles whose temperature and density follow the so-called Fermi distribution. As shown by Landau, in a metal the electrons continue to act like free quantum mechanical particles with enhanced masses, despite their strong Coulomb interaction with each other and the positive background ions. This state of matter, the Landau-Fermi liquid, is recognized experimentally by an electrical resistivity that is proportional to the square of the absolute temperature plus a term proportional to the square of the frequency of the applied field. Calculations show that, if electron-electron scattering dominates the resistivity in a Landau-Fermi liquid, the ratio of the two terms, b, has the universal value of b = 4. We find that in the normal state of the heavy Fermion metal URu(2)Si(2), instead of the Fermi liquid value of 4, the coefficient b = 1 ± 0.1. This unexpected result implies that the electrons in this material are experiencing a unique scattering process. This scattering is intrinsic and we suggest that the uranium f electrons do not hybridize to form a coherent Fermi liquid but instead act like a dense array of elastic impurities, interacting incoherently with the charge carriers. This behavior is not restricted to URu(2)Si(2). Fermi liquid-like states with b ≠ 4 have been observed in a number of disparate systems, but the significance of this result has not been recognized.

  4. Structural properties of Y2O3–Al2O3 liquids and glasses: An overview

    Energy Technology Data Exchange (ETDEWEB)

    Wilding, Martin C.; Wilson, Mark; McMillan, Paul F.; Benmore, Chris J.; Weber, J. K. R.; Deschamps, Thierry; Champagnon, Bernard

    2015-01-01

    Liquids in the system Y2O3–Al2O3 have been the subject of considerable study because of the reported occurrence of a first-order density and entropy-driven liquid-liquid phase transition (LLPT) in the supercooled liquid state. The observations have become controversial because of the presence of crystalline material that can be formed simultaneously and that can mask the nucleation and growth of the lower density liquid. The previous work is summarized here along with arguments for and against the different viewpoints. Also two studies have been undertaken to investigate the LLPT in this refractory system with emphasis on determining the structure of unequivocally amorphous materials. These include the in situ high energy X-ray diffraction (HEXRD) of supercooled Y2O3–Al2O3 liquids and the low frequency vibrational dynamics of recovered glasses. Manybody molecular dynamics simulations are also used to interpret the results of both studies. The HEXRD measurements, combined with aerodynamic levitation and rapid data acquisition techniques, show that for the 20 mol% Y2O3 (i.e. AlY20) liquid there is a shift in the position of the first peak in the diffraction pattern over a narrow temperature range (2100-1800 K) prior to crystallization. Microbeam Raman spectroscopy measurements made on AlY20 glasses clearly show contrasting spectra in the low frequency part of the spectrum for low(LDA) and high-density (HDA) glassy regions. The molecular dynamics simulations identify contrasting coordination environments around oxygen anions for the high- (HDL) and low-density (LDL) liquids. (C) 2014 Elsevier B.V. All rights reserved.

  5. Thermal conductivity enhancement of sodium acetate trihydrate by adding graphite powder and the effect on stability of supercooling

    DEFF Research Database (Denmark)

    Johansen, Jakob Berg; Dannemand, Mark; Kong, Weiqiang

    2015-01-01

    Sodium acetate trihydrate and graphite powder mixtures have been evaluated to investigate the influence of the graphite powder on the stability of supercooling. A sodium acetate and water mixture mixed with graphite powder was successfully supercooled at ambient indoor temperatures for five month...

  6. An investigation on supercooling directional solidification process of Cu-Ni single phase alloy

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Supercooling directional solidification (SDS) is put forward by combination of melt supercooling and conventional solidification by application of supercooling inheritance. On the self-designed SDS equipment, SDS of Cu-Ni alloy was achieved successfully. The results are as follows: (ⅰ) The primary arm spacing is about 30 m m, the growth of secondary arms are strongly suppressed. The primary arm spacing is nearly the same as LMC method (GL=25 K/mm, V=500 m m/s), the primary stems are straight, fine and completed, with an inclination angle of about 5.8o. (ⅱ) A semi-quantitative T-T model is brought forward to describe the dendrite growth rate V vs. undercooling D T. The prediction of T-T model agrees well with experimental results. The formation of fine equiaxed dendrites, transition region and dendrite region can be explained successfully by D T-V-x relation of T-T model.

  7. Development of seasonal heat storage based on stable supercooling of a sodium acetate water mixture

    DEFF Research Database (Denmark)

    Furbo, Simon; Fan, Jianhua; Andersen, Elsa

    2012-01-01

    A number of heat storage modules for seasonal heat storages based on stable supercooling of a sodium acetate water mixture have been tested by means of experiments in a heat storage test facility. The modules had different volumes and designs. Further, different methods were used to transfer heat....... • The reliability of the supercooling was elucidated for the heat storage modules for different operation conditions. • The reliability of a cooling method used to start solidification of the supercooled sodium acetate water mixture was elucidated. The method is making use of boiling CO2 in a small tank in good...... to and from the sodium acetate water mixture in the modules. By means of the experiments: • The heat exchange capacity rates to and from the sodium acetate water mixture in the heat storage modules were determined for different volume flow rates. • The heat content of the heat storage modules were determined...

  8. Liquid-based cytology test use by office-based physicians: United States, 2006-2007.

    Science.gov (United States)

    Hing, Esther; Saraiya, Mona; Roland, Katherine B

    2011-06-01

    In the United States, liquid-based cytology (LBC) has become a common screening method for cervical cancer. However, the extent of LBC use, and how it varies by patient and practice characteristics, is unknown. This report describes the ordering and provision of Papanicolaou (Pap) tests, with a major focus on the extent to which LBC has supplanted conventional cytology. The type of Pap test is examined for visits made to primary care physicians in 2006-2007 by females aged 15-64. Estimates of Pap test cytology use (both LBC and conventional) are based on combined data from the 2006-2007 National Ambulatory Medical Care Survey (NAMCS), an annual nationally representative survey of visits to nonfederal office-based physicians in the United States, as well as on information reported by sample physicians in Cervical Cancer Screening Supplements fielded as part of NAMCS during the same years. In 2006-2007, LBC was used in approximately 75% of Pap tests for which the type of cytology was known. LBC was less likely to be used for Medicare patients than for privately insured patients, although LBC use did not vary significantly according to the other patient or practice characteristics examined. The high percentage of LBC use by office-based physicians in 2006-2007 confirms the widespread use of this screening method among primary care providers, as has been reported in the literature.

  9. Steady-state molecular dynamics simulation of vapour to liquid nucleation with McDonald's daemon

    CERN Document Server

    Horsch, Martin; Vrabec, Jadran

    2009-01-01

    The most interesting step of condensation is the cluster formation up to the critical size. In a closed system, this is an instationary process, as the vapour is depleted by the emerging liquid phase. This imposes a limitation on direct molecular dynamics (MD) simulation of nucleation by affecting the properties of the vapour to a significant extent so that the nucleation rate varies over simulation time. Grand canonical MD with McDonald's daemon is discussed in the present contribution and applied for sampling both nucleation kinetics and steady-state properties of a supersaturated vapour. The idea behind that approach is to simulate the production of clusters up to a given size for a specified supersaturation. In that way, nucleation is studied by a steady-state simulation. A series of simulations is conducted for the truncated and shifted Lennard-Jones fluid which accurately describes the fluid phase coexistence of noble gases and methane. The classical nucleation theory is found to overestimate the free e...

  10. Anomalous temperature dependence of liquid state density for Ni50Ti50 alloy investigated under electrostatic levitation state

    Science.gov (United States)

    Zou, P. F.; Wang, H. P.; Yang, S. J.; Hu, L.; Wei, B.

    2017-08-01

    The density of liquid Ni-Ti alloys were measured by electrostatic levitation technique and the maximum reduced undercooling of ΔT/TL reaches 0.23. Quite different from the linear relationship between density and temperature for liquid Ni45Ti55 and Ni55Ti45 alloys, the density of liquid Ni50Ti50 alloy displays a nonlinear dependence on temperature. Interestingly, the density increasing tendency of liquid Ni50Ti50 alloy rises more rapidly with the decrease of temperature, which results from the more severe shrinking of the distance among atoms at lower temperatures. In addition, the thermal expansion coefficient of liquid Ni50Ti50 alloy increases linearly with the decrease of temperature.

  11. Physical properties of lead free solders in liquid and solid state

    Energy Technology Data Exchange (ETDEWEB)

    Mhiaoui, Souad

    2007-04-17

    The European legislation prohibits the use of lead containing solders in Europe. However, lead free solders have a higher melting point (typical 20%) and their mechanical characteristics are worse. Additional problems are aging and adhesion of the solder on the electronic circuits. Thus, research activities must focus on the optimization of the properties of Sn-Ag-Cu based lead free solders chosen by the industry. Two main objectives are treated in this work. In the center of the first one is the study of curious hysteresis effects of metallic cadmium-antimony alloys after thermal cycles by measuring electronic transport phenomena (thermoelectric power and electrical resistivity). The second objective, within the framework of ''cotutelle'' between the universities of Metz and of Chemnitz and supported by COST531, is to study more specifically lead free solders. A welding must well conduct electricity and well conduct and dissipate heat. In Metz, we determined the electrical conductivity, the thermoelectric power and the thermal conductivity of various lead free solders (Sn-Ag-Cu, Sn-Cu, Sn-Ag, Sn-Sb) as well in the liquid as well in the solid state. The results have been compared to classical lead-tin (Pb-Sn) solders. In Chemnitz we measured the surface tension, the interfacial tension and the density of lead free solders. We also measured the viscosity of these solders without and with additives, in particular nickel. These properties were related to the industrial problems of wettability and spreadability. Lastly, we solidified alloys under various conditions. We observed undercooling. We developed a technique of mixture of nanocrystalline powder with lead free solders ''to sow'' the liquid bath in order to obtain ''different'' solids which were examined using optical and electron microscopy. (orig.)

  12. From Spin Glass to Spin Liquid Ground States in Pyrochlore Molybdates

    Science.gov (United States)

    Clark, Lucy

    Magnetic pyrochlores continue to generate intense interest due to the wealth of interesting behaviours that they can display as a result of their highly frustrated nature. Here we will present our study of the molybdate pyrochlore Lu2Mo2O7, which contains non-magnetic Lu3+ and an antiferromagnetic network of corner-sharing tetrahedra of Mo4+ 4d2 S = 1 ions. Magnetic susceptibility data show that Lu2Mo2O7 enters an unconventional spin glass state at Tf ~ 16 K that displays a quadratic dependence of the low temperature magnetic heat capacity, akin to that observed for its well-studied sister compound Y2Mo2O7. This spin glass transition is also clearly marked in our inelastic (CNCS, SNS) and diffuse elastic magnetic (D7, ILL) neutron scattering data. Furthermore, we will show that it is possible to topochemically substitute the oxide, O2-, ions within Lu2Mo2O7 for nitride, N3-, to produce an oxynitride molybdate pyrochlore of composition Lu2Mo2O5N2. Magnetic susceptibility measurements confirm that strong antiferromagnetic correlations persist within the oxynitride, which contains Mo5+ 4d1 S =1/2 ions and is thus a prime candidate to host exotic quantum spin liquid behavior. We will discuss how the enhanced quantum spin fluctuations in Lu2Mo2O5N2 appear to suppress the spin freezing transition observed in its parent oxide and instead support the formation of a gapless spin liquid phase that displays a linear dependence of the low temperature magnetic heat capacity.

  13. Long term thermal energy storage with stable supercooled sodium acetate trihydrate

    DEFF Research Database (Denmark)

    Dannemand, Mark; Schultz, Jørgen M.; Johansen, Jakob Berg

    2015-01-01

    Utilizing stable supercooling of sodium acetate trihydrate makes it possible to store thermal energy partly loss free. This principle makes seasonal heat storage in compact systems possible. To keep high and stable energy content and cycling stability phase separation of the storage material must...... to 230 kJ/kg. TRNSYS simulations of a solar combi system including a storage with four heat storage modules of each 200 kg of sodium acetate trihydrate utilizing stable supercooling achieved a solar fraction of 80% for a low energy house in Danish climatic conditions....

  14. State conditions transferability of vapor-liquid equilibria via fluctuation solution theory with correlation function integrals from molecular dynamics simulations

    DEFF Research Database (Denmark)

    Christensen, Steen; Peters, Günther H.J.; Hansen, Flemming Yssing

    2007-01-01

    The ‘State Conditions Transferability’ category of IFPSC 2006 tests prediction of binary vapor–liquid isotherms for mixtures of ethanol and the refrigerant HFF-227ea (1,1,1,2,3,3,3-heptafluoropropane). We predict these isotherms using fluctuation solution theory (FST). The method is based...

  15. Externally applied electric fields up to 1.6 × 10(5) V/m do not affect the homogeneous nucleation of ice in supercooled water.

    Science.gov (United States)

    Stan, Claudiu A; Tang, Sindy K Y; Bishop, Kyle J M; Whitesides, George M

    2011-02-10

    The freezing of water can initiate at electrically conducting electrodes kept at a high electric potential or at charged electrically insulating surfaces. The microscopic mechanisms of these phenomena are unknown, but they must involve interactions between water molecules and electric fields. This paper investigates the effect of uniform electric fields on the homogeneous nucleation of ice in supercooled water. Electric fields were applied across drops of water immersed in a perfluorinated liquid using a parallel-plate capacitor; the drops traveled in a microchannel and were supercooled until they froze due to the homogeneous nucleation of ice. The distribution of freezing temperatures of drops depended on the rate of nucleation of ice, and the sensitivity of measurements allowed detection of changes by a factor of 1.5 in the rate of nucleation. Sinusoidal alternation of the electric field at frequencies from 3 to 100 kHz prevented free ions present in water from screening the electric field in the bulk of drops. Uniform electric fields in water with amplitudes up to (1.6 ± 0.4) × 10(5) V/m neither enhanced nor suppressed the homogeneous nucleation of ice. Estimations based on thermodynamic models suggest that fields in the range of 10(7)-10(8) V/m might cause an observable increase in the rate of nucleation.

  16. Study on hydrogen isotopes permeation in fluidized state of liquid lithium-lead

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimura, S.; Yoshimura, R.; Okada, M.; Fukada, S.; Edao, Y. [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, Kasuga-shi, Fukuoka (Japan)

    2015-03-15

    Lithium-lead (Li-Pb) is one of the most promising candidate materials for the liquid blanket of fusion reactors. Hydrogen transfer under a fluidized condition of Li-Pb is investigated experimentally to design a Li-Pb blanket system. Li-Pb eutectic alloy flows inside a Ni tube in the experimental system, where H{sub 2} permeates into and out of the forced Li-Pb flow. The overall H{sub 2} permeation rate is analyzed using a mass balance model. Hydrogen atoms diffuse in Ni and Li-Pb. The steady-state H{sub 2} permeation rate obtained by this experiment is smaller than the result of the calculation model. A resistance factor is introduced to the present analysis in order to evaluate the influence of other H{sub 2} transfer mechanisms, such as diffusion in Li-Pb and dissolution reaction between Ni and Li-Pb. The contribution of the resistance to the overall H{sub 2} permeation rate becomes large when the flow rate of Li-Pb is low. This is because the boundary layer thickness between Ni and Li-Pb affects the overall H{sub 2} permeation rate. When the flow velocity of Li-Pb increases, the thickness of the boundary layer becomes thin, and the driving force of H{sub 2} permeation through the Ni wall becomes bigger. (authors)

  17. Nutrient Recovery of Starch Processing Waste to Cordyceps militaris: Solid State Cultivation and Submerged Liquid Cultivation.

    Science.gov (United States)

    Lee, Joonyeob; Cho, Kyungjin; Shin, Seung Gu; Bae, Hyokwan; Koo, Taewoan; Han, Gyuseong; Hwang, Seokhwan

    2016-09-01

    This study demonstrated the potential for managing starch processing waste (SPW) by bioconversion to Cordyceps militaris mycelia using solid state cultivation (SSC) and submerged liquid cultivation (SLC). The growth characteristics of C. militaris mycelium were accessed and compared for SSC and SLC systems on SPW under various conditions of initial SPW concentration, pH, and operating temperature. To quantify the mycelial biomass in SLC, original primer sets targeting the 18S rRNA gene of C. militaris were developed. In SSC, a maximum mycelial growth rate (543.1 mm(2)/day) was predicted to occur at 25.6 g SPW/L, pH 5.5, and 23.8 °C. In SLC, a maximum mycelial growth rate (1918.6 mg/L/day) was predicted to occur at 35.5 g SPW/L, pH 5.5, and 22.0 °C. Temperature was suggested as the most significant factor in both systems. The higher optimum substrate concentration observed for SLC than for SSC was likely due to difference in mycelial morphology and mixing effect.

  18. Correlation of the vapor pressure isotope effect with molecular force fields in the liquid state

    Energy Technology Data Exchange (ETDEWEB)

    Pollin, J.S.; Ishida, T.

    1976-07-01

    The present work is concerned with the development and application of a new model for condensed phase interactions with which the vapor pressure isotope effect (vpie) may be related to molecular forces and structure. The model considers the condensed phase as being represented by a cluster of regularly arranged molecules consisting of a central molecule and a variable number of molecules in the first coordination shell. The methods of normal coordinate analysis are used to determine the modes of vibration of the condensed phase cluster from which, in turn, the isotopic reduced partition function can be calculated. Using the medium cluster model, the observed vpie for a series of methane isotopes has been successfully reproduced with better agreement with experiment than has been possible using the simple cell model. We conclude, however, that insofar as the medium cluster model provides a reasonable picture of the liquid state, the vpie is not sufficiently sensitive to molecular orientation to permit an experimental determination of intermolecular configuration in the condensed phase through measurement of isotopic pressure ratios. The virtual independence of vapor pressure isotope effects on molecular orientation at large cluster sizes is a demonstration of the general acceptability of the cell model assumptions for vpie calculations.

  19. Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Eric Scott [Univ. of California, Berkeley, CA (United States)

    1992-08-01

    A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin`s resonant energy transfer hopping mechanism.

  20. Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, E.S.

    1992-08-01

    A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin's resonant energy transfer hopping mechanism.

  1. Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids

    Science.gov (United States)

    Abedinpour, Saeed H.; Asgari, Reza; Tanatar, B.; Polini, Marco

    2014-01-01

    We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the Euler-Lagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrödinger equation for the "pair amplitude" g(r), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from Jastrow-Feenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the Hartree-Fock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuation-dissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical density-density response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings.

  2. Non-Fermi-liquid and topological states with strong spin-orbit coupling.

    Science.gov (United States)

    Moon, Eun-Gook; Xu, Cenke; Kim, Yong Baek; Balents, Leon

    2013-11-15

    We argue that a class of strongly spin-orbit-coupled materials, including some pyrochlore iridates and the inverted band gap semiconductor HgTe, may be described by a minimal model consisting of the Luttinger Hamiltonian supplemented by Coulomb interactions, a problem studied by Abrikosov and collaborators. It contains twofold degenerate conduction and valence bands touching quadratically at the zone center. Using modern renormalization group methods, we update and extend Abrikosov's classic work and show that interactions induce a quantum critical non-Fermi-liquid phase, stable provided time-reversal and cubic symmetries are maintained. We determine the universal power-law exponents describing various observables in this Luttinger-Abrikosov-Beneslavskii state, which include conductivity, specific heat, nonlinear susceptibility, and the magnetic Gruneisen number. Furthermore, we determine the phase diagram in the presence of cubic and/or time-reversal symmetry breaking perturbations, which includes a topological insulator and Weyl semimetal phases. Many of these phases possess an extraordinarily large anomalous Hall effect, with the Hall conductivity scaling sublinearly with magnetization σ(xy)∼M0.51.

  3. Extraction of coal with solvents in liquid and supercritical state under nonhydrogenating and hydrogenating conditions

    Science.gov (United States)

    Wilhelm, A.; Hedden, K.

    1982-10-01

    The basic steps of coal extraction to determine the optimum conditions for obtaining a higher coal conversion yield in a technical process of supercritical coal extraction were examined. A fixed bed of coal was slowly heated up in a current of pressurized solvent by a nonisothermal technique. The solvent changes its physical state during extraction from a liquid to a supercritical fluid. The formation rates of extract and gaseous products and their integral yields were measured under different extraction conditions. Various coals and lignites as well as different solvents including H-donor solvents and the effect of the addition of molecular hydrogen to the supercritical phase with and without catalyst were studied. Results are interpreted with an extraction scheme, comprising chemical reactions, phase equilibria and transport processes as single steps of the complex extraction procedure. Using a simplified mathematical model, the formation rates of extract as a function of temperature were quantitatively described with effective kinetic parameters. New process for the hydrogenating supercritical extraction of coal, which produces high coal conversion yields is proposed.

  4. Dielectric relaxation and the conformer equilibrium in the liquid and glassy states of β- D-fructose

    Science.gov (United States)

    Tombari, E.; Cardelli, C.; Salvetti, G.; Johari, G. P.

    2001-01-01

    To investigate the ionic and molecular dynamics in the liquid and glassy states of β- D-fructose, its dielectric relaxation spectra (12 Hz-500 kHz) and dynamic heat capacity (3.33 mHz) have been measured from 5 K above its melting point through the vitrification range, by allowing sufficient time for attainment of the conformer (or chemical) equilibria. Effects of the change in the conformer population on thermal cycling has been further studied. The dielectric behavior of liquid β- D-fructose is characteristically different from that of other molecular liquids in three ways: (i) the contribution to orientation polarization associated with the fast relaxation process, which persists in the glassy state, is relatively high in the liquid state of β- D-fructose; (ii) this contribution decreases with temperature exceptionally rapidly on cooling; and (iii) the difference in the rates of the two process is exceptionally large. The dynamic heat capacity change through the vitrification region is ˜160 J/(mol K), and is spread over ˜20 K range, and the enthalpy relaxation time is ˜50 s at 383 K. Transformation of β-pyranose to other conformers and other conformer transformation equilibria change on thermal cycling with the result that the overall relaxation rate increases at T>315 K and decreases at T<315 K. The relaxation spectrum becomes broader, the dc conductivity increases and the rate of the Johari-Goldstein relaxation whose Arrhenius energy is 42.1 kJ/mol increases.

  5. Advancing the State-of-the-Practice for Liquid Rocket Engine Injector Design

    Science.gov (United States)

    Tucker, P. K.; Kenny, R. J.; Richardson, B. R.; Anderso, W. E.; Austin, B. J.; Schumaker, S. A.; Muss, J. A.

    2015-01-01

    Current shortcomings in both the overall injector design process and its underlying combustion stability assessment methodology are rooted in the use of empirically based or low fidelity representations of complex physical phenomena and geometry details that have first order effects on performance, thermal environments and combustion stability. The result is a design and analysis capability that is often inadequate to reliably arrive at a suitable injector design in an efficient manner. Specifically, combustion instability has been particularly difficult to predict and mitigate. Large hydrocarbon-fueled booster engines have been especially problematic in this regard. Where combustion instability has been a problem, costly and time-consuming redesign efforts have often been an unfortunate consequence. This paper presents an overview of a recently completed effort at NASA Marshall Space Flight Center to advance the state-of-the-practice for liquid rocket engine injector design. Multiple perturbations of a gas-centered swirl coaxial (GCSC) element that burned gaseous oxygen and RP-1 were designed, assessed for combustion stability, and tested. Three designs, one stable, one marginally unstable and one unstable, were used to demonstrate both an enhanced overall injector design process and an improved combustion stability assessment process. High-fidelity results from state-of-the-art computational fluid dynamics CFD simulations were used to substantially augment and improve the injector design methodology. The CFD results were used to inform and guide the overall injector design process. They were also used to upgrade selected empirical or low-dimensional quantities in the ROCket Combustor Interactive Design (ROCCID) stability assessment tool. Hot fire single element injector testing was used to verify both the overall injector designs and the stability assessments. Testing was conducted at the Air Force Research Laboratory and at Purdue University. Companion papers

  6. Liquid-liquid phase separation in solutions of ionic liquids: phase diagrams, corresponding state analysis and comparison with simulations of the primitive model

    Energy Technology Data Exchange (ETDEWEB)

    Schroeer, W; Vale, V R, E-mail: schroer@uni-bremen.d [Institut fuer Anorganische und Physikalische Chemie, Fachbereich Biologie-Chemie, Universitaet Bremen, D-28359 Bremen (Germany)

    2009-10-21

    Phase diagrams of ionic solutions of the ionic liquid C{sub 18}mim{sup +}NTF{sub 2}{sup -} (1-n-octadecyl-3-methyl imidazolium bistrifluormethylsulfonylimide) in decalin, cyclohexane and methylcyclohexane are reported and compared with that of solutions of other imidazolium ionic liquids with the anions NTF{sub 2}{sup -}, Cl{sup -} and BF4{sup -} in arenes, CCl{sub 4}, alcohols and water. The phase diagrams are analysed presuming Ising criticality and taking into account the asymmetry of the phase diagrams. The resulting parameters are compared with simulation results for equal-sized charged hard spheres in a dielectric continuum, the restricted primitive model (RPM) and the primitive model (PM) that allows for ions of different size. In the RPM temperature scale the critical temperatures vary almost linearly with the dielectric permittivity of the solvent. The RPM critical temperatures of the solutions in non-polar solvents are very similar, somewhat below the RPM value. Correlations with the boiling temperatures of the solvents and a dependence on the length of the side chain of the imidazolium cations show that dispersion interactions modify the phase transition, which is mainly determined by Coulomb forces. Critical concentrations, widths of the phase diagrams and the slopes of the diameter are different for the solutions in protic and aprotic solvents. The phase diagrams of the solutions in alcohols and water get a lower critical solution point when represented in RPM variables.

  7. Liquid-liquid phase separation in solutions of ionic liquids: phase diagrams, corresponding state analysis and comparison with simulations of the primitive model.

    Science.gov (United States)

    Schröer, W; Vale, V R

    2009-10-21

    Phase diagrams of ionic solutions of the ionic liquid C(18)mim(+)NTF(2)(-) (1-n-octadecyl-3-methyl imidazolium bistrifluormethylsulfonylimide) in decalin, cyclohexane and methylcyclohexane are reported and compared with that of solutions of other imidazolium ionic liquids with the anions NTF(2)(-), Cl(-) and BF4(-) in arenes, CCl(4), alcohols and water. The phase diagrams are analysed presuming Ising criticality and taking into account the asymmetry of the phase diagrams. The resulting parameters are compared with simulation results for equal-sized charged hard spheres in a dielectric continuum, the restricted primitive model (RPM) and the primitive model (PM) that allows for ions of different size. In the RPM temperature scale the critical temperatures vary almost linearly with the dielectric permittivity of the solvent. The RPM critical temperatures of the solutions in non-polar solvents are very similar, somewhat below the RPM value. Correlations with the boiling temperatures of the solvents and a dependence on the length of the side chain of the imidazolium cations show that dispersion interactions modify the phase transition, which is mainly determined by Coulomb forces. Critical concentrations, widths of the phase diagrams and the slopes of the diameter are different for the solutions in protic and aprotic solvents. The phase diagrams of the solutions in alcohols and water get a lower critical solution point when represented in RPM variables.

  8. The Richard T. Cox Lecture: Liquid State as an Occasional Result of Competing Interactions

    Science.gov (United States)

    Voronel, Alexander

    2006-03-01

    liquids (including mixtures) in the vicinities of the singular points by the universal functions of reduced coordinates [5]. But the very existence of the critical point (and the liquid state itself) is in fact not an universal property of matter [6]. The freezing is depen-dent on a symmetry of packing and on a form of a potential well. It means the lower limit of the liquid state cannot be universal. However, if the freezing is somehow avoided the metastable critical point may be achieved instead [7]. And the universal features of the critical phenomena may be observed there again. Literature: [1] A. Voronel, M. Gitterman, Zh. Exp. Teor. Fiz. 39, 1162 (1960). M.Bagatsky, A.Voronel, V.Gusak., Zh. Exp. Teor. Fiz. 43, 728 (1962). See also a review: A. Voronel ``Thermal measurements and Critical Phenomena in Liquids.'' in PHASE TRANSITIONS AND CRITICAL PHENOMENA, vol. 5B, ed. by C.DOMB & M.S.GREEN, 1976, Academic Press, London, New York, San Francisco. [2] M.J.Buckingham, W.M.Fairbank in 111,60, ``PROGRESS IN LOW TEMPERATURE PHYSICS''(ed. by C.J.Gorter) North-Holland Pub.Co., Amsterdam, 1961. [3] M.E.Fisher,''The Nature of Critical Points'', University of Colorado Press, Boulder, 1965; [4] A.Patashinsky,V.Pokrovsky, Sov.Phys.JETP,23,292,(1966); L.P.Kadanov, Physics, 2,263, (1966) [5] M.E.Fisher, Phys.Rev.,176, 257, (1968); M.A.Anisimov, A.V.Voronel, E.E.Gorodetsky, Zh.Exp.Teor.Fiz.,60,1117, (1971) [6] H.J.Hagen,D.Frenkel,H.Lekkerkerker, Nature, 365, 425, (1993); D.Frenkel, Physica, A 263, 26, (1999). G.Vliegenthardt, H.Lekkerkerker, Physica, A 263, 378, (1999). [7] O.Mishima,H.E.Stanley, Nature, 392, 164, (1998).

  9. Single-Ion Block Copoly(ionic liquid)s as Electrolytes for All-Solid State Lithium Batteries.

    Science.gov (United States)

    Porcarelli, Luca; Shaplov, Alexander S; Salsamendi, Maitane; Nair, Jijeesh R; Vygodskii, Yakov S; Mecerreyes, David; Gerbaldi, Claudio

    2016-04-27

    Polymer electrolytes have been proposed as replacement for conventional liquid electrolytes in lithium-ion batteries (LIBs) due to their intrinsic enhanced safety. Nevertheless, the power delivery of these materials is limited by the concentration gradient of the lithium salt. Single-ion conducting polyelectrolytes represent the ideal solution since their nature prevents polarization phenomena. Herein, the preparation of a new family of single-ion conducting block copolymer polyelectrolytes via reversible addition-fragmentation chain transfer polymerization technique is reported. These copolymers comprise poly(lithium 1-[3-(methacryloyloxy)propylsulfonyl]-1-(trifluoromethylsulfonyl)imide) and poly(ethylene glycol) methyl ether methacrylate blocks. The obtained polyelectrolytes show low Tg values in the range of -61 to 0.6 °C, comparatively high ionic conductivity (up to 2.3 × 10(-6) and 1.2 × 10(-5) S cm(-1) at 25 and 55 °C, respectively), wide electrochemical stability (up to 4.5 V versus Li(+)/Li), and a lithium-ion transference number close to unity (0.83). Owing to the combination of all mentioned properties, the prepared polymer materials were used as solid polyelectrolytes and as binders in the elaboration of lithium-metal battery prototypes with high charge/discharge efficiency and excellent specific capacity (up to 130 mAh g(-1)) at C/15 rate.

  10. State-of-the-art review of liquid loading in gas wells

    Energy Technology Data Exchange (ETDEWEB)

    Falcone, G. [Technische Univ. Clausthal, Clausthal-Zellerfeld (Germany). ITE; Barbosa, J.R. Jr. [Universidade Federal de Santa Catarina, Florianopolis, SC (Brazil). Dept. of Mechanical Engineering

    2013-08-01

    Gas wells suffering from liquid loading are incapable of removing the liquid associated with produced gas from the wellbore. This phenomenon is initiated when the upward gas velocity in the well falls below a critical value at which point the liquid that was initially flowing upwards, begins to fall back. This liquid accumulates downhole, where it increases the hydrostatic back-pressure on the reservoir, destabilises the multiphase flow in the well (following flow regime changes), decreases production rate and, in severe cases, kills the well. The typical liquid loading sequence begins with a gas flow rate that is high enough to transport all liquids to surface and there is no liquid fall-back in the well. However, as the gas velocity slows or the liquid content in the well rises, there is insufficient energy in the well to carry all liquids to surface and some begins to flow backwards. As the hydrostatic head downhole increases, the liquid column that has accumulated in the well can re-enter the near-wellbore region of the reservoir. This results in the well becoming 'unloaded' so that it can flow once more, with the gas carrying all liquids to surface. However, the reinjection of liquids into the reservoir may cause formation damage, which will impair the well productivity. This cycle continues, providing the typical intermittent response of liquid-loaded gas wells, until the reservoir potential starts to fall or the liquid yield rises. Diagnosing liquid loading is often difficult as the affected well(s) may continue production without any substantial performance impairment for a long period of time. Typical symptoms of liquid loading include sharp drops in the cumulative production decline curve, the onset of liquid slugs in the surface facilities, abrupt changes in the flowing pressure gradient, low temperature spikes at the wellhead and declining water production or condensate-gas-ratio. Many remedial lifting options have been developed for use in

  11. Radiative consequences of low-temperature infrared refractive indices for supercooled water clouds

    Directory of Open Access Journals (Sweden)

    P. M. Rowe

    2013-07-01

    Full Text Available Simulations of cloud radiative properties for climate modeling and remote sensing rely on accurate knowledge of the complex refractive index (CRI of water. Although conventional algorithms employ a temperature independent assumption (TIA, recent infrared measurements of supercooled water have demonstrated that the CRI becomes increasingly ice-like at lower temperatures. Here, we assess biases that result from ignoring this temperature dependence. We show that TIA-based cloud retrievals introduce spurious ice into pure, supercooled clouds, or underestimate cloud thickness and droplet size. TIA-based downwelling radiative fluxes are lower than those for the temperature-dependent CRI by as much as 1.7 W m−2 (in cold regions, while top-of-atmosphere fluxes are higher by as much as 3.4 W m−2 (in warm regions. Proper accounting of the temperature dependence of the CRI, therefore, leads to significantly greater local greenhouse warming due to supercooled clouds than previously predicted. The current experimental uncertainty in the CRI at low temperatures must be reduced to properly account for supercooled clouds in both climate models and cloud property retrievals.

  12. Radiative consequences of low-temperature infrared refractive indices for supercooled water clouds

    Directory of Open Access Journals (Sweden)

    P. M. Rowe

    2013-12-01

    Full Text Available Simulations of cloud radiative properties for climate modeling and remote sensing rely on accurate knowledge of the complex refractive index (CRI of water. Although conventional algorithms employ a temperature-independent assumption (TIA, recent infrared measurements of supercooled water have demonstrated that the CRI becomes increasingly ice-like at lower temperatures. Here, we assess biases that result from ignoring this temperature dependence. We show that TIA-based cloud retrievals introduce spurious ice into pure, supercooled clouds, or underestimate cloud optical thickness and droplet size. TIA-based downwelling radiative fluxes are lower than those for the temperature-dependent CRI by as much as 1.7 W m−2 (in cold regions, while top-of-atmosphere fluxes are higher by as much as 3.4 W m−2 (in warm regions. Proper accounting of the temperature dependence of the CRI, therefore, leads to significantly greater local greenhouse warming due to supercooled clouds than previously predicted. The current experimental uncertainty in the CRI at low temperatures must be reduced to account for supercooled clouds properly in both climate models and cloud-property retrievals.

  13. Crystallization in diblock copolymer thin films at different degrees of supercooling

    DEFF Research Database (Denmark)

    Darko, C.; Botiz, I.; Reiter, G.

    2009-01-01

    The crystalline structures in thin films of polystyrene-b-poly(ethylene oxide) (PS-b-PEO) diblock copolymers were studied in dependence on the degree of supercooling. Atomic force microscopy showed that the crystalline domains (lamellae) consist of grains, which are macroscopic at low...

  14. Hydrophobic Surfaces: Topography Effects on Wetting by Supercooled Water and Freezing Delay

    DEFF Research Database (Denmark)

    Heydari, Golrokh; Thormann, Esben; Järn, Mikael

    2013-01-01

    Hydrophobicity, and in particular superhydrophobicity, has been extensively considered to promote ice-phobicity. Dynamic contact angle measurements above 0 °C have been widely used to evaluate the water repellency. However, it is the wetting properties of supercooled water at subzero temperatures...

  15. Supercooling Suppression of Microencapsulated n-Alkanes by Introducing an Organic Gelator

    Institute of Scientific and Technical Information of China (English)

    ZHU Kong-ying; WANG Shuang; QI Heng-zhi; LI Hui; ZHAO Yun-hui; YUAN Xiao-yan

    2012-01-01

    Supercooling of the microencapsulated phase change materials(PCMs) during cooling usually happens.This phenomenon can interfere with heat transfer and is necessary to further overcome.In this study,melamine-formaldehyde microcapsules containing two n-alkane PCMs,namely,n-dodecane(C12) or n-tetradecane(C14)were prepared by in situ polymerization.A small amount of n-hexatriacontane(C36) was introduced as an organic gelator into the core of microcapsules to cope with the supercooling problem.Analyses demonstrate that supcrcooling of the microencapsulated C12 or C14 was significantly suppressed by adding 3%(mass fraction) C36,without changing the spherical morphology and dispersibility.It could be also found that the enthalpy of microencapsulated C12 or C14 containing C36 was similar to that of microencapsulated n-alkanes without C36,whereas the difference between onsets of crystallization and melting(degree of supercooling) is similar to that of those of pure n-alkanes,suggesting the remarkable suppression ability of the organic gelator on supercooling.

  16. Anomalous dependence of the heat capacity of supercooled water on pressure and temperature

    Directory of Open Access Journals (Sweden)

    I.A. Stepanov

    2014-01-01

    Full Text Available In some papers, dependences of the isobaric heat capacity of water versus pressure and temperature were obtained. It is shown that these dependences contradict both the dependence of heat capacity on temperature for supercooled water, and an important thermodynamic equation for the dependence of heat capacity on pressure. A possible explanation for this contradiction is proposed.

  17. Temperature-dependent bouncing of super-cooled water on teflon-coated superhydrophobic tungsten nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Khedir, Khedir R.; Kannarpady, Ganesh K.; Ishihara, Hidetaka; Woo, Justin; Asar, Madhu P. [Center for Integrative Nanotechnology Sciences, University of Arkansas at Little Rock, 2801 South University Avenue, Little Rock, AR, 72204 (United States); Ryerson, Charles [Terrestrial and Cryospheric Sciences Branch Cold Regions, Research and Engineering Laboratory, U.S. Army Corps of Engineers, Hanover, NH 03755-1290 (United States); Biris, Alexandru S., E-mail: asbiris@ualr.edu [Center for Integrative Nanotechnology Sciences, University of Arkansas at Little Rock, 2801 South University Avenue, Little Rock, AR, 72204 (United States)

    2013-08-15

    The bouncing mechanism of warm and supercooled water droplets with temperatures ranging from 20 °C to −10 °C on the surface of superhydrophobic (SHP) tungsten nanorods (WNRs), held at a constant temperature of −10 °C, was investigated. The measurements were carried out inside a chamber kept at a low relative humidity of 20%. A considerable energy loss was observed mainly due to the increase in the viscous forces of the supercooled water droplet. The increase in the values of the capillary number, as a result of the variation in both viscosity and surface energy of the supercooled water droplet, has confirmed the significant role of viscous forces in the dissipation of bouncing energy. However, the contact time and contact line evolution of the supercooled water droplet on the surface remained unaffected by the decrease in its temperature at constant humidity. The calculations of the bouncing restitution and dissipated energy at various water droplet temperatures, using classical mechanics, were also carried out.

  18. Analysis of stability of a planar solid-liquid interface in a dilute binary alloy

    Science.gov (United States)

    Laxmanan, V.

    1990-01-01

    This paper reconsiders the question of stability of a planar solid-liquid interface in an undercooled alloy melt without making the restrictive assumption of no heat flow in the solid (i.e., Gs = 0). The results of this analysis indicate that, provided the thermal gradient on the solid side of the interface, Gs, is positive, stability can be achieved in an undercooled alloy melt for growth rates R greater than Ra (where Ra is the absolute stability limit of Mullins and Sekerka, 1964). Thus, the absolute stability criterion for steady-state planar growth in an undercooled alloy melt is the same as derived earlier by Mullins and Sekerka for directional solidification. Relaxing the restrictive assumption of Gs = 0 also reveals that there is a regime of stability for low growth rates and low supercoolings.

  19. Ionic liquids and their solid-state analogues as materials for energy generation and storage

    Science.gov (United States)

    Macfarlane, Douglas R.; Forsyth, Maria; Howlett, Patrick C.; Kar, Mega; Passerini, Stefano; Pringle, Jennifer M.; Ohno, Hiroyuki; Watanabe, Masayoshi; Yan, Feng; Zheng, Wenjun; Zhang, Shiguo; Zhang, Jie

    2016-02-01

    Salts that are liquid at room temperature, now commonly called ionic liquids, have been known for more than 100 years; however, their unique properties have only come to light in the past two decades. In this Review, we examine recent work in which the properties of ionic liquids have enabled important advances to be made in sustainable energy generation and storage. We discuss the use of ionic liquids as media for synthesis of electromaterials, for example, in the preparation of doped carbons, conducting polymers and intercalation electrode materials. Focusing on their intrinsic ionic conductivity, we examine recent reports of ionic liquids used as electrolytes in emerging high-energy-density and low-cost batteries, including Li-ion, Li-O2, Li-S, Na-ion and Al-ion batteries. Similar developments in electrolyte applications in dye-sensitized solar cells, thermo-electrochemical cells, double-layer capacitors and CO2 reduction are also discussed.

  20. Influence of Nanoparticles and Graphite Foam on the Supercooling of Acetamide

    Directory of Open Access Journals (Sweden)

    Jia Yu

    2014-01-01

    Full Text Available Acetamide is a promising phase change materials (PCMs for thermal storage,but the large supercooling during the freezing process has limited its application. In this study, we prepared acetamide-SiO2 composites by adding nano-SiO2 into acetamide. This modified PCM was then impregnated into the porous graphite foam forming acetamide-SiO2-graphite foam form-stable composites. These composites were subjected to melting-solidification cycles 50 times; the time-temperature curves were tracked and recorded during these cycles. The time-temperature curves showed that, for the acetamide containing 2 wt. % SiO2, the supercooling phenomenon was eliminated and the material’s performance was stable for 50 cycles. The solidification temperature of the acetamide-SiO2-graphite foam samples was 65°C and the melting temperature was lowered to 65°C. The samples exhibited almost no supercooling and the presence of SiO2 had no significant effect on the melting-solidification temperature. The microscopic supercooling of the acetamide-SiO2 composite was measured using differential scanning calorimetry (DSC. The results indicated that when the content of SiO2 was 1 wt. to 2 wt. %, the supercooling could be reduced to less than 10°C and heat was sufficiently released during solidification. Finally, a set of algorithms was derived using MATLAB software for simulating the crystallization of samples based on the classical nucleation theory. The results of the simulation agreed with the experiment results.

  1. Simulations of the flipping images and microparameters of molecular orientations in liquids according to the molecule string model

    Institute of Scientific and Technical Information of China (English)

    Wang Li-Na; Zhao Xing-Yu; Zhang Li-Li; Huang Yi-Neng

    2012-01-01

    The relaxation dynamics of liquids is one of the fundamental problems in liquid physics,and it is also one of the key issues to understand the glass transition mechanism.It will undoubtedly provide enlightenment on understanding and calculating the relaxation dynamics if the molecular orientation flipping images and relevant microparameters of liquids are studied.In this paper,we first give five microparameters to describe the individual molecular string (MS) relaxation based on the dynamical Hamiltonian of the MS model,and then simulate the images of individual MS ensemble,and at the same time calculate the parameters of the equilibrium state.The results show that the main molecular orientation flipping image in liquids (including supercooled liquid) is similar to the random walk.In addition,two pairs of the parameters are equal,and one can be ignored compared with the other.This conclusion will effectively reduce the difficulties in calculating the individual MS relaxation based on the single-molecule orientation flipping rate of the general Glauber type,and the computer simulation time of interaction MS relaxation.Moreover,the conclusion is of reference significance for solving and simulating the multi-state MS model.

  2. Optimization of Zoom Lens with Discrete State of Liquid Lens Elements by Using Genetic Algorithm

    Directory of Open Access Journals (Sweden)

    Cheng-Mu Tsai

    2015-01-01

    Full Text Available This paper is to employ liquid lens elements to design a lens with zoom function by using the genetic algorithm (GA optimization. The liquid lens elements used in the proposal can apply voltage adjustment to generate the electrical field that induces the liquid with electric conductivity to vary the surface curvature between two different kinds of liquids. According to the voltage level, the liquid lens element makes the discrete variation of the curvature and thickness realize the zoom function without moving the lens groups so that the overall length can be reduced. However, it is difficult to design the zoom lens under the discrete variation of the curvature and thickness in the liquid lens elements and the mechanical space that is constantly limited. The GA offers a flexible way for lens optimization. We regarded the spot size as the fitness function to look for the optimum curvatures, thickness, and the corresponding statuses of liquid lens elements for the zoom lens. As a result, the zoom lens with constant space can be realized by running the selection, crossover, and mutation operation in the GA optimization.

  3. Properties and Acceleration Mechanism of Cement Mortar Added with Low Alkaline Liquid State Setting Accelerator

    Institute of Scientific and Technical Information of China (English)

    PAN Zhihua; WANG Xuebing; LIU Weiqing

    2014-01-01

    Low alkaline liquid state setting accelerator(LSA) for Portland cement was prepared in laboratory from aqueous solution of several inorganic sulfate salts and some organic chemical substances. Properties of cement with addition of LSA relating to its setting time and strength development as well as its resistance to sulfate attack for short and long term exposure were experimentally examined. The experimental results showed that 5%-7%addition of LSA significantly accelerated the initial and final setting of Portland cement in the presence or absence of the blending of mineral admixtures, the initial and final setting time being less than 3 min and 6 min respectively. Meanwhile, the early 1 day curing age compressive strength increased remarkably by 20%, while the late 28th day curing age compressive strength remained almost unchanged as compared with that of the reference accelerator free cement mortar specimen. Furthermore, mortar specimens of cement added with LSA and exposed to 5%Na2SO4 solution showed their excellent resistance to sulfate attack, with their short and long term curing age resistance coefficient to sulfate attack being around 1.04 to 1.17, all larger than 1.0. XRD analysis on hardened cement paste specimens at very early curing ages of several minutes disclosed the existence of more ettringite in specimens added with LSA than that of the reference specimens, meanwhile SEM observation also revealed the existence of well crystallized ettringite at very early hydration stage, suggesting that the accelerated setting of Portland cement can be attributed to the early and rapid formation of ettringite over the whole cement paste matrix due to the introduction of LSA. MIP measurement revealed that hardened cement paste specimens with the addition of LSA presented less medium diameter pores, more proportion of small pores and less proportion of large capillary pores, which is in a very good coincidence with the improvement of strength development of

  4. Mechanical and microstructural behaviour during bonding of alumina to niobium by liquid state diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Lemus R, J.; Ramirez R, M. I.; Verduzco M, J. A.; Zarate M, J., E-mail: jlruiz@umich.mx [Universidad Michoacana de San Nicolas de Hidalgo, Instituto de Investigacion en Metalurgia y Materiales, Francisco Mujica s/n, 58000 Morelia, Michoacan (Mexico)

    2015-10-15

    The objective of this work was to study various aspects of liquid state diffusion bonding of cylindrical samples of Al{sub 2}O{sub 3} and commercially pure niobium (99.7%) by brazing using a 25 μm thick 70/Cu-30/Zn (wt %) alloy as joining element. Initially, sintering of alumina powder was carried out in order to produce a 7 mm diameter samples at 1550 degrees C by 60 minutes. Joining experiments were carried out on Al{sub 2}O{sub 3}/Cu-Zn/Nb/Cu-Zn/Al{sub 2}O{sub 3} sandwich-like combinations at temperature of 920, 950 and 980 degrees C using vary holding times under Ar. The experimental results show a successful joining of Al{sub 2}O{sub 3} to Nb at 950 and 980 degrees C, however not at 920 degrees C. Joining of Al{sub 2}O{sub 3}/Cu-Zn/Nb/Cu-Zn/Al{sub 2}O{sub 3} occurred by the formation of a homogeneous diffusion zone with no interfacial cracking or porosity at the interface. Scanning electron microscopy (Sem) micrographs show the layer formed in the reaction zone. It was observed that the width of the reaction zone increases with bonding temperature and time. Electron probe microanalysis (Epma) revealed that at any particular bonding temperature, Nb travel into the Cu-Zn joining element forming a circular precipitate phase near to the Al{sub 2}O{sub 3} ceramic. Shears test evaluation show results vary from 57 to 127 MPa in samples joined at 980 degrees C and time vary from 10 to 35 minutes, respectively. (Author)

  5. Vapor liquid equilibrium constants through a non-equation of state approach: methane-free aliphatic binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Hsiung, T.H.; Thodos, G.

    1975-06-01

    Northwestern University developed an alternate method to help predict vapor-liquid equilibrium constants without an equation of state by using the fundamental properties associated with the pure-state components and the critical pressure of the mixture. The method consists of developing correlations to help predict K-constants for other aliphatic binary mixtures not containing methane from vapor-liquid equilibrium measurements available in the literature for the 3 binaries of the system ethane-butane-heptane. This approach was tested for 7 other binaries (ethane/n-hexane, propane/i-butane, propane/i-butane, propane/n-pentane, propane/i-pentane, poprane/n-decane, and propylene/i-butane). The K-values obtained displayed good agreement with experimental measurements, especially in the vicinity of the critical point.

  6. The flexibility of SIMPSON and SIMMOL for numerical simulations in solid-and liquid-state NMR spectroscopy

    CERN Document Server

    Vosegaard, T; Nielsen, N C

    2002-01-01

    Addressing the need for numerical simulations in the design and interpretation of advanced solid- and liquid-state NMR experiments, we present a number of novel features for numerical simulations based on the SIMPSON and SIMMOL open source software packages. Major attention is devoted to the flexibility of these Tcl-interfaced programs for numerical simulation of NMR experiments being complicated by demands for efficient powder averaging, large spin systems, and multiple-pulse rf irradiation. These features are exemplified by fast simulation of second-order quadrupolar powder patterns using crystallite interpolation, analysis of rotary resonance triple-quantum excitation for quadrupolar nuclei, iterative fitting of MQ-MAS spectra by combination of SIMIPSON and MINUIT, simulation of multiple-dimensional PISEMA-type correlation experiments for macroscopically oriented membrane proteins, simulation of Hartman-Hahn polarization transfers in liquid-state NMR, and visualization of the spin evolution under complex c...

  7. Matched elastic constants for a perfect helical planar state and a fast switching time in chiral nematic liquid crystals.

    Science.gov (United States)

    Yu, Meina; Zhou, Xiaochen; Jiang, Jinghua; Yang, Huai; Yang, Deng-Ke

    2016-05-11

    Chiral nematic liquid crystals possess a self-assembled helical structure and exhibit unique selective reflection in visible and infrared light regions. Their optical properties can be electrically tuned. The tuning involves the unwinding and restoring of the helical structure. We carried out an experimental study on the mechanism of the restoration of the helical structure. We constructed chiral nematic liquid crystals with variable elastic constants by doping bent-dimers and studied their impact on the restoration. With matched twist and bend elastic constants, the helical structure can be restored dramatically fast from the field-induced homeotropic state. Furthermore, defects can be eliminated to produce a perfect planar state which exhibits high selective reflection.

  8. Mesoporous silica/ionic liquid quasi-solid-state electrolytes and their application in lithium metal batteries

    Science.gov (United States)

    Li, Xiaowei; Zhang, Zhengxi; Yin, Kun; Yang, Li; Tachibana, Kazuhiro; Hirano, Shin-ichi

    2015-03-01

    In this work, the ordered mesoporous silica, SBA-15, is chosen as the matrix for the first time to prepare quasi-solid-state electrolytes (QSSEs) with an ionic liquid, LiTFSI salt and PVdF-HFP. The as-obtained QSSEs are evaluated by electrochemical methods. Lithium metal batteries containing these QSSEs exhibit high discharge capacity and good cycle performance at room temperature, indicating successful battery operation.

  9. Permeability in a state of partial solidification of aqueous solution

    Science.gov (United States)

    Okada, Masashi; Kang, Chaedong; Okiyama, Haruhiko

    A mushy region was formed by solidifying NaCl aqueous solution in a circular tube or a rectangular tube. The measurements of permeability were performed by changing volume fraction of liquid region in the mushy region. The dendritic ice in the solidification process was observed with a CCD microscope. The following results were obtained. The permeability increases with the volume fraction of liquid phase, and decreases with increasing the super-cooling degree of the solution or increasing the initial concentration of the solution, and is constant after the mushy region was formed. The arm space of dendrite becomes narrower as the super-cooling degree of the solution increases.

  10. The Violation of Stokes-Einstein Relation in Supercooled Water

    OpenAIRE

    Chen, Sow-Hsin; Mallamace, Francesco; Mou, Chung-Yuan; Broccio, Matteo; Corsaro, Carmelo; Faraone, Antonio; Liu, Li

    2006-01-01

    By confining water in nanopores, so narrow that the liquid cannot freeze, it is possible to explore its properties well below its homogeneous nucleation temperature TH ~ 235 K. In particular, the dynamical parameters of water can be measured down to 180 K approaching the suggested glass transition temperature Tg ~ 165 K. Here we present experimental evidence, obtained from Nuclear Magnetic Resonance and Quasi-Elastic Neutron Scattering spectroscopies, of a well defined decoupling of transport...

  11. Search for the First-Order Liquid-to-Liquid Phase Transition in Low-Temperature Confined Water by Neutron Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Sow-Hsin [Massachusetts Institute of Technology (MIT); Wang, Zhe [Massachusetts Institute of Technology (MIT); Kolesnikov, Alexander I [ORNL; Zhang, Yang [ORNL; Liu, Kao-Hsiang [National Taiwan University

    2013-01-01

    It has been conjectured that a 1st order liquid-to-liquid (L-L) phase transition (LLPT) between high density liquid (HDL) and low density liquid (LDL) in supercooled water may exist, as a thermodynamic extension to the liquid phase of the 1st order transition established between the two bulk solid phases of amorphous ice, the high density amorphous ice (HDA) and the low density amorphous ice (LDA). In this paper, we first recall our previous attempts to establish the existence of the 1st order L-L phase transition through the use of two neutron scattering techniques: a constant Q elastic diffraction study of isobaric temperature scan of the D2O density, namely, the equation of state (EOS) measurements. A pronounced density hysteresis phenomenon in the temperature scan of the density above P = 1500 bar is observed which gives a plausible evidence of crossing the 1st order L-L phase transition line above this pressure; an incoherent quasi-elastic scattering measurements of temperature-dependence of the alpha-relaxation time of H2O at a series of pressures, namely, the study of the Fragile-to-Strong dynamic crossover (FSC) phenomenon as a function of pressure which we interpreted as the results of crossing the Widom line in the one-phase region. In this new experiment, we used incoherent inelastic neutron scattering (INS) to measure the density of states (DOS) of H atoms in H2O molecules in confined water as function of temperature and pressure, through which we may be able to follow the emergence of the LDL and HDL phases at supercooled temperature and high pressures. We here report for the first time the differences of librational and translational DOSs between the hypothetical HDL and LDL phases, which are similar to the corresponding differences between the well-established HDA and LDA ices. This is plausible evidence that the HDL and LDL phases are the thermodynamic extensions of the corresponding amorphous solid water HDA and LDA ices.

  12. Molecular kinetics of solid and liquid CHCl$_3$

    CERN Document Server

    Caballero, Nirvana B; Carignano, Marcelo A; Serra, Pablo

    2013-01-01

    We present a detailed analysis of the molecular kinetics of CHCl$_3$ in a range of temperatures covering the solid and liquid phases. Using nuclear quadrupolar resonance we determine the relaxation times for the molecular rotations in solid at pre-melting conditions. Molecular dynamics simulations are used to characterize the rotational dynamics in the solid and liquid phases and to study the local structure of the liquid in terms of the molecular relative orientations. We find that in the pre-melting regime the molecules rotate about the C-H bond, but the rotations are isotropic in the liquid, even at supercooled conditions.

  13. Advances in numerical solutions to integral equations in liquid state theory

    Science.gov (United States)

    Howard, Jesse J.

    Solvent effects play a vital role in the accurate description of the free energy profile for solution phase chemical and structural processes. The inclusion of solvent effects in any meaningful theoretical model however, has proven to be a formidable task. Generally, methods involving Poisson-Boltzmann (PB) theory and molecular dynamic (MD) simulations are used, but they either fail to accurately describe the solvent effects or require an exhaustive computation effort to overcome sampling problems. An alternative to these methods are the integral equations (IEs) of liquid state theory which have become more widely applicable due to recent advancements in the theory of interaction site fluids and the numerical methods to solve the equations. In this work a new numerical method is developed based on a Newton-type scheme coupled with Picard/MDIIS routines. To extend the range of these numerical methods to large-scale data systems, the size of the Jacobian is reduced using basis functions, and the Newton steps are calculated using a GMRes solver. The method is then applied to calculate solutions to the 3D reference interaction site model (RISM) IEs of statistical mechanics, which are derived from first principles, for a solute model of a pair of parallel graphene plates at various separations in pure water. The 3D IEs are then extended to electrostatic models using an exact treatment of the long-range Coulomb interactions for negatively charged walls and DNA duplexes in aqueous electrolyte solutions to calculate the density profiles and solution thermodynamics. It is found that the 3D-IEs provide a qualitative description of the density distributions of the solvent species when compared to MD results, but at a much reduced computational effort in comparison to MD simulations. The thermodynamics of the solvated systems are also qualitatively reproduced by the IE results. The findings of this work show the IEs to be a valuable tool for the study and prediction of

  14. Steady-state composition of a two-component gas bubble growing in a liquid solution: self-similar approach

    CERN Document Server

    Gor, G Yu

    2009-01-01

    The paper presents an analytical description of the growth of a two-component bubble in a binary liquid-gas solution. We obtain asymptotic self-similar time dependence of the bubble radius and analytical expressions for the non-steady profiles of dissolved gases around the bubble. We show that the necessary condition for the self-similar regime of bubble growth is the constant, steady-state composition of the bubble. The equation for the steady-state composition is obtained. We reveal the dependence of the steady-state composition on the solubility laws of the bubble components. Besides, the universal, independent from the solubility laws, expressions for the steady-state composition are obtained for the case of strong supersaturations, which are typical for the homogeneous nucleation of a bubble.

  15. A molecular dynamics study on surface properties of supercooled water

    Institute of Scientific and Technical Information of China (English)

    Lü; Yongjun

    2006-01-01

    [1]Basu J K,Hazra S,Sanyal M K.Growth mechanism of Langmuir-Blodgett films.Phys Rev Lett,1999,82:4675-4678[2]Taylor R S,Shields R L.Molecular-dynamics simulations of the ethanol liquid-vapor interface.J Chem Phys,2003,119:12569-12576[3]Velev O D,Gurkov T D,Ivanov I B,et al.Abnormal thickness and stability of nonequilibrium liquid films.Phys Rev Lett,1995,75:264-267[4]Weng J G,Park S,Lukes J R,et al.Molecular dynamics investigation of thickness effect on liquid films.J Chem Phys,2000,113:5917-5923[5]Zakharov V V,Brodskaya E N,Laaksonen A.Surface tension of water droplets:A molecular dynamics study of model and size dependencies.J Chem Phys,1997,107:10675-10683[6]Wang J Z,Chen M,Guo Z Y.A two-dimensional molecular dynamics simulation of liquid-vapor nucleation.Chin Sci Bull,2003,48(7):623-626[7]Guissani Y,Guillot B.A computer simulation study of the liquid-vapor coexistence curve of water.J Chem Phys,1993,98:8221-8235[8]Wilson M A,Pohorille A,Pratt L R.Surface potential of the water liquid-vapor interface.J Chem Phys,1988,88:3281-3285[9]Alejandre J,Tildesley D J,Chapela G A.Molecular dynamics simulation of the orthobaric densities and surface tension of water.J Chem Phys,1995,102:4574-4583[10]Matsumoto M,Kataoka Y.Study on liquid-vapor interface of water (Ⅰ):Simulational results of thermodynamic properties and orientational structure.J Chem Phys,1988,88:3233-3245[11]Floriano M A,Angell C A.Surface tension and molar surface free energy and entropy of water to-27.2℃.J Phys Chem,1990,94:4199-4202[12]Jorgensen W L,Chandrasekhar J,Madura J D.Comparison of simple potential functions for simulating liquid water.J Chem Phys,1993,79:926-935[13]Berendsen H J C,Grigera J R,Straatsma T P.The missing term in effective pair potentials.J Phys Chem,1987,91:6269-6271[14]Arbuckle B W,Clancy P.Effects of the Ewald sum on the free energy of the extended simple point charge model for water.J Chem Phys,2002,116:5090-5098[15]Tarazona P,Chacon E,Reinaldo-Falagan M,et al

  16. Structure and thermal expansion of liquid bismuth

    Directory of Open Access Journals (Sweden)

    Mudry S.

    2015-12-01

    Full Text Available Experimental structural data for liquid Bi were used for estimation of the main structure parameters as well as the thermal expansion coefficient both in supercooled and superheated temperature ranges. It was shown that the equilibrium melt had a positive thermal expansion coefficient within a temperature range upon melting and a negative one at higher temperatures. The former was related to structure changes upon melting, whereas the latter with topologic disordering upon further heating. It was found that the superheated melt had a negative thermal expansion coefficient. The results obtained from structural data were compared with the thermal expansion coefficient calculated from the data of density for liquid Bi.

  17. Photo-Stimulated Electron Detrapping and the Two-State Model for Electron Transport in Nonpolar Liquids

    CERN Document Server

    Shkrob, I A

    2004-01-01

    In common nonpolar liquids, such as saturated hydrocarbons, a dynamic equilibrium between trapped (localized) and quasifree (extended) states has been postulated for the excess electron (the two-state model). Using time-resolved dc conductivity, the effect of 1064 nm laser photoexcitation of trapped electrons on the charge transport has been observed in liquid n-hexane and methylcyclohexane. The light promotes the electron from the trap into the conduction band of the liquid, instantaneously increasing the conductivity by orders of magnitude. From the analysis of the two-pulse, two-color photoconductivity data, the residence time of the electrons in traps has been estimated as ca. 8.4 ps for n-hexane and ca. 13 ps for methylcyclohexane (at 295 K). The rate of detrapping decreases at lower temperature with an activation energy of ca. 200 meV (280-320 K); the lifetime-mobility product for quasifree electrons scales linearly with the temperature. We suggest that the properties of trapped electrons in hydrocarbon...

  18. Numerical Simulation for Natural State of Two-Phase Liquid Dominated Geothermal Reservoir with Steam Cap Underlying Brine Reservoir

    Science.gov (United States)

    Pratama, Heru Berian; Miryani Saptadji, Nenny

    2016-09-01

    Hydrothermal reservoir which liquid-dominated hydrothermal reservoir is a type of geothermal reservoir that most widely used for power plant. The exploitation of mass and heat from the geothermal fluid will decrease the pressure in the reservoir over time. Therefore the pressure drop in the reservoir will have an impact on the formation of boiling zones or boiling will increase. The impacts are an increase in the fraction of steam, dryness, in the reservoir and with good vertical permeability will form a steam cap underlying the brine reservoir. The two- phase liquid dominated reservoir is sensitive to the porosity and difficult to assign average properties of the entire reservoir when there is boiling zone in some area of the reservoir. These paper showed successful development of two-phase liquid dominated geothermal reservoir and discussed the formation of steam cap above brine reservoir through numerical simulation for state natural conditions. The natural state modeling in steam cap shows a match with the conceptual model of the vapor-dominated developed. These paper also proofed the presence of transition zone, boiling zone, between steam cap and brine reservoir.

  19. Patterns of variation in glycogen, free glucose and lactate in organs of supercooled hatchling painted turtles (Chrysemys picta).

    Science.gov (United States)

    Packard, Mary J; Packard, Gary C

    2005-08-01

    Hatchling painted turtles (Chrysemys picta) typically spend their first winter of life in a shallow, subterranean hibernaculum (the natal nest), where they may be exposed for extended periods to ice and cold. The key to their survival seems to be to avoid freezing and to sustain a state of supercooling. As temperature declines below 0 degrees C, however, the heart of an unfrozen turtle beats progressively slower, the diminished perfusion of peripheral tissues with blood induces a functional hypoxia, and anaerobic glycolysis assumes ever greater importance as a source of ATP. We hypothesized that diminished circulatory function in supercooled turtles also reduces the delivery of metabolic substrates to peripheral tissues from central stores in the liver, so that the tissues depend increasingly on endogenous stores to fuel their metabolism. We discovered in the current investigation that part of the glycogen reserve in hearts and brains of hatchlings is mobilized during the first 10 days of exposure to -6 degrees C but that glucose from hepatic glycogen supports metabolism of the organs thereafter. Hatchlings that were held at -6 degrees C for 10 days and then at +3 degrees C for another 10 days were able to reconstitute some of the reserve of glycogen in heart and liver but not the glycogen reserve in brain. Patterns of accumulation of lactate in individual organs were very similar to those reported for whole animals in a companion study, and point to a high degree of reliance on anaerobic metabolism at -6 degrees C and to a lesser degree of reliance on anaerobiosis at higher subzero temperatures. Lactate had returned to baseline levels in organs of animals that were held for 10 days at -6 degrees C and for another 10 days at +3 degrees C, but free glucose remained elevated. Indeed, carbohydrate metabolism probably does not return to the pre-exposure state in any of the major organs until well after the exposure to subzero temperatures has ended, circulatory

  20. The water supercooled regime as described by four common water models

    CERN Document Server

    Malaspina, David C; Pereyra, Rodolfo G; Szleifer, Igal; Carignano, Marcelo A

    2013-01-01

    The temperature scale of simple water models in general does not coincide with the natural one. Therefore, in order to make a meaningful evaluation of different water models a temperature rescaling is necessary. In this paper we introduce a rescaling using the melting temperature and the temperature corresponding to the maximum of the heat capacity to evaluate four common water models (TIP4P-Ew, TIP4P-2005, TIP5P-Ew and Six-Sites) in the supercooled regime. Although all the models show the same general qualitative behavior, the TIP5P-Ew appears as the best representation of the supercooled regime when the rescaled temperature is used. We also analyze, using thermodynamic arguments, the critical nucleus size for ice growth. Finally, we speculate on the possible reasons why atomistic models do not usually crystalize while the coarse grained mW model do crystallize.

  1. The vapor pressures and activities of dicarboxylic acids reconsidered: the impact of the physical state of the aerosol

    Directory of Open Access Journals (Sweden)

    V. Soonsin

    2010-08-01

    Full Text Available We present vapor pressure data of the C2 to C5 dicarboxylic acids deduced from measured evaporation rates of single levitated particles as both, aqueous droplets and solid crystals. The data of aqueous solution particles over a wide concentration range allow us to directly calculate activities of the dicarboxylic acids and comparison of these activities with parameterizations reported in the literature. The data of the pure liquid state acids, i.e. the dicarboxylic acids in their supercooled melt state, exhibit no even-odd alternation in vapor pressure, while the acids in the solid form do. This observation is consistent with the known solubilities of the acids and our measured vapor pressures of the supercooled melt. Thus, the gas/particle partitioning of the different dicarboxylic acids in the atmosphere depends strongly on the physical state of the aerosol phase, the difference being largest for the even acids.

    Our results show also that, in general, measurements of vapor pressures of solid dicarboxylic acids may be compromised by the presence of amorphous fractions, polymorphic forms, crystalline structures with a high defect number, and/or solvent inclusions in the solid material, yielding a higher vapor pressure than the one of the thermodynamically stable crystalline form at the same temperature.

  2. The vapor pressures and activities of dicarboxylic acids reconsidered: the impact of the physical state of the aerosol

    Directory of Open Access Journals (Sweden)

    V. Soonsin

    2010-12-01

    Full Text Available We present vapor pressure data of the C2 to C5 dicarboxylic acids deduced from measured evaporation rates of single levitated particles as both, aqueous droplets and solid crystals. The data of aqueous solution particles over a wide concentration range allow us to directly calculate activities of the dicarboxylic acids and comparison of these activities with parameterizations reported in the literature. The data of the pure liquid state acids, i.e. the dicarboxylic acids in their supercooled melt state, exhibit no even-odd alternation in vapor pressure, while the acids in the solid form do. This observation is consistent with the known solubilities of the acids and our measured vapor pressures of the supercooled melt. Thus, the gas/particle partitioning of the different dicarboxylic acids in the atmosphere depends strongly on the physical state of the aerosol phase, the difference being largest for the even acids. Our results show also that, in general, measurements of vapor pressures of solid dicarboxylic acids may be compromised by the presence of polymorphic forms, crystalline structures with a high defect number, and/or solvent inclusions in the solid material, yielding a higher vapor pressure than the one of the thermodynamically stable crystalline form at the same temperature.

  3. 500-fold enhancement of in situ 13C liquid state NMR using gyrotron-driven temperature-jump DNP

    Science.gov (United States)

    Yoon, Dongyoung; Soundararajan, Murari; Caspers, Christian; Braunmueller, Falk; Genoud, Jérémy; Alberti, Stefano; Ansermet, Jean-Philippe

    2016-09-01

    A 550-fold increase in the liquid state 13C NMR signal of a 50 μL sample was obtained by first hyperpolarizing the sample at 20 K using a gyrotron (260 GHz), then, switching its frequency in order to apply 100 W for 1.5 s so as to melt the sample, finally, turning off the gyrotron to acquire the 13C NMR signal. The sample stays in its NMR resonator, so the sequence can be repeated with rapid cooling as the entire cryostat stays cold. DNP and thawing of the sample are performed only by the switchable and tunable gyrotron without external devices. Rapid transition from DNP to thawing in one second time scale was necessary especially in order to enhance liquid 1H NMR signal.

  4. Hypothesis: could the signalling function of membrane microdomains involve a localized transition of lipids from liquid to solid state?

    Directory of Open Access Journals (Sweden)

    Joly Etienne

    2004-01-01

    Full Text Available Abstract Background Over the past decade, it has become apparent that specialised membrane microdomains, commonly called rafts, where lipids like sphingolipids and cholesterol are arranged compactly in a liquid ordered phase are involved in cell signalling. Hypothesis The core of the hypothesis presented here is that resting cells may actively maintain their plasma membrane in liquid phase, corresponding to a metastable thermodynamic state. Following a physiological stimulus such as ligands binding to their membrane receptors, the tendency of membrane components to undergo a localised transition towards a gel state would increase, resulting in initial minute solid structures. These few membrane components having undergone a liquid to solid state transition, would then act as seeds for the specific recruitment of additional membrane components whose properties are compatible with the crystalline growth of these initial docks. Cells could therefore be using the propensity of lipids to assemble selectively to generate stable platforms of particular cellular components either for intra-cellular transport or for signal transduction. Testing the hypothesis could presumably be done via biophysical approaches such as EPR spin labelling, X-ray diffraction or FRET coupled to direct microscopic observation of cells to which very localized stimuli would be delivered. Implications Such a model of selective growth of membrane docks would provide an explanation for the existence of different types of microdomains, and for the fact that, depending on the state of the cells and on the procedures used to isolate them, membrane microdomains can vary greatly in their properties and composition. Ultimately, a thorough understanding of how and why lipid domains are assembled in biological membranes will be essential for many aspects of cell biology and medicine.

  5. Quantum State-Resolved Reactive and Inelastic Scattering at Gas-Liquid and Gas-Solid Interfaces

    Science.gov (United States)

    Grütter, Monika; Nelson, Daniel J.; Nesbitt, David J.

    2012-06-01

    Quantum state-resolved reactive and inelastic scattering at gas-liquid and gas-solid interfaces has become a research field of considerable interest in recent years. The collision and reaction dynamics of internally cold gas beams from liquid or solid surfaces is governed by two main processes, impulsive scattering (IS), where the incident particles scatter in a few-collisions environment from the surface, and trapping-desorption (TD), where full equilibration to the surface temperature (T{TD}≈ T{s}) occurs prior to the particles' return to the gas phase. Impulsive scattering events, on the other hand, result in significant rotational, and to a lesser extent vibrational, excitation of the scattered molecules, which can be well-described by a Boltzmann-distribution at a temperature (T{IS}>>T{s}). The quantum-state resolved detection used here allows the disentanglement of the rotational, vibrational, and translational degrees of freedom of the scattered molecules. The two examples discussed are (i) reactive scattering of monoatomic fluorine from room-temperature ionic liquids (RTILs) and (ii) inelastic scattering of benzene from a heated (˜500 K) gold surface. In the former experiment, rovibrational states of the nascent HF beam are detected using direct infrared absorption spectroscopy, and in the latter, a resonace-enhanced multi-photon-ionization (REMPI) scheme is employed in combination with a velocity-map imaging (VMI) device, which allows the detection of different vibrational states of benzene excited during the scattering process. M. E. Saecker, S. T. Govoni, D. V. Kowalski, M. E. King and G. M. Nathanson Science 252, 1421, 1991. A. M. Zolot, W. W. Harper, B. G. Perkins, P. J. Dagdigian and D. J. Nesbitt J. Chem. Phys 125, 021101, 2006. J. R. Roscioli and D. J. Nesbitt Faraday Disc. 150, 471, 2011.

  6. Level crossing analysis of chemically induced dynamic nuclear polarization: Towards a common description of liquid-state and solid-state cases

    Science.gov (United States)

    Sosnovsky, Denis V.; Jeschke, Gunnar; Matysik, Jörg; Vieth, Hans-Martin; Ivanov, Konstantin L.

    2016-04-01

    Chemically Induced Dynamic Nuclear Polarization (CIDNP) is an efficient method of creating non-equilibrium polarization of nuclear spins by using chemical reactions, which have radical pairs as intermediates. The CIDNP effect originates from (i) electron spin-selective recombination of radical pairs and (ii) the dependence of the inter-system crossing rate in radical pairs on the state of magnetic nuclei. The CIDNP effect can be investigated by using Nuclear Magnetic Resonance (NMR) methods. The gain from CIDNP is then two-fold: it allows one to obtain considerable amplification of NMR signals; in addition, it provides a very useful tool for investigating elusive radicals and radical pairs. While the mechanisms of the CIDNP effect in liquids are well established and understood, detailed analysis of solid-state CIDNP mechanisms still remains challenging; likewise a common theoretical frame for the description of CIDNP in both solids and liquids is missing. Difficulties in understanding the spin dynamics that lead to the CIDNP effect in the solid-state case are caused by the anisotropy of spin interactions, which increase the complexity of spin evolution. In this work, we propose to analyze CIDNP in terms of level crossing phenomena, namely, to attribute features in the CIDNP magnetic field dependence to Level Crossings (LCs) and Level Anti-Crossings (LACs) in a radical pair. This approach allows one to describe liquid-state CIDNP; the same holds for the solid-state case where anisotropic interactions play a significant role in CIDNP formation. In solids, features arise predominantly from LACs, since in most cases anisotropic couplings result in perturbations, which turn LCs into LACs. We have interpreted the CIDNP mechanisms in terms of the LC/LAC concept. This consideration allows one to find analytical expressions for a wide magnetic field range, where several different mechanisms are operative; furthermore, the LAC description gives a way to determine CIDNP sign

  7. Level crossing analysis of chemically induced dynamic nuclear polarization: Towards a common description of liquid-state and solid-state cases.

    Science.gov (United States)

    Sosnovsky, Denis V; Jeschke, Gunnar; Matysik, Jörg; Vieth, Hans-Martin; Ivanov, Konstantin L

    2016-04-14

    Chemically Induced Dynamic Nuclear Polarization (CIDNP) is an efficient method of creating non-equilibrium polarization of nuclear spins by using chemical reactions, which have radical pairs as intermediates. The CIDNP effect originates from (i) electron spin-selective recombination of radical pairs and (ii) the dependence of the inter-system crossing rate in radical pairs on the state of magnetic nuclei. The CIDNP effect can be investigated by using Nuclear Magnetic Resonance (NMR) methods. The gain from CIDNP is then two-fold: it allows one to obtain considerable amplification of NMR signals; in addition, it provides a very useful tool for investigating elusive radicals and radical pairs. While the mechanisms of the CIDNP effect in liquids are well established and understood, detailed analysis of solid-state CIDNP mechanisms still remains challenging; likewise a common theoretical frame for the description of CIDNP in both solids and liquids is missing. Difficulties in understanding the spin dynamics that lead to the CIDNP effect in the solid-state case are caused by the anisotropy of spin interactions, which increase the complexity of spin evolution. In this work, we propose to analyze CIDNP in terms of level crossing phenomena, namely, to attribute features in the CIDNP magnetic field dependence to Level Crossings (LCs) and Level Anti-Crossings (LACs) in a radical pair. This approach allows one to describe liquid-state CIDNP; the same holds for the solid-state case where anisotropic interactions play a significant role in CIDNP formation. In solids, features arise predominantly from LACs, since in most cases anisotropic couplings result in perturbations, which turn LCs into LACs. We have interpreted the CIDNP mechanisms in terms of the LC/LAC concept. This consideration allows one to find analytical expressions for a wide magnetic field range, where several different mechanisms are operative; furthermore, the LAC description gives a way to determine CIDNP sign

  8. Rare-gas liquids - Equation of state and reduced-pressure, reduced-bulk-modulus, and reduced-sound-velocity functions

    Science.gov (United States)

    Schlosser, Herbert

    1990-01-01

    This paper is concerned with verification of the applicability of the Vinet et al. (1987) universal equation of state to the liquid phase of the rare-gas elements under pressure. As previously observed in solids and liquids metals, to a good approximation, in the absence of phase transitions, plots of the logarithms of the reduced pressure function, of the reduced sound velocity, and of the reduced bulk modulus, are all linear functions of 1 - X over the entire experimental pressure range. The results obtained on the rare-gas liquids are comparable in accuracy to those obtained in previous work on solids and liquid metals.

  9. Positron Lifetime Study of the Transition from Glassy to Normal Liquid State for Two Phenyl Ethers

    DEFF Research Database (Denmark)

    Pethrick, R. A.; Jacobsen, F. M.; Mogensen, O. E.

    1980-01-01

    at ≈ 233 K is associated with the glass transition for these liquids. A further change in the temperature dependence of the o-Ps lifetime was observed above 313 K where it becomes once more only weakly temperature dependent. Below the glass transition (Tg) Ps is probably trapped in pre-existing holes...

  10. FTIR Spectra of n-Octanol in Liquid and Solid States

    Directory of Open Access Journals (Sweden)

    A. Vasileva

    2014-01-01

    Full Text Available The investigation of the temperature dependence of FTIR spectrum of n-octanol in the temperature range from −150°C to 50°C is presented. The observed changes in the registered spectra during gradual heating of the sample were analysed. The structure transformation at the phase transition from solid to liquid phase is detected.

  11. STEADY-STATE DESIGN OF VERTICAL WELLS FOR LIQUIDS ADDITION AT BIOREACTOR LANDFILLS

    Science.gov (United States)

    This paper presents design charts that a landfill engineer can use for the design of a vertical well system for liquids addition at bioreactor landfills. The flow rate and lateral and vertical zones of impact of a vertical well were estimated as a function of input variables su...

  12. STEADY-STATE DESIGN OF VERTICAL WELLS FOR LIQUIDS ADDITION AT BIOREACTOR LANDFILLS

    Science.gov (United States)

    This paper presents design charts that a landfill engineer can use for the design of a vertical well system for liquids addition at bioreactor landfills. The flow rate and lateral and vertical zones of impact of a vertical well were estimated as a function of input variables su...

  13. A first truly all-solid state organic electrochromic device based on polymeric ionic liquids.

    Science.gov (United States)

    Shaplov, Alexander S; Ponkratov, Denis O; Aubert, Pierre-Henri; Lozinskaya, Elena I; Plesse, Cédric; Vidal, Frédéric; Vygodskii, Yakov S

    2014-03-25

    Using polymeric ionic liquids and PEDOT as ion conducting separators and electrodes, respectively, an all-polymer-based organic electrochromic device (ECD) has been constructed. The advantages of such an ECD are: fast switching time (3 s), high coloration efficiency (390 cm(2) C(-1) at 620 nm), optical contrast up to ΔT = 22% and the possibility of working under vacuum.

  14. The Physics Teacher: The Four States of Matter--Solid, Squishy, Liquid and Gas

    Science.gov (United States)

    Clark, Roy W.

    2007-01-01

    The Physics Teacher provides introductory physics education at the high school and university levels and some of its articles are of interest to chemists. One such article points out that several substances used in the kitchen and bathrooms are not simple liquids or solids but are squishy substances, which include mayonnaise, shaving cream,…

  15. Cβ-H stretching vibration as a new probe for conformation of n-propanol in gaseous and liquid states.

    Science.gov (United States)

    Yu, Yuanqin; Wang, Yuxi; Hu, Naiyin; Lin, Ke; Zhou, Xiaoguo; Liu, Shilin

    2016-04-21

    The development of potential probes to identify molecular conformation is essential in organic and biological chemistry. In this work, we investigated a site-specific C-H stretching vibration as a conformational probe for a model compound, 1,1,3,3,3-deuterated n-propanol (CD3CH2CD2OH), using stimulated photoacoustic Raman spectroscopy in the gas phase and conventional spontaneous Raman spectroscopy in the liquid state. Along with quantum chemistry calculations, the experiment shows that the CH2 symmetric stretching mode at the β-carbon position is very sensitive to the conformational structure of n-propanol and can serve as a new probe for all five of its conformers. Compared with the O-H stretching vibration, a well-established conformational sensor for n-propanol, the Cβ-H stretching vibration presented here shows better conformational resolution in the liquid state. Furthermore, using this probe, we investigated the conformational preference of n-propanol in pure liquid and in dilute water solution. It is revealed that in pure liquid, n-propanol molecules prefer the trans-OH conformation, and in dilute water solution, this preference is enhanced, indicating that the water molecules play a role of further stabilizing the trans-OH n-propanol conformers. This leads to conformational evolution that n-propanol molecules with gauche-OH structure are transferred to the trans-OH structure upon diluting with water. These results not only provide important information on structures of n-propanol in different environments, but also demonstrate the potential of the C-H stretching vibration as a new tool for conformational analysis. This is especially important when considering that hydrocarbon chains are structural units in organic and biological molecules.

  16. Warning Statements and Safety Practices among Manufacturers and Distributors of Electronic Cigarette Liquids in the United States.

    Science.gov (United States)

    Fagan, Pebbles; Pokhrel, Pallav; Herzog, Thaddeus A; Guy, Mignonne C; Sakuma, Kari-Lyn K; Trinidad, Dennis R; Cassel, Kevin; Jorgensen, Dorothy; Lynch, Tania; Felicitas-Perkins, Jamie Q; Palafox, Sherilyn; Hamamura, Faith; Maloney, Sarah; Degree, Kaylah; Sterling, Kymberle; Moolchan, Eric; Clanton, Mark S; Eissenberg, Thomas

    2017-05-18

    Prior to the Food and Drug Administration's (FDA) regulation of electronic cigarettes and warning statements related to nicotine addiction, there was no critical examination of manufacturer/distributor voluntary practices that could potentially inform FDA actions aimed to protect consumers. This study examined the content of warning statements and safety characteristics of electronic cigarette liquid bottles using a national sample. Research staff randomly selected four electronic cigarette liquid manufacturers/distributors from four U.S. geographic regions. Staff documented the characteristics of product packaging and content of warning statements on 147 electronic cigarette liquids (0-30 mg/ml of nicotine) purchased online from 16 manufacturers/distributors in April of 2016. Data showed that 97.9% of the electronic cigarette liquid bottles included a warning statement, most of which focused on nicotine exposure rather than health. Only 22.4% of bottles used a warning statement that indicated the product "contained nicotine". Of bottles that advertised a nicotine-based concentration of 12 mg/ml, 26% had a warning statements stated that the product "contains nicotine". None of the statements that indicated that the product "contained nicotine" stated that nicotine was "addictive". All bottles had a safety cap and 12% were in plastic shrink-wrap. Fifty-six percent of the websites had a minimum age requirement barrier that prevented under-aged persons from entering. Most manufacturers/distributors printed a warning statement on electronic cigarette liquid bottles, but avoided warning consumers about the presence and the addictiveness of nicotine. Studies are needed to examine manufacturer/distributor modifications to product packaging and how packaging affects consumer behaviors. These data can inform future FDA requirements related to the packaging and advertising of e-cigarette liquids; regulation related to the content of warning statements, including exposure

  17. Dynamically slow processes in supercooled water confined between hydrophobic plates

    Energy Technology Data Exchange (ETDEWEB)

    Franzese, Giancarlo [Departamento de Fisica Fundamental, Universidad de Barcelona, Diagonal 647, Barcelona 08028 (Spain); Santos, Francisco de los, E-mail: gfranzese@ub.ed, E-mail: fdlsant@ugr.e [Departamento de Electromagnetismo y Fisica de la Materia, Universidad de Granada, Fuentenueva s/n, 18071 Granada (Spain)

    2009-12-16

    We study the dynamics of water confined between hydrophobic flat surfaces at low temperature. At different pressures, we observe different behaviors that we understand in terms of the hydrogen bond dynamics. At high pressure, the formation of the open structure of the hydrogen bond network is inhibited and the surfaces can be rapidly dried (dewetted) by formation of a large cavity with decreasing temperature. At lower pressure we observe strong non-exponential behavior of the correlation function, but with no strong increase of the correlation time. This behavior can be associated, on the one hand, to the rapid ordering of the hydrogen bonds that generates heterogeneities and, on the other hand, to the lack of a single timescale as a consequence of the cooperativity in the vicinity of the liquid-liquid critical point that characterizes the phase diagram at low temperature of the water model considered here. At very low pressures, the gradual formation of the hydrogen bond network is responsible for the large increase of the correlation time and, eventually, the dynamical arrest of the system, with a strikingly different dewetting process, characterized by the formation of many small cavities.

  18. Binding of β-Amyloid (1–42) Peptide to Negatively Charged Phospholipid Membranes in the Liquid-Ordered State: Modeling and Experimental Studies

    OpenAIRE

    Ahyayauch, Hasna; Raab, Michal; Busto, Jon V.; Andraka, Nagore; Arrondo, José-Luis R.; Masserini, Massimo; Tvaroska, Igor; Goñi, Félix M.

    2012-01-01

    To explore the initial stages of amyloid β peptide (Aβ42) deposition on membranes, we have studied the interaction of Aβ42 in the monomeric form with lipid monolayers and with bilayers in either the liquid-disordered or the liquid-ordered (Lo) state, containing negatively charged phospholipids. Molecular dynamics (MD) simulations of the system have been performed, as well as experimental measurements. For bilayers in the Lo state, in the absence of the negatively charged lipids, interaction i...

  19. Perspective on the structure of liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, A., E-mail: nilsson@slac.stanford.edu [Stanford Synchrotron Radiation Lightsource, P.O. Box 20450, Stanford, CA 94309 (United States); Department of Physics, AlbaNova University Center, Stockholm University, S-106 91 Stockholm (Sweden); Pettersson, L.G.M. [Department of Physics, AlbaNova University Center, Stockholm University, S-106 91 Stockholm (Sweden)

    2011-11-07

    Graphical abstract: Liquid water can be described in a fluctuating inhomogeneous picture with two local structural motifs that are spatially separated. At ambient temperatures most molecules favor a closer packing than tetrahedral, with strongly distorted hydrogen bonds giving higher density (yellow), which allows the quantized librational modes to be excited and contribute to the entropy, but with enthalpically favored tetrahedrally bonded water patches appearing as fluctuations (blue), i.e. a competition between entropy and enthalpy. Upon cooling water the amount of molecules participating in tetrahedral structures and the size of the tetrahedral patches increase. Highlights: Black-Right-Pointing-Pointer Two components maximizing either enthalpy (tetrahedral, low-density) or entropy (non-specific H-bonding, higher density). Black-Right-Pointing-Pointer Interconvert discontinuously and ratio depends on temperature. Black-Right-Pointing-Pointer Density fluctuations on 1 nm length scale. Black-Right-Pointing-Pointer Increasing size in supercooled region. Black-Right-Pointing-Pointer Connection to Widom line and 2nd critical point. - Abstract: We present a picture that combines discussions regarding the thermodynamic anomalies in ambient and supercooled water with recent interpretations of X-ray spectroscopy and scattering data of water in the ambient regime. At ambient temperatures most molecules favor a closer packing than tetrahedral, with strongly distorted hydrogen bonds, which allows the quantized librational modes to be excited and contribute to the entropy, but with enthalpically favored tetrahedrally bonded water patches appearing as fluctuations, i.e. a competition between entropy and enthalpy. Upon cooling water the amount of molecules participating in tetrahedral structures and the size of the tetrahedral patches increase. The two local structures are connected to the liquid-liquid critical point hypothesis in supercooled water corresponding to high

  20. Prediction of transport properties of dense gases and liquids by the Peng-Robinson (PR) equation of state

    Science.gov (United States)

    Sheng, W.; Chen, G.-J.; Lu, H.-C.

    1989-01-01

    An attempt is made in this work to combine the Enskog theory of transport properties with the simple cubic Peng-Robinson (PR) equation of state. The PR equation of state provides the density dependence of the equilibrium radial distribution function. A slight empirical modification of the Enskog equation is proposed to improve the accuracy of correlation of thermal conductivity and viscosity coefficient for dense gases and liquids. Extensive comparisons with experimental data of pure fluids are made for a wide range of fluid states with temperatures from 90 to 500 K and pressures from 1 to 740 atm. The total average absolute deviations are 2.67% and 2.02% for viscosity and thermal conductivity predictions, respectively. The proposed procedure for predicting viscosity and thermal conductivity is simple and straightforward. It requires only critical parameters and acentric factors for the fluids.

  1. Scalar quanta in Fermi liquids: Zero sounds, instabilities, Bose condensation, and a metastable state in dilute nuclear matter

    Science.gov (United States)

    Kolomeitsev, E. E.; Voskresensky, D. N.

    2016-12-01

    The spectrum of bosonic scalar-mode excitations in a normal Fermi liquid with local scalar interaction is investigated for various values and momentum dependence of the scalar Landau parameter f0 in the particle-hole channel. For f0 > 0 the conditions are found when the phase velocity on the spectrum of zero sound acquires a minimum at non-zero momentum. For -1 excitations, and for f0 excitations. An effective Lagrangian for the scalar excitation modes is derived after performing a bosonization procedure. We demonstrate that the instability may be tamed by the formation of a static Bose condensate of the scalar modes. The condensation may occur in a homogeneous or inhomogeneous state relying on the momentum dependence of the scalar Landau parameter. We show that in the isospin-symmetric nuclear matter there may appear a metastable state at subsaturation nuclear density owing to the condensate. Then we consider a possibility of the condensation of the zero-sound-like excitations in a state with a non-zero momentum in Fermi liquids moving with overcritical velocities, provided an appropriate momentum dependence of the Landau parameter f0(k) > 0. We also argue that in peripheral heavy-ion collisions the Pomeranchuk instability may occur already for f0 > -1.

  2. Thermal and structural studies of imidazolium-based ionic liquids with and without liquid-crystalline phases: the origin of nanostructure.

    Science.gov (United States)

    Nemoto, Fumiya; Kofu, Maiko; Yamamuro, Osamu

    2015-04-16

    To clarify the origin of the nanostructure of ionic liquids (ILs), we have investigated two series of ILs 1-alkyl-3-methylimidazolium hexafluorophosphate (CnmimPF6, n = 4-16, n is an alkyl-carbon number) and 1-alkyl-3-methylimidazolium chloride (CnmimCl, n = 4-14) using differential scanning calorimetry and X-ray diffraction techniques. The PF6 samples with n > 13 and the Cl samples with n > 10 exhibited the liquid-crystalline (LC) to liquid (L) phase transitions, as reported before. We found that both samples with smaller n also exhibited the LC to L transitions under supercooled states as far as the ionic motions were not frozen-in at the glass transition temperatures Tg. The Tg of the LC phase was close to that of the L phase, indicating that the characteristic length of the glass transition is shorter than that of the nanostructure. A low-Q peak due to the nanostructure in the L phase and a diffraction peak due to the layer structure in the LC phase appeared at almost the same Q positions in both samples. On the basis of the above results and some thermodynamic analysis, we argue that the nanostructures of ILs are essentially the same as the layer structures in the LC phases.

  3. Solid-Liquid Equilibria for Many-component Mixtures Using Cubic-Plus-Association (CPA) equation of state

    DEFF Research Database (Denmark)

    Fettouhi, André; Thomsen, Kaj

    2010-01-01

    In the creation of liquefied natural gas the formation of solids play a substantial role, hence detailed knowledge is needed about solid-liquid equilibria (SLE). In this abstract we shortly summarize the work we have carried out at CERE over the past year with SLE for many-component mixtures using...... the Cubic-Plus-Association (CPA) equation of state. Components used in this work are highly relevant to the oil and gas industry and include light and heavy hydrocarbons, alcohols, water and carbon dioxide....

  4. Solid-state dye-sensitized solar cells using polymerized ionic liquid electrolyte with platinum-free counter electrode.

    Science.gov (United States)

    Kawano, Ryuji; Katakabe, Toru; Shimosawa, Hironobu; Nazeeruddin, Md Khaja; Grätzel, Michael; Matsui, Hiroshi; Kitamura, Takayuki; Tanabe, Nobuo; Watanabe, Masayoshi

    2010-02-28

    A polymerized ionic liquid electrolyte and platinum-free counter electrode are employed for solid-state DSSCs. We are able to prepare a thin polymer electrolyte layer on nanocrystalline TiO(2) in order to reduce the cell resistance. In addition, an electron conductive polymer (PEDOT/PSS) or a single-wall carbon nanotube gel is used with the cell as an inexpensive counter electrode instead of platinum. The overall photon-to-current conversion efficiency was 3.7% in this study.

  5. Influence of gangue existing states in iron ores on the formation and flow of liquid phase during sintering

    Institute of Scientific and Technical Information of China (English)

    Guo-liang Zhang; Sheng-li Wu; Shao-guo Chen; Bo Su; Zhi-gang Que; Chao-gang Hou

    2014-01-01

    Gangue existing states largely affect the high-temperature characteristics of iron ores. Using a micro-sintering method and scan-ning electron microscopy, the effects of gangue content, gangue type, and gangue size on the assimilation characteristics and fluidity of liquid phase of five different iron ores were analyzed in this study. Next, the mechanism based on the reaction between gangues and sintering mate-rials was unraveled. The results show that, as the SiO2 levels increase in the iron ores, the lowest assimilation temperature (LAT) decreases, whereas the index of fluidity of liquid phase (IFL) increases. Below 1.5wt%, Al2O3 benefits the assimilation reaction, but higher concentra-tions proved detrimental. Larger quartz particles increase the SiO2 levels at the local reaction interface between the iron ore and CaO, thereby reducing the LAT. Quartz-gibbsite is more conductive to assimilation than kaolin. Quartz-gibbsite and kaolin gangues encourage the forma-tion of liquid-phase low-Al2O3-SFCA with high IFL and high-Al2O3-SFCA with low IFL, respectively.

  6. Influence of gangue existing states in iron ores on the formation and flow of liquid phase during sintering

    Science.gov (United States)

    Zhang, Guo-liang; Wu, Sheng-li; Chen, Shao-guo; Su, Bo; Que, Zhi-gang; Hou, Chao-gang

    2014-10-01

    Gangue existing states largely affect the high-temperature characteristics of iron ores. Using a micro-sintering method and scanning electron microscopy, the effects of gangue content, gangue type, and gangue size on the assimilation characteristics and fluidity of liquid phase of five different iron ores were analyzed in this study. Next, the mechanism based on the reaction between gangues and sintering materials was unraveled. The results show that, as the SiO2 levels increase in the iron ores, the lowest assimilation temperature (LAT) decreases, whereas the index of fluidity of liquid phase (IFL) increases. Below 1.5wt%, Al2O3 benefits the assimilation reaction, but higher concentrations proved detrimental. Larger quartz particles increase the SiO2 levels at the local reaction interface between the iron ore and CaO, thereby reducing the LAT. Quartz-gibbsite is more conductive to assimilation than kaolin. Quartz-gibbsite and kaolin gangues encourage the formation of liquid-phase low-Al2O3-SFCA with high IFL and high-Al2O3-SFCA with low IFL, respectively.

  7. State-of-the-art of liquid waste disposal for geothermal energy systems: 1979. Report PNL-2404

    Energy Technology Data Exchange (ETDEWEB)

    Defferding, L.J.

    1980-06-01

    The state-of-the-art of geothermal liquid waste disposal is reviewed and surface and subsurface disposal methods are evaluated with respect to technical, economic, legal, and environmental factors. Three disposal techniques are currently in use at numerous geothermal sites around the world: direct discharge into surface waters; deep-well injection; and ponding for evaporation. The review shows that effluents are directly discharged into surface waters at Wairakei, New Zealand; Larderello, Italy; and Ahuachapan, El Salvador. Ponding for evaporation is employed at Cerro Prieto, Mexico. Deep-well injection is being practiced at Larderello; Ahuachapan; Otake and Hatchobaru, Japan; and at The Geysers in California. All sites except Ahuachapan (which is injecting only 30% of total plant flow) have reported difficulties with their systems. Disposal techniques used in related industries are also reviewed. The oil industry's efforts at disposal of large quantities of liquid effluents have been quite successful as long as the effluents have been treated prior to injection. This study has determined that seven liquid disposal methods - four surface and three subsurface - are viable options for use in the geothermal energy industry. However, additional research and development is needed to reduce the uncertainties and to minimize the adverse environmental impacts of disposal. (MHR)

  8. Density of states from mode expansion of the self-dynamic structure factor of a liquid metal

    Science.gov (United States)

    Guarini, E.; Bellissima, S.; Bafile, U.; Farhi, E.; De Francesco, A.; Formisano, F.; Barocchi, F.

    2017-01-01

    We show that by exploiting multi-Lorentzian fits of the self-dynamic structure factor at various wave vectors it is possible to carefully perform the Q →0 extrapolation required to determine the spectrum Z (ω ) of the velocity autocorrelation function of a liquid. The smooth Q dependence of the fit parameters makes their extrapolation to Q =0 a simple procedure from which Z (ω ) becomes computable, with the great advantage of solving the problems related to resolution broadening of either experimental or simulated self-spectra. Determination of a single-particle property like the spectrum of the velocity autocorrelation function turns out to be crucial to understanding the whole dynamics of the liquid. In fact, we demonstrate a clear link between the collective mode frequencies and the shape of the frequency distribution Z (ω ) . In the specific case considered in this work, i.e., liquid Au, analysis of Z (ω ) revealed the presence, along with propagating sound waves, of lower frequency modes that were not observed before by means of dynamic structure factor measurements. By exploiting ab initio simulations for this liquid metal we could also calculate the transverse current-current correlation spectra and clearly identify the transverse nature of the above mentioned less energetic modes. Evidence of propagating transverse excitations has actually been reported in various works in the recent literature. However, in some cases, like the present one, these modes are difficult to detect in density fluctuation spectra. We show here that the analysis of the single-particle dynamics is able to unveil their presence in a very effective way. The properties here shown to characterize Z (ω ) , and the information in it contained therefore allow us to identify it with the density of states (DoS) of the liquid. We demonstrate that only nonhydrodynamic modes contribute to the DoS, thus establishing its purely microscopic origin. Finally, as a by-product of this work, we

  9. Heat capacity of associated systems. Experimental data and application of a two-state model to pure liquids and mixtures.

    Science.gov (United States)

    Cerdeiriña, Claudio A; Troncoso, Jacobo; Gonzalez-Salgado, Diego; García-Miaja, Gonzalo; Hernandez-Segura, Gerardo O; Bessières, David; Medeiros, Milton; Romaní, Luis; Costas, Miguel

    2007-02-08

    The predictions from a recently reported (J. Chem. Phys. 2004, 120, 6648) two-state association model (TSAM) have been tested against experimental data. The temperature, T, and pressure, p, dependence of the isobaric heat capacity, C(p), for three pure alcohols and the temperature dependence at atmospheric pressure of the excess heat capacity, C(p)(E), for four alcohol + ester mixtures have been measured. The branched alcohols were 3-pentanol, 3-methyl-3-pentanol, and 3-ethyl-3-pentanol, and the mixtures were 1-butanol and 3-methyl-3-pentanol mixed with propyl acetate and with butyl formate. These data, together with literature data for alcohol + n-alkane and alcohol + toluene mixtures, have been analyzed using the TSAM. The model, originally formulated for the C(p) of pure liquids, has been extended here to account for the C(p)(E) of mixtures. To evaluate its performance, quantum mechanical ab initio calculations for the H-bond energy, which is one of the model parameters, were performed. The effect of pressure on C(p) for pure liquids was elucidated, and the variety of C(p)(E)(T) behaviors was rationalized. Furthermore, from the C(p) data at various pressures, the behavior of the volume temperature derivative, (deltaV/deltaT)(p), was inferred, with the existence of a (deltaV/deltaT)(p) versus T maximum for pure associated liquids such as the branched alcohols being predicted. It is concluded that the TSAM captures the essential elements determining the behavior of the heat capacity for pure liquids and mixtures, providing insight into the macroscopic manifestation of the association phenomena occurring at the molecular level.

  10. Communication: Protein dynamical transition vs. liquid-liquid phase transition in protein hydration water

    Science.gov (United States)

    Schirò, Giorgio; Fomina, Margarita; Cupane, Antonio

    2013-09-01

    In this work, we compare experimental data on myoglobin hydrated powders from elastic neutron scattering, broadband dielectric spectroscopy, and differential scanning calorimetry. Our aim is to obtain new insights on the connection between the protein dynamical transition, a fundamental phenomenon observed in proteins whose physical origin is highly debated, and the liquid-liquid phase transition (LLPT) possibly occurring in protein hydration water and related to the existence of a low temperature critical point in supercooled water. Our results provide a consistent thermodynamic/dynamic description which gives experimental support to the LLPT hypothesis and further reveals how fundamental properties of water and proteins are tightly related.

  11. Structural evolution in Ni-Nb and Ni-Nb-Ta liquids and glasses - A measure of liquid fragility?

    Energy Technology Data Exchange (ETDEWEB)

    Mauro, N. A.; Johnson, M. L.; Bendert, J. C.; Kelton, K. F. [WU

    2013-01-07

    The structures of Ni59.5Nb40.5, Ni62Nb38, and Ni60Nb30Ta10 liquids and glasses were studied using synchrotron high-energy X-ray diffraction. To avoid reactions between the liquids and their containers and to deeply supercool them below their equilibrium liquidus temperatures, the liquids were processed without a container using the beamline electrostatic levitation (BESL) technique. The total static structure factor, S(q), and the total pair-correlation function, g(r), were obtained for all liquid compositions over a temperature range of approximately 250 °C; S(q) and g(r) were measured for the corresponding glasses at room temperature. All of the S(q)s have a shoulder on the high-q side of the second peak; this becomes more pronounced as the liquid is supercooled, and is most prominent in the glass. Based on a Honeycutt–Andersen analysis of the atomic configurations obtained from Reverse Monte Carlo fits to the total structure factors obtained from the scattering data, icosahedral short-range order (ISRO) is dominant in all liquids and becomes particularly pronounced in the glasses. No correlation is noted, however, between the amount of ISRO and easy glass formability. Structural features show evidence for an acceleration of ordering in the supercooled liquid above the glass transition temperature, consistent with the behavior expected for fragile liquids. This suggests that scattering data can provide a new method to assess liquid fragility, which is typically obtained from the temperature behavior of the viscosity near the glass transition temperature.

  12. Increase in signal-to-noise ratio of > 10,000 times in liquid-state NMR

    Science.gov (United States)

    Ardenkjær-Larsen, Jan H.; Fridlund, Björn; Gram, Andreas; Hansson, Georg; Hansson, Lennart; Lerche, Mathilde H.; Servin, Rolf; Thaning, Mikkel; Golman, Klaes

    2003-09-01

    A method for obtaining strongly polarized nuclear spins in solution has been developed. The method uses low temperature, high magnetic field, and dynamic nuclear polarization (DNP) to strongly polarize nuclear spins in the solid state. The solid sample is subsequently dissolved rapidly in a suitable solvent to create a solution of molecules with hyperpolarized nuclear spins. The polarization is performed in a DNP polarizer, consisting of a super-conducting magnet (3.35 T) and a liquid-helium cooled sample space. The sample is irradiated with microwaves at 94 GHz. Subsequent to polarization, the sample is dissolved by an injection system inside the DNP magnet. The dissolution process effectively preserves the nuclear polarization. The resulting hyperpolarized liquid sample can be transferred to a high-resolution NMR spectrometer, where an enhanced NMR signal can be acquired, or it may be used as an agent for in vivo imaging or spectroscopy. In this article we describe the use of the method on aqueous solutions of [13C]urea. Polarizations of 37% for 13C and 7.8% for 15N, respectively, were obtained after the dissolution. These polarizations correspond to an enhancement of 44,400 for 13C and 23,500 for 15N, respectively, compared with thermal equilibrium at 9.4 T and room temperature. The method can be used generally for signal enhancement and reduction of measurement time in liquid-state NMR and opens up for a variety of in vitro and in vivo applications of DNP-enhanced NMR. HR ALIGN=LEFT WIDTH=50% NOSHADE SIZE=1>

  13. Long-Lived Heteronuclear Spin-Singlet States in Liquids at a Zero Magnetic field

    Science.gov (United States)

    Emondts, M.; Ledbetter, M. P.; Pustelny, S.; Theis, T.; Patton, B.; Blanchard, J. W.; Butler, M. C.; Budker, D.; Pines, A.

    2014-02-01

    We report an observation of long-lived spin-singlet states in a C-H113 spin pair in a zero magnetic field. In C13-labeled formic acid, we observe spin-singlet lifetimes as long as 37 s, about a factor of 3 longer than the T1 lifetime of dipole polarization in the triplet state. In contrast to common high-field experiments, the observed coherence is a singlet-triplet coherence with a lifetime T2 longer than the T1 lifetime of dipole polarization in the triplet manifold. Moreover, we demonstrate that heteronuclear singlet states formed between a H1 and a C13 nucleus can exhibit longer lifetimes than the respective triplet states even in the presence of additional spins that couple to the spin pair of interest. Although long-lived homonuclear spin-singlet states have been extensively studied, this is the first experimental observation of analogous singlet states in heteronuclear spin pairs.

  14. Raman Spectra and Nucleation Rates of Sulfuric Acid and Ammonium Sulfate Aerosols Supercooled with Respect to Ice

    Science.gov (United States)

    Knopf, D. A.; Koop, T.; Weers, U. G.; Krieger, U. K.; Peter, T.

    2001-12-01

    Sulfuric acid and ammonium sulfate aerosol particles can serve as ice condensation nuclei for the formation of upper tropospheric cirrus clouds. These clouds influence the global radiation budget by scattering of short wavelength (solar) radiation as well as by absorbing long wavelength (terrestrial) radiation. Knowledge of the thermodynamics and the nucleation rates of aerosols is fundamental for the understanding of formation processes of cirrus clouds. Here, we present a new investigation tool to observe phase transitions of aerosols supercooled with respect to ice. Confocal Raman microscopy is used to determine the phase changes and the morphology of the particles. Raman spectroscopy is employed to distinguish and to characterize the different phases inside the frozen particles. Single droplets with a diameter of typically 20-120 μ m are deposited on a hydrophobically coated Herasil-plate that is covered by a spacer and another plate. Since the gas phase volume of the cell is small compared to the liquid droplet volume the composition of the droplets remains fixed during temperature changes. The temperature of the droplets can be varied between 150-350~K. We present the first Raman spectra of aqueous H2SO4/H2O and (NH4)2SO4/H2O droplets for several concentrations and temperatures to the homogeneous ice nucleation limits. The analysis of the speciation of the components inside the droplets (e.g. sulfate vs. bisulfate ions) is compared to results from thermodynamic models. Evaluation of the freezing data gives upper limits for ice nucleation rates of droplets as a function of sulfuric acid or ammonium sulfate concentration.

  15. Local order evolution of liquid Cu during glass transition under different pressures: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Li, Y.D., E-mail: ydli@ustc.edu [School of Physics and Material Science, Anhui University, Hefei 230039 (China); Lu, Q.L. [School of Physics and Material Science, Anhui University, Hefei 230039 (China); Wang, C.C., E-mail: ccwang@ahu.edu.cn [School of Physics and Material Science, Anhui University, Hefei 230039 (China); Huang, S.G. [School of Physics and Material Science, Anhui University, Hefei 230039 (China); Liu, C.S. [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, P. O. Box 1129, Hefei 230031 (China)

    2013-01-01

    Based on the second-moment approximation of tight-binding scheme, constant-pressure molecular dynamics simulations are performed for liquid Cu during the glass transition under different pressures. By means of pair analysis technique and bond orientational order analysis we find that the dominant bond pairs are those related to fcc and hcp crystalline order not those representing icosahedral short-range order (ISRO) when the systems enter into glass transition region. Although these two kinds of bond pairs compete with each other, the system tends towards a mixture of crystalline bond pairs during glass formation. The effect on various bond pairs brought about by higher pressure is much less for liquids than for glasses. The experimental observation of a shoulder on the second peak of the structure factor for supercooled liquids might not merely attribute to ISRO, since supercooled liquid Cu exhibits such a shoulder, but does not display an enhanced icosahedral symmetry.

  16. Research on polarization state of prism coupler sensor for measuring liquid refractive index

    Science.gov (United States)

    Zhang, Zhi-Wei

    2013-09-01

    Due to many experimental data required and a lot of calculations involved, it is very complex and cumbersome to model prism-based liquid-refractive-index-measuring methods. By use of the feature of TE-polarized wave and TM-polarized wave and differential measurement principle, we developed a new method of mathematical modeling for measuring refractive index of a liquid based upon Fresnel formula and prism internal reflection at incident angle less than critical angle. With this method only two different concentrations measurements for a kind of solution can lead to the determination of computational model. It introduces the principle of an optic-fiber sensor system based on prism-coupler for measuring refractive index of a liquid, and it contains the configuration picture of the sensing optical path, the spectrogram of the semiconductor laser and the structure block diagram of measuring system, the system is mainly made up of the semiconductor laser with 1654.14nm in wavelength, 1×2 optical switch, Y-shaped photo-coupler with coupled rate 50:50, the detector based on isosceles prism-coupler, the data process and control system based on AT89C51 and photoelectric transformer. For TM-polarized wave and TE-polarized wave, theoretical simulations show that the ratio of sensitivity is 1.11, therefore, the beam that the component of TM-polarized wave is more than the one of TE-polarized wave is advantageous to heightening the systemۥs measurement sensitivity. Measurements are performed to examine the validity of the theoretical model and four theoretical models are given, and these results indicate the feasibility of four theoretical models with an error of 3%. In this study, a beam of light is broken down into two beams in the coupler of Y-shaped coupler, the one acts as the reference optical path, the other is known as the sensing optical path, consequently the method can limit well the fluctuation of the light source, the variation of the photodiodeۥ s dark

  17. Probing site-specific 13C/15N-isotope enrichment of spider silk with liquid-state NMR spectroscopy.

    Science.gov (United States)

    Shi, Xiangyan; Yarger, Jeffery L; Holland, Gregory P

    2013-05-01

    Solid-state nuclear magnetic resonance (NMR) has been extensively used to elucidate spider silk protein structure and dynamics. In many of these studies, site-specific isotope enrichment is critical for designing particular NMR methods for silk structure determination. The commonly used isotope analysis techniques, isotope-ratio mass spectroscopy and liquid/gas chromatography-mass spectroscopy, are typically not capable of providing the site-specific isotope information for many systems because an appropriate sample derivatization method is not available. In contrast, NMR does not require any sample derivatization or separation prior to analysis. In this article, conventional liquid-state (1)H NMR was implemented to evaluate incorporation of (13)C/(15)N-labeled amino acids in hydrolyzed spider dragline silk. To determine site-specific (13)C and (15)N isotope enrichments, an analysis method was developed to fit the (1)H-(13)C and (1)H-(15)N J-splitting (J CH and J NH) (1)H NMR peak patterns of hydrolyzed silk fiber. This is demonstrated for Nephila clavipes spiders, where [U-(13)C3,(15)N]-Ala and [1-(13)C,(15)N]-Gly were dissolved in their water supplies. Overall, contents for Ala and Gly isotopomers are extracted for these silk samples. The current methodology can be applied to many fields where site-specific tracking of isotopes is of interest.

  18. π-electron S = ½ quantum spin-liquid state in an ionic polyaromatic hydrocarbon

    Science.gov (United States)

    Takabayashi, Yasuhiro; Menelaou, Melita; Tamura, Hiroyuki; Takemori, Nayuta; Koretsune, Takashi; Štefančič, Aleš; Klupp, Gyöngyi; Buurma, A. Johan C.; Nomura, Yusuke; Arita, Ryotaro; Arčon, Denis; Rosseinsky, Matthew J.; Prassides, Kosmas

    2017-07-01

    Molecular solids with cooperative electronic properties based purely on π electrons from carbon atoms offer a fertile ground in the search for exotic states of matter, including unconventional superconductivity and quantum magnetism. The field was ignited by reports of high-temperature superconductivity in materials obtained by the reaction of alkali metals with polyaromatic hydrocarbons, such as phenanthrene and picene, but the composition and structure of any compound in this family remained unknown. Here we isolate the binary caesium salts of phenanthrene, Cs(C14H10) and Cs2(C14H10), to show that they are multiorbital strongly correlated Mott insulators. Whereas Cs2(C14H10) is diamagnetic because of orbital polarization, Cs(C14H10) is a Heisenberg antiferromagnet with a gapped spin-liquid state that emerges from the coupled highly frustrated Δ-chain magnetic topology of the alternating-exchange spiral tubes of S = ½ (C14H10)•- radical anions. The absence of long-range magnetic order down to 1.8 K (T/J ≈ 0.02 J is the dominant exchange constant) renders the compound an excellent candidate for a spin-½ quantum-spin liquid (QSL) that arises purely from carbon π electrons.

  19. Fermi liquid behavior of the in-plane resistivity in the pseudogap state of YBa2Cu4O8

    Science.gov (United States)

    Proust, Cyril; Vignolle, Baptiste; Levallois, Julien; Adachi, S.; Hussey, Nigel E.

    2016-11-01

    Our knowledge of the ground state of underdoped hole-doped cuprates has evolved considerably over the last few years. There is now compelling evidence that, inside the pseudogap phase, charge order breaks translational symmetry leading to a reconstructed Fermi surface made of small pockets. Quantum oscillations [Doiron-Leyraud N, et al. (2007) Nature 447(7144):565-568], optical conductivity [Mirzaei SI, et al. (2013) Proc Natl Acad Sci USA 110(15):5774-5778], and the validity of Wiedemann-Franz law [Grissonnache G, et al. (2016) Phys Rev B 93:064513] point to a Fermi liquid regime at low temperature in the underdoped regime. However, the observation of a quadratic temperature dependence in the electrical resistivity at low temperatures, the hallmark of a Fermi liquid regime, is still missing. Here, we report magnetoresistance measurements in the magnetic-field-induced normal state of underdoped YBa2Cu4O8 that are consistent with a T2 resistivity extending down to 1.5 K. The magnitude of the T2 coefficient, however, is much smaller than expected for a single pocket of the mass and size observed in quantum oscillations, implying that the reconstructed Fermi surface must consist of at least one additional pocket.

  20. Clogging of Joule-Thomson Devices in Liquid Hydrogen Handling

    Science.gov (United States)

    Jurns, John M.; Lekki, John D.

    2009-01-01

    Experiments conducted at the NASA Glenn Research Center indicate that Joule-Thomson devices become clogged when transferring liquid hydrogen (LH2), operating at a temperature range from 20.5 to 24.4 K. Blockage does not exist under all test conditions but is found to be sensitive to the inlet temperature of the LH2. At a subcooled inlet temperature of 20.5 K blockage consistently appears but is dissipated when the fluid temperature is raised above 24.5 K. Clogging steadily reduced flow rate through the orifices, eventually resulting in complete blockage. This tendency poses a threat to spacecraft cryogenic propulsion systems that would utilize passive thermal control systems. We propose that this clogging is due to trace amounts of neon in the regular LH2 supply. Neon freezes at 24.5 K at one atmosphere pressure. It is postulated that between 20.5 and 24.5 K, neon remains in a meta-stable, supercooled liquid state. When impacting the face of an orifice, liquid neon droplets solidify and accumulate, blocking flow over time. The purpose of this test program was to definitively quantify the phenomena experimentally by obtaining direct visual evidence of orifice clogging by accretion from neon contaminates in the LH2 flow stream, utilizing state of the art imaging technology. Tests were conducted with LH2 flowing in the temperature range of 20.5 to 24.4 K. Additional imaging was also done at LH2 temperatures with no flow to verify clear view through the orifice.

  1. Viscosity properties and strong liquid behavior of Pr60Ni25Al15 bulk metallic glass-forming liquids

    Institute of Scientific and Technical Information of China (English)

    WANG Dan; ZHANG Di; WANG ShuYing; NING QianYan; ZHENG CaiPing; YAN Yuan; LIU Jia; SUN MinHua

    2008-01-01

    Pr60Ni25Al15 bulk metallic glass in a cuboid form with dimensions of 2 mm×2 mm×55 mm by copper mold casting method was cast.The dynamic viscosity near the glass transition region for Pr60Ni25Al15 was measured by three-point beam bending methods.The fragility parameter m and activation energy for viscous flow of the liquid sample were calculated to be: m = 31.66, E= 10689.17 K, respectively.It was shown that the supercooled liquid of Pr60Ni25Al15 alloy behaved much closer to strong glasses.The variation of active energy with temperature in supercooled liquid was analyzed.It was found that Kivelson's super-Arrhenius equation is not suitable for description of the activation energy in a supercooled region of Bulk metallic glass, and there is a direct proportion between activation energy crystal-lization and activation energy of viscous flow.

  2. Viscosity properties and strong liquid behavior of Pr60Ni25Al15 bulk metallic glass-forming liquids

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Pr60Ni25Al15 bulk metallic glass in a cuboid form with dimensions of 2 mm×2 mm×55 mm by copper mold casting method was cast. The dynamic viscosity near the glass transition region for Pr60Ni25Al15 was measured by three-point beam bending methods. The fragility parameter m and activation energy for viscous flow of the liquid sample were calculated to be:m=31.66,E=10689.17 K,respectively. It was shown that the supercooled liquid of Pr60Ni25Al15 alloy behaved much closer to strong glasses. The variation of active energy with temperature in supercooled liquid was analyzed. It was found that Kivelson’s super-Arrhenius equation is not suitable for description of the activation energy in a supercooled region of Bulk metallic glass,and there is a direct proportion between activation energy crystal-lization and activation energy of viscous flow.

  3. Long-lived heteronuclear spin-singlet states in liquids at a zero magnetic field.

    Science.gov (United States)

    Emondts, M; Ledbetter, M P; Pustelny, S; Theis, T; Patton, B; Blanchard, J W; Butler, M C; Budker, D; Pines, A

    2014-02-21

    We report an observation of long-lived spin-singlet states in a 13C-1H spin pair in a zero magnetic field. In 13C-labeled formic acid, we observe spin-singlet lifetimes as long as 37 s, about a factor of 3 longer than the T1 lifetime of dipole polarization in the triplet state. In contrast to common high-field experiments, the observed coherence is a singlet-triplet coherence with a lifetime T2 longer than the T1 lifetime of dipole polarization in the triplet manifold. Moreover, we demonstrate that heteronuclear singlet states formed between a 1H and a 13C nucleus can exhibit longer lifetimes than the respective triplet states even in the presence of additional spins that couple to the spin pair of interest. Although long-lived homonuclear spin-singlet states have been extensively studied, this is the first experimental observation of analogous singlet states in heteronuclear spin pairs.

  4. Scaling of viscous dynamics in simple liquids

    DEFF Research Database (Denmark)

    Bøhling, Lasse; Ingebrigtsen, Trond; Grzybowski, A.

    2012-01-01

    Supercooled liquids are characterized by relaxation times that increase dramatically by cooling or compression. From a single assumption follows a scaling law according to which the relaxation time is a function of h(ρ) over temperature, where ρ is the density and the function h(ρ) depends...... on the liquid in question. This scaling is demonstrated to work well for simulations of the Kob–Andersen binary Lennard-Jones mixture and two molecular models, as well as for the experimental results for two van der Waals liquids, dibutyl phthalate and decahydroisoquinoline. The often used power-law density...... scaling, h(ρ)∝ργ, is an approximation to the more general form of scaling discussed here. A thermodynamic derivation was previously given for an explicit expression for h(ρ) for liquids of particles interacting via the generalized Lennard-Jones potential. Here a statistical mechanics derivation is given...

  5. Studies of a dynamic type ice storage system using supercooled water; Kareikyakusui riyo dainamikku gata shochikunetsu shisutemu no kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Ito, S.; Hashimoto, A.; Miura, N. [Kanagawa Inst. of Tech., Kanagawa (Japan); Ikemoto, Y.

    1999-11-25

    An ice storage system using supercooled water was constructed and the performance was tested. The system was consisted of a storage tank with the volume of 1.2 m{sup 3} in which slurry-ice was stared, a spiral double-tube heat exchanger 22 m long for making supercooled water by brine, a refrigerating machine of the rated capacity of 2.2 kW, reservoirs for cold and hot brine, heaters, and pumps. The system was able to be operated for more than 5 hours without freezing mostly if the degree of supercooling was less than about 2 degree C. The COPs based on the power of the refrigerating machine and system were about 1.3 and 0.7, respectively. (author)

  6. State-of-the-Art of Extreme Pressure Lubrication Realized with the High Thermal Diffusivity of Liquid Metal.

    Science.gov (United States)

    Li, Haijiang; Tian, Pengyi; Lu, Hongyu; Jia, Wenpeng; Du, Haodong; Zhang, Xiangjun; Li, Qunyang; Tian, Yu

    2017-02-15

    Sliding between two objects under very high load generally involves direct solid-solid contact at molecular/atomic level, the mechanism of which is far from clearly disclosed yet. Those microscopic solid-solid contacts could easily lead to local melting of rough surfaces. At extreme conditions, this local melting could propagate to the seizure and welding of the entire interface. Traditionally, the microscopic solid-solid contact is alleviated by various lubricants and additives based on their improved mechanical properties. In this work, we realized the state-of-the-art of extreme pressure lubrication by utilizing the high thermal diffusivity of liquid metal, 2 orders of magnitude higher than general organic lubricants. The extreme pressure lubrication property of gallium based liquid metal (GBLM) was compared with gear oil and poly-α-olefin in a four-ball test. The liquid metal lubricates very well at an extremely high load (10 kN, the maximum capability of a four-ball tester) at a rotation speed of 1800 rpm for a duration of several minutes, much better than traditional organic lubricants which typically break down within seconds at a load of a few kN. Our comparative experiments and analysis showed that this superextreme pressure lubrication capability of GBLM was attributed to the synergetic effect of the ultrafast heat dissipation of GBLM and the low friction coefficient of FeGa3 tribo-film. The present work demonstrated a novel way of improving lubrication capability by enhancing the lubricant thermal properties, which might lead to mechanical systems with much higher reliability.

  7. Experimental investigations on prototype heat storage units utilizing stable supercooling of sodium acetate trihydrate mixtures

    DEFF Research Database (Denmark)

    Dannemand, Mark; Dragsted, Janne; Fan, Jianhua;

    2016-01-01

    was filled with 220 kg SAT mixture thickened with 1% carboxymethyl cellulose. The heat exchange capacity rate during the charging of the unit with the extra water was significantly higher than for the unit with the thickening agent due to the different levels of convection. The SAT mixtures in the units were......Laboratory tests of two heat storage units based on the principle of stable supercooling of sodium acetate trihydrate (SAT) mixtures were carried out. One unit was filled with 199.5 kg of SAT with 9% extra water to avoid phase separation of the incongruently melting salt hydrate. The other unit...

  8. Lovastatin biosynthetic genes of Aspergillus terreus are expressed differentially in solid-state and in liquid submerged fermentation.

    Science.gov (United States)

    Barrios-González, J; Baños, J G; Covarrubias, A A; Garay-Arroyo, A

    2008-05-01

    Molecular studies were performed to establish the causes of the superior lovastatin productivity of a novel solid-state fermentation (SSF) process, in relation with liquid submerged fermentation (SmF; 20 mg/g vs. 0.65 mg/ml). In SSF, biosynthetic genes lovE and lovF transcripts accumulated to high levels from day 1 to day 7. In this period, lovE transcript showed 4.6-fold higher accumulation levels (transcription) than the highest level detected in SmF (day 5). lovF transcript showed two-fold higher expression than the highest point in SmF. In SmF, the expression was only detected clearly on day 5 and, showing a 50% decrease, on day 7. These results show that the higher lovastatin production in SSF is related to a more intense transcription of these biosynthetic genes. A strong expression of gldB gene in lovastatin SSF indicated that Aspergillus terreus senses osmotic stress during the course of SSF, but not in SmF. However, when a liquid medium of identical concentration was used in SmF, lovastatin production decreased in SSF.

  9. Weak links between fast mobility and local structure in molecular and atomic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Bernini, S. [Dipartimento di Fisica “Enrico Fermi,” Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa (Italy); Puosi, F. [Laboratoire de Physique de l’École Normale Supérieure de Lyon, UMR CNRS 5672, 46 allée d’Italie, 69007 Lyon (France); Leporini, D., E-mail: dino.leporini@df.unipi.it [Dipartimento di Fisica “Enrico Fermi,” Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa (Italy); IPCF-CNR, UOS Pisa, Pisa (Italy)

    2015-03-28

    We investigate by molecular-dynamics simulations, the fast mobility—the rattling amplitude of the particles temporarily trapped by the cage of the neighbors—in mildly supercooled states of dense molecular (linear trimers) and atomic (binary mixtures) liquids. The mixture particles interact by the Lennard-Jones potential. The non-bonded particles of the molecular system are coupled by the more general Mie potential with variable repulsive and attractive exponents in a range which is a characteristic of small n-alkanes and n-alcohols. Possible links between the fast mobility and the geometry of the cage (size and shape) are searched. The correlations on a per-particle basis are rather weak. Instead, if one groups either the particles in fast-mobility subsets or the cages in geometric subsets, the increase of the fast mobility with both the size and the asphericity of the cage is revealed. The observed correlations are weak and differ in states with equal relaxation time. Local forces between a tagged particle and the first-neighbour shell do not correlate with the fast mobility in the molecular liquid. It is concluded that the cage geometry alone is unable to provide a microscopic interpretation of the known, universal link between the fast mobility and the slow structural relaxation. We suggest that the particle fast dynamics is affected by regions beyond the first neighbours, thus supporting the presence of collective, extended fast modes.

  10. Electrodeposited polyethylenedioxythiophene with infiltrated gel electrolyte interface: a close contest of an all-solid-state supercapacitor with its liquid-state counterpart

    Science.gov (United States)

    Anothumakkool, Bihag; Torris A. T, Arun; Bhange, Siddheshwar N.; Badiger, Manohar V.; Kurungot, Sreekumar

    2014-05-01

    We report the design of an all-solid-state supercapacitor, which has charge storage characteristics closely matching that of its liquid-state counterpart even under extreme temperature and humidity conditions. The prototype is made by electro-depositing polyethylenedioxythiophene (PEDOT) onto the individual carbon fibers of a porous carbon substrate followed by intercalating the matrix with polyvinyl alcohol-sulphuric acid (PVA-H2SO4) gel electrolyte. The electrodeposited layer of PEDOT maintained a flower-like growth pattern along the threads of each carbon fiber. This morphology and the alignment of PEDOT led to an enhanced surface area and electrical conductivity, and the pores in the system enabled effective intercalation of the polymer-gel electrolyte. Thus, the established electrode-electrolyte interface nearly mimics that of its counterpart based on the liquid electrolyte. Consequently, the solid device attained very low internal resistance (1.1 Ω cm-2) and a high specific capacitance (181 F g-1) for PEDOT at a discharge current density of 0.5 A g-1. Even with a high areal capacitance of 836 mF cm-2 and volumetric capacitance of 28 F cm-3, the solid device retained a mass-specific capacitance of 111 F g-1 for PEDOT. This is in close agreement with the value displayed by the corresponding liquid-state system (112 F g-1), which was fabricated by replacing the gel electrolyte with 0.5 M H2SO4. The device also showed excellent charge-discharge stability for 12 000 cycles at 5 A g-1. The performance of the device was consistent even under wide-ranging humidity (30-80%) and temperature (-10 to 80 °C) conditions. Finally, a device fabricated by increasing the electrode area four times was used to light an LED, which validated the scalability of the process.We report the design of an all-solid-state supercapacitor, which has charge storage characteristics closely matching that of its liquid-state counterpart even under extreme temperature and humidity conditions

  11. Non-Ising-like effects in the liquid-vapor transition: Equations of state

    Science.gov (United States)

    Vause, C.; Sak, J.

    1980-06-01

    A Landau-Ginzburg-Wilson model is derived for a single-component fluid whose particles interact via a two-body potential. The effective Hamiltonian contains both even and odd powers in the order parameter (local fluid density). We study the effect of quintic interactions absent in the Ising model, and characterized by a new exponent φ5, on various singular thermodynamic functions near the critical point. Mean-field, scaling, and renormalization-group (in d=4-ɛ dimensions) theories are used to evaluate the non-Ising effects due to φ5. One of the main results of the asymmetry in this model is that it produces the leading singularity of the liquid-vapor coexistence diameter near the critical point: |t|β-φ5, where β is the usual order-parameter exponent and t is the reduced temp˙erature. The singularity |t|1-α (α being the specific heat exponent) predicted by earlier phenomenological theories is not present in this theory. The problems associated with observing the non-Ising effects are briefly discussed.

  12. Summary of the Second Workshop on Liquid Argon Time Projection Chamber Research and Development in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Acciarri, R. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); et al.

    2015-04-21

    The second workshop to discuss the development of liquid argon time projection chambers (LArTPCs) in the United States was held at Fermilab on July 8-9, 2014. The workshop was organized under the auspices of the Coordinating Panel for Advanced Detectors, a body that was initiated by the American Physical Society Division of Particles and Fields. All presentations at the workshop were made in six topical plenary sessions: i) Argon Purity and Cryogenics, ii) TPC and High Voltage, iii) Electronics, Data Acquisition and Triggering, iv) Scintillation Light Detection, v) Calibration and Test Beams, and vi) Software. This document summarizes the current efforts in each of these areas. It primarily focuses on the work in the US, but also highlights work done elsewhere in the world.

  13. Solid-liquid state pressure bonding of Si3N4 ceramics with aluminum based alloys and its mechanism

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Solid-liquid state pressure bonding of Si3N4 ceramics with aluminum based alloys, which contain a small amount of intermetallic compounds Al3Ti or Al3Zr, was investigated. With this new method, the heat resistant properties of the bonding zone metal are improved, and the joints' strengths at high temperature is increased. The joints' shear strength at room temperature and at 600  ℃ reach 126~133  MPa and 32~34  MPa, respectively, with suitable bonding pressure. The reaction between aluminum and Si3N4 ceramics, which produces Al-Si-N-O type compounds is the dominant interfacial reaction, while the reactions between the second active element Ti or Zr in the aluminum based alloys and Si3N4 ceramics also occur to some extend.

  14. Summary of the Second Workshop on Liquid Argon Time Projection Chamber Research and Development in the United States

    CERN Document Server

    Acciarri, R; Artrip, D; Baller, B; Bromberg, C; Cavanna, F; Carls, B; Chen, H; Deptuch, G; Epprecht, L; Dharmapalan, R; Foreman, W; Hahn, A; Johnson, M; Jones, B J P; Junk, T; Lang, K; Lockwitz, S; Marchionni, A; Mauger, C; Montanari, C; Mufson, S; Nessi, M; Back, H Olling; Petrillo, G; Pordes, S; Raaf, J; Rebel, B; Sinins, G; Soderberg, M; Spooner, N J C; Stancari, M; Strauss, T; Terao, K; Thorn, C; Tope, T; Toups, M; Urheim, J; Van de Water, R; Wang, H; Wasserman, R; Weber, M; Whittington, D; Yang, T

    2015-01-01

    The second workshop to discuss the development of liquid argon time projection chambers (LArTPCs) in the United States was held at Fermilab on July 8-9, 2014. The workshop was organized under the auspices of the Coordinating Panel for Advanced Detectors, a body that was initiated by the American Physical Society Division of Particles and Fields. All presentations at the workshop were made in six topical plenary sessions: $i)$ Argon Purity and Cryogenics, $ii)$ TPC and High Voltage, $iii)$ Electronics, Data Acquisition and Triggering, $iv)$ Scintillation Light Detection, $v)$ Calibration and Test Beams, and $vi)$ Software. This document summarizes the current efforts in each of these areas. It primarily focuses on the work in the US, but also highlights work done elsewhere in the world.

  15. A versatile platform for manipulating photonic spin and orbital states based on liquid crystal microstructures (Conference Presentation)

    Science.gov (United States)

    Lu, Yan-Qing; Hu, Wei; Ming, Yang

    2016-09-01

    Utilizing the spin degree of freedom breaks new ground for designing photonic devices. Seeking out a suitable platform for flexible steering of photonic spin states is a critical task. In this work, we demonstrate a versatile Liquid crystal (LC) based platform for manipulating photonic spin and orbital states. Owing to the photoalignment technique, the local and fine tuning of the LC medium is effectively implemented to form various anisotropic microstructures. The light-matter interaction in the corresponding medium is tailored to control the evolution of photonic spin states. The physical mechanism of such a system is investigated, and the corresponding dynamical equation is obtained. The high flexibility endows the LC-based photonic system with great value to be used for Hamiltonian engineering. As an illustration, the optical analogue of intrinsic spin Hall effect (SHE) in electronic systems is presented. The pseudospins of photons are driven to split by the anisotropic effective magnetic field arising from the inhomogeneous spin-orbit interaction (SOI) in the twisting microstructures. In virtue of the designability of the LC-based platform, the form of the interaction Hamiltonian is regulated to present diverse PSHE phenomena, which is hard to be realized in the solid electronic systems. Some representative samples are prepared for experimental observation, and the results are in good agreement with theoretical predictions. We believe the tunable LC system may shed new light on future photonic quantum applications.

  16. Key study on the potential of hydrazine bisborane for solid- and liquid-state chemical hydrogen storage.

    Science.gov (United States)

    Pylypko, Sergii; Petit, Eddy; Yot, Pascal G; Salles, Fabrice; Cretin, Marc; Miele, Philippe; Demirci, Umit B

    2015-05-04

    Hydrazine bisborane N2H4(BH3)2 (HBB; 16.8 wt %) recently re-emerged as a potential hydrogen storage material. However, such potential is controversial: HBB was seen as a hazardous compound up to 2010, but now it would be suitable for hydrogen storage. In this context, we focused on fundamentals of HBB because they are missing in the literature and should help to shed light on its effective potential while taking into consideration any risk. Experimental/computational methods were used to get a complete characterization data sheet, including, e.g., XRD, NMR, FTIR, Raman, TGA, and DSC. From the reported results and discussion, it is concluded that HBB has potential in the field of chemical hydrogen storage given that both thermolytic and hydrolytic dehydrogenations were analyzed. In solid-state chemical hydrogen storage, it cannot be used in the pristine state (risk of explosion during dehydrogenation) but can be used for the synthesis of derivatives with improved dehydrogenation properties. In liquid-state chemical hydrogen storage, it can be studied for room-temperature dehydrogenation, but this requires the development of an active and selective metal-based catalyst. HBB is a thus a candidate for chemical hydrogen storage.

  17. Remote Sensing of Supercooled Cloud Layers in Cold Climate Using Ground Based Integrated Sensors System and Comparison with Pilot Reports and model forecasts

    Science.gov (United States)

    Boudala, Faisal; Wu, Di; Gultepe, Ismail; Anderson, Martha; turcotte, marie-france

    2017-04-01

    In-flight aircraft icing is one of the major weather hazards to aviation . It occurs when an aircraft passes through a cloud layer containing supercooled drops (SD). The SD in contact with the airframe freezes on the surface which degrades the performance of the aircraft.. Prediction of in-flight icing requires accurate prediction of SD sizes, liquid water content (LWC), and temperature. The current numerical weather predicting (NWP) models are not capable of making accurate prediction of SD sizes and associated LWC. Aircraft icing environment is normally studied by flying research aircraft, which is quite expensive. Thus, developing a ground based remote sensing system for detection of supercooled liquid clouds and characterization of their impact on severity of aircraft icing one of the important tasks for improving the NWPs based predictions and validations. In this respect, Environment and Climate Change Canada (ECCC) in cooperation with the Department of National Defense (DND) installed a number of specialized ground based remote sensing platforms and present weather sensors at Cold Lake, Alberta that includes a multi-channel microwave radiometer (MWR), K-band Micro Rain radar (MRR), Ceilometer, Parsivel distrometer and Vaisala PWD22 present weather sensor. In this study, a number of pilot reports confirming icing events and freezing precipitation that occurred at Cold Lake during the 2014-2016 winter periods and associated observation data for the same period are examined. The icing events are also examined using aircraft icing intensity estimated using ice accumulation model which is based on a cylindrical shape approximation of airfoil and the Canadian High Resolution Regional Deterministic Prediction System (HRDPS) model predicted LWC, median volume diameter and temperature. The results related to vertical atmospheric profiling conditions, surface observations, and the Canadian High Resolution Regional Deterministic Prediction System (HRDPS) model

  18. Dynamic states of swimming bacteria in a nematic liquid crystal cell with homeotropic alignment

    Science.gov (United States)

    Zhou, Shuang; Tovkach, Oleh; Golovaty, Dmitry; Sokolov, Andrey; Aranson, Igor S.; Lavrentovich, Oleg D.

    2017-05-01

    Flagellated bacteria such as Escherichia coli and Bacillus subtilis exhibit effective mechanisms for swimming in fluids and exploring the surrounding environment. In isotropic fluids such as water, the bacteria change swimming direction through the run-and-tumble process. Lyotropic chromonic liquid crystals (LCLCs) have been introduced recently as an anisotropic environment in which the direction of preferred orientation, the director, guides the bacterial trajectories. In this work, we describe the behavior of bacteria B. subtilis in a homeotropic LCLC geometry, in which the director is perpendicular to the bounding plates of a shallow cell. We demonstrate that the bacteria are capable of overcoming the stabilizing elastic forces of the LCLC and swim perpendicularly to the imposed director (and parallel to the bounding plates). The effect is explained by a finite surface anchoring of the director at the bacterial body; the role of surface anchoring is analyzed by numerical simulations of a rod realigning in an otherwise uniform director field. Shear flows produced by a swimming bacterium cause director distortions around its body, as evidenced both by experiments and numerical simulations. These distortions contribute to a repulsive force that keeps the swimming bacterium at a distance of a few micrometers away from the bounding plates. The homeotropic alignment of the director imposes two different scenarios of bacterial tumbling: one with an 180° reversal of the horizontal velocity and the other with the realignment of the bacterium by two consecutive 90° turns. In the second case, the angle between the bacterial body and the imposed director changes from 90° to 0° and then back to 90° the new direction of swimming does not correlate with the previous swimming direction.

  19. Nano-Sponge Ionic Liquid-Polymer Composite Electrolytes for Solid-State Lithium Power Sources

    Science.gov (United States)

    2010-01-01

    Journal of Power Sources 195 (2010) 867–871 Contents lists available at ScienceDirect Journal of Power Sources journa l homepage: www.e lsev ier .com...locate / jpowsour Short communication Nano-sponge ionic liquid–polymer composite electrolytes for solid-state lithium power sources Kang-Shyang...As storage becomesmore important in alternative technologies, these systems are evolving the need for safe, compact, rechargeable power sources continues

  20. Numerical investigation on super-cooled large droplet icing of fan rotor blade in jet engine

    Science.gov (United States)

    Isobe, Keisuke; Suzuki, Masaya; Yamamoto, Makoto

    2014-10-01

    Icing (or ice accretion) is a phenomenon in which super-cooled water droplets impinge and accrete on a body. It is well known that ice accretion on blades and vanes leads to performance degradation and has caused severe accidents. Although various anti-icing and deicing systems have been developed, such accidents still occur. Therefore, it is important to clarify the phenomenon of ice accretion on an aircraft and in a jet engine. However, flight tests for ice accretion are very expensive, and in the wind tunnel it is difficult to reproduce all climate conditions where ice accretion can occur. Therefore, it is expected that computational fluid dynamics (CFD), which can estimate ice accretion in various climate conditions, will be a useful way to predict and understand the ice accretion phenomenon. On the other hand, although the icing caused by super-cooled large droplets (SLD) is very dangerous, the numerical method has not been established yet. This is why SLD icing is characterized by splash and bounce phenomena of droplets and they are very complex in nature. In the present study, we develop an ice accretion code considering the splash and bounce phenomena to predict SLD icing, and the code is applied to a fan rotor blade. The numerical results with and without the SLD icing model are compared. Through this study, the influence of the SLD icing model is numerically clarified.

  1. Ice-lens formation and geometrical supercooling in soils and other colloidal materials

    CERN Document Server

    Style, Robert W; Cocks, Alan C F; Wettlaufer, John S

    2011-01-01

    We present a new, physically-intuitive model of ice-lens formation and growth during the freezing of soils and other dense, particulate suspensions. Motivated by experimental evidence, we consider the growth of an ice-filled crack in a freezing soil. At low temperatures, ice in the crack exerts large pressures on the crack walls that will eventually cause the crack to split open. We show that the crack will then propagate across the soil to form a new lens. The process is controlled by two factors: the cohesion of the soil, and the geometrical supercooling of the water in the soil; a new concept introduced to measure the energy available to form a new ice lens. When the supercooling exceeds a critical amount (proportional to the cohesive strength of the soil) a new ice lens forms. This condition for ice-lens formation and growth does not appeal to any ad hoc, empirical assumptions, and explains how periodic ice lenses can form with or without the presence of a frozen fringe. The proposed mechanism is in good ...

  2. Quasi-equilibrium states in thermotropic liquid crystals studied by multiple quantum NMR

    CERN Document Server

    Buljubasich, L; Acosta, R H; Bonin, C J; alez, C E Gonz\\'; Zamar, R C

    2010-01-01

    We study the nature of the quasiinvariants in nematic 5CB and measure their relaxation times by encoding the multiple quantum coherences of the states following the JB pulse pair on two orthogonal bases, Z and X. The experiments were also performed in powder adamantane at 301 K which is used as a reference compound having only one dipolar quasiinvariant. We show that the evolution of the quantum states during the build up of the quasi-equilibrium state in 5CB prepared under the S condition is similar to the case of adamantane and that their quasi-equilibrium density operators have the same tensor structure. In contrast, the second constant of motion, whose explicit operator form is not known, involves a richer composition of multiple quantum coherences on the X basis of even order, in consistency with the truncation inherent in its definition. We exploited the exclusive presence coherences 4, 6, 8, besides 0 and 2 under the W condition to measure the spin-lattice relaxation time T_{W} accurately, so avoiding ...

  3. The formation and physical stability of two-phase solid dispersion systems of indomethacin in supercooled molten mixtures with different matrix formers.

    Science.gov (United States)

    Semjonov, Kristian; Kogermann, Karin; Laidmäe, Ivo; Antikainen, Osmo; Strachan, Clare J; Ehlers, Henrik; Yliruusi, Jouko; Heinämäki, Jyrki

    2017-01-15

    Amorphous solid dispersions (SDs) are a promising approach to improve the dissolution rate of and oral bioavailability of poorly water-soluble drugs. In some cases multi-phase, instead of single-phase, SD systems with amorphous drug are obtained. While it is widely assumed that one-phase amorphous systems are desirable, two-phase systems may still potentially exhibit enhanced stability and dissolution advantages over undispersed systems. The objective of the present study was to understand the solid-state properties of two-phase SDs with amorphous drug and their relation to physical stability. Two different types of excipients for SD formation were used, one being a polymer and the other a small molecule excipient. The supercooled molten SDs of a poorly water-soluble indomethacin (IND) with a graft copolymer, Soluplus® (SOL) and sugar alcohol, xylitol (XYL) were prepared. Supercooled molten SDs of IND with SOL were two-phase glassy suspension in which the amorphous drug was dispersed in an amorphous polymer matrix. A short-term aging of the SDs led to the formation of glassy suspensions where the crystalline drug was dispersed in an amorphous polymer matrix. These were physically stable at room temperature for the time period studied (RT, 23±2°C), but aging at high-humidity conditions (75% RH) recrystallization to metastable α-IND occurred. Interestingly, the SDs with XYL were two-phase amorphous precipitation systems in which the drug was in an amorphous form in the crystalline sugar alcohol matrix. The SDs of IND and XYL exhibited fast drug recrystallization. In conclusion, the preparation method of two-phase systems via co-melting in association with the rapid quench cooling is a feasible method for the formulation of poorly water-soluble drugs. The physical stability of these two-phase systems, however, is dependent on the carrier material and storage conditions.

  4. Supercooled interfacial water in fine grained soils probed by dielectric spectroscopy

    Science.gov (United States)

    Lorek, A.; Wagner, N.

    2013-04-01

    Water as thermodynamic state parameter affects nearly all physical, chemical and biological processes on the earth. Recent Mars observations as well as laboratory investigations suggest that water is also a key factor of current physical and chemical processes on the martian surface, e.g. rheological phenomena. Therefore it is of particular interest to get information about the liquid like state of water on martian analog soils in the temperature range below 0 °C. In this context, a parallel plate capacitor has been developed to obtain isothermal dielectric spectra of fine grained soils in the frequency range from 10 Hz to 1.1 MHz at martian like temperatures down to -70 °C. Two martian analogue soils have been investigated: a Ca-Bentonite (specific surface of 237 m2 g-1, up to 9.4% w/w gravimetric water content) and JSC Mars 1, a volcanic ash (specific surface of 146 m2 g-1, up to 7.4% w/w). Three soil-specific relaxation processes are observed in the investigated frequency-temperature range: two weak high frequency processes (bound or hydrated water as well as ice) and a strong low frequency process due to counter ion relaxation and the Maxwell-Wagner effect. To characterize the dielectric relaxation behavior, a generalized fractional dielectric relaxation model is applied assuming three active relaxation processes with relaxation time of the ith process according to an Eyring equation. The real part of effective complex soil permittivity at 350 kHz was used to determine ice and liquid like water content by means of the Birchak or CRIM equation. There are evidence that Bentonite down to -70 °C has a liquid like water content of 1.17 monolayers and JSC Mars 1 a liquid like water content of 1.96 mono layers.

  5. Supercooled interfacial water in fine grained soils probed by dielectric spectroscopy

    Directory of Open Access Journals (Sweden)

    A. Lorek

    2013-04-01

    Full Text Available Water as thermodynamic state parameter affects nearly all physical, chemical and biological processes on the earth. Recent Mars observations as well as laboratory investigations suggest that water is also a key factor of current physical and chemical processes on the martian surface, e.g. rheological phenomena. Therefore it is of particular interest to get information about the liquid like state of water on martian analog soils in the temperature range below 0 °C. In this context, a parallel plate capacitor has been developed to obtain isothermal dielectric spectra of fine grained soils in the frequency range from 10 Hz to 1.1 MHz at martian like temperatures down to −70 °C. Two martian analogue soils have been investigated: a Ca-Bentonite (specific surface of 237 m2 g−1, up to 9.4% w/w gravimetric water content and JSC Mars 1, a volcanic ash (specific surface of 146 m2 g−1, up to 7.4% w/w. Three soil-specific relaxation processes are observed in the investigated frequency-temperature range: two weak high frequency processes (bound or hydrated water as well as ice and a strong low frequency process due to counter ion relaxation and the Maxwell–Wagner effect. To characterize the dielectric relaxation behavior, a generalized fractional dielectric relaxation model is applied assuming three active relaxation processes with relaxation time of the ith process according to an Eyring equation. The real part of effective complex soil permittivity at 350 kHz was used to determine ice and liquid like water content by means of the Birchak or CRIM equation. There are evidence that Bentonite down to −70 °C has a liquid like water content of 1.17 monolayers and JSC Mars 1 a liquid like water content of 1.96 mono layers.

  6. Temperature-induced liquid state change and its effects on solidiifcation of thermoelectric alloy Bi0.3Sb1.7Te3

    Institute of Scientific and Technical Information of China (English)

    Zhang Wenjin; Wu Zhan; Yu Yuan; Zu Fangqiu

    2014-01-01

    The behaviors of electrical resistivityvs temperature (ρ-T) of the molten p-type thermoelectric aloy Bi0.3Sb1.7Te3 (at.%) were explored in heating and cooling processes. An obvious hump appeared on theρ-T curve from 932℃ to 1,020℃ at the heating process, while the curve became smooth in the folowing cooling, which suggests an irreversible temperature-induced liquid-liquid structure transition (TI-LLST) occurred in the liquid aloy. Based on this judgment, solidiifcation experiments were carried out to ifnd out the effects of the different liquid states. It was veriifed that, for the melt experiencing the presumed TI-LLST, both the nucleation and growth undercooling degrees were elevated and the solidiifcation time was remarkably prolonged. On the other hand, the conifguration of Bi0.3Sb1.7Te3 phase was reifned, and its preferential orientation was weakened.

  7. Quantum-state resolved reaction dynamics at the gas-liquid interface: Direct absorption detection of HF(v,J) product from F(2P)+squalane

    Science.gov (United States)

    Zolot, Alexander M.; Harper, Warren W.; Perkins, Bradford G.; Dagdigian, Paul J.; Nesbitt, David J.

    2006-07-01

    Exothermic reactive scattering of F atoms at the gas-liquid interface of a liquid hydrocarbon (squalane) surface has been studied under single collision conditions by shot noise limited high-resolution infrared absorption on the nascent HF (v,J) product. The nascent HF (v,J) vibrational distributions are inverted, indicating insufficient time for complete vibrational energy transfer into the surface liquid. The HF (v=2,J) rotational distributions are well fit with a two temperature Boltzmann analysis, with a near room temperature component (TTD≈290K) and a second much hotter scattering component (THDS≈1040K). These data provide quantum state level support for microscopic branching in the atom abstraction dynamics corresponding to escape of nascent HF from the liquid surface on time scales both slow and fast with respect to rotational relaxation.

  8. Application of Reed-Vibration Mechanical Spectroscopy for Liquids in Studying Liquid Crystallization

    Science.gov (United States)

    Zhou, Heng-Wei; Wang, Li-Na; Zhang, Li-Li; Huang, Yi-Neng

    2013-08-01

    By using the reed-vibration mechanical spectroscopy for liquids (RMS-L), we measured the complex Young's modulus of dimethyl phthalate (DP) during a cooling and heating circulation starting from room temperature at about 2 KHz. The results show that there is no crystallization in the cooling supercooled liquid (CSL) of DP, but a crystallization process in the heating supercooled liquid (HSL) after the reverse glass transition. Based on the measured modulus, crystal volume fraction (v) during the HSL crystallization was calculated. Moreover, the Avrami exponent (n) was obtained according to the JJMA equation and v data. In view of n versus temperature and v, the nucleation dynamics was analyzed, and especially, there has already existed saturate nuclei in DP HSL before the crystallization. Furthermore, the authors inferred that the nuclei are induced by the random frozen stress in the glass, but there is no nucleus in CSL. The above results indicated that RMS-L might provide a new way to measure and analyze the crystallization of liquids.

  9. Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China.

    Science.gov (United States)

    Feng, Yunzi; Cai, Yu; Su, Guowan; Zhao, Haifeng; Wang, Chenxia; Zhao, Mouming

    2014-02-15

    Two types of Chinese soy sauce, high-salt liquid-state fermentation soy sauce (HLFSS) and low-salt solid-state fermentation soy sauce (LSFSS), were used to investigate their differences in aroma profile by headspace solid-phase microextraction (HS-SPME) and gas chromatography-olfactometry/mass spectrometry (GC-O/MS). Results from descriptive sensory analysis showed that the alcoholic, cooked potato-like and caramel-like attributes were significantly higher in HLFSS, while LSFSS exhibited significantly higher sour and burnt attributes. In addition, aroma extract dilution analysis (AEDA) revealed 37 and 33 odour-active regions for HLFSS and LSFSS, respectively. Ethanol, 3-methyl-1-butanol, phenylacetaldehyde, 4-ethyl-2-methoxyphenol, 2-methoxy-4-vinylphenol and 3-(methylthio)propanal detected in HLFSS showed the highest flavour dilution (FD) factors, while 3-methylbutanal, phenylacetaldehyde and ethyl propanoate possessed the highest FD factors in LSFSS. Therefore, the traditional Chinese soy sauce HLFSS contained more complex volatiles and exhibited a richer aromatic profile compared with LSFSS.

  10. Self-consistent measurement of the equation of state of liquid deuterium

    Science.gov (United States)

    Falk, K.; Regan, S. P.; Vorberger, J.; Barrios, M. A.; Boehly, T. R.; Fratanduono, D. E.; Glenzer, S. H.; Hicks, D. G.; Hu, S. X.; Murphy, C. D.; Radha, P. B.; Rothman, S.; Jephcoat, A. P.; Wark, J. S.; Gericke, D. O.; Gregori, G.

    2012-03-01

    We combine experiments and theoretical models to characterize warm dense deuterium. A shockwave was driven in a planar target by the OMEGA laser without a standard pusher making the analysis independent of a quartz or aluminium pressure standard. The conditions of the shocked material were diagnosed with VISAR and optical pyrometry which yields the shock velocity (16.9 ± 0.9 km/s) and the temperature (0.57 ± 0.05 eV). We find a self-consistent description of the data when using ab initio simulations (DFT-MD), but not for other equation of state (EOS) models tested.

  11. High-resolution liquid- and solid-state nuclear magnetic resonance of nanoliter sample volumes using microcoil detectors

    Science.gov (United States)

    Kentgens, A. P. M.; Bart, J.; van Bentum, P. J. M.; Brinkmann, A.; van Eck, E. R. H.; Gardeniers, J. G. E.; Janssen, J. W. G.; Knijn, P.; Vasa, S.; Verkuijlen, M. H. W.

    2008-02-01

    The predominant means to detect nuclear magnetic resonance (NMR) is to monitor the voltage induced in a radiofrequency coil by the precessing magnetization. To address the sensitivity of NMR for mass-limited samples it is worthwhile to miniaturize this detector coil. Although making smaller coils seems a trivial step, the challenges in the design of microcoil probeheads are to get the highest possible sensitivity while maintaining high resolution and keeping the versatility to apply all known NMR experiments. This means that the coils have to be optimized for a given sample geometry, circuit losses should be avoided, susceptibility broadening due to probe materials has to be minimized, and finally the B1-fields generated by the rf coils should be homogeneous over the sample volume. This contribution compares three designs that have been miniaturized for NMR detection: solenoid coils, flat helical coils, and the novel stripline and microslot designs. So far most emphasis in microcoil research was in liquid-state NMR. This contribution gives an overview of the state of the art of microcoil solid-state NMR by reviewing literature data and showing the latest results in the development of static and micro magic angle spinning (microMAS) solenoid-based probeheads. Besides their mass sensitivity, microcoils can also generate tremendously high rf fields which are very useful in various solid-state NMR experiments. The benefits of the stripline geometry for studying thin films are shown. This geometry also proves to be a superior solution for microfluidic NMR implementations in terms of sensitivity and resolution.

  12. A state-of-the-art report on the development of liquid metal reactor materials

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yung Suk; Noh, Kye Hoh; Han, Jung Hoh; Park, Jee Yun; Lee, Duk Hyun; Suh, Jung Hoon; Park, Kee Sung; Jung, Choong Hwan [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1993-09-01

    A state-of-the are survey on the LMR materials - core and structural materials and the others - has been conducted. For core materials, ferritic steels with superior swelling resistance such as HT-9 or PNC-FMS and the ODS steels are found to be one of the best candidates for the cladding and wrapper tubes, respectively. As boron carbide presently used for a neutron absorber also needs to extend its life time, much attention is now being paid to the development of a coated pellets and a kind of cermet made of boron carbide and metal in order to eliminate the control rod failure. As structural materials for pressure vessel, pipe and steam generator, the 316 MN SS with lower carbon and medium nitrogen compared to the 316 SS and 9Cr-1Mo ferritic steels are well recommended, respectively. The inelastic analytical model and the evaluation methodology to predict creep fatigue life time have been reviewed. On the other hand, a state of the art survey on the EMP coil/insulator materials has been conducted and the feasibility of the functionally gradient materials such as ZrO2-304 SS has also been investigated. 89 figs., 34 tabs., 131 refs. (Author).

  13. Thermostable gel polymer electrolyte based on succinonitrile and ionic liquid for high-performance solid-state supercapacitors

    Science.gov (United States)

    Pandey, Gaind P.; Liu, Tao; Hancock, Cody; Li, Yonghui; Sun, Xiuzhi Susan; Li, Jun

    2016-10-01

    A flexible, free-standing, thermostable gel polymer electrolyte based on plastic crystalline succinonitrile (SN) and ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF4) entrapped in copolymer poly(vinylidene fluoride-co-hexafluoropropylene) (PVdF-HFP) is prepared and optimized for application in solvent-free solid-state supercapacitors. The synthesized gel polymer electrolyte exhibits a high ionic conductivity over a wide temperature range (from ∼5 × 10-4 S cm-1 at -30 °C up to ∼1.5 × 10-2 S cm-1 at 80 °C) with good electrochemical stability window (-2.9 to 2.5 V). Thermal studies confirm that the SN containing gel polymer electrolyte remains stable in the same gel phase over a wide temperature range from -30 to 90 °C. The electric double layer capacitors (EDLCs) have been fabricated using activated carbon as active materials and new gel polymer electrolytes. Electrochemical performance of the EDLCs is assessed through cyclic voltammetry, galvanostatic charge-discharge cycling and impedance spectroscopy. The EDLC cells with the proper SN-containing gel polymer electrolyte has been found to give high specific capacitance 176 F g-1 at 0.18 A g-1 and 138 F g-1 at 8 A g-1. These solid-state EDLC cells show good cycling stability and the capability to retain ∼80% of the initial capacitance after 10,000 cycles.

  14. 3-V Solid-State Flexible Supercapacitors with Ionic-Liquid-Based Polymer Gel Electrolyte for AC Line Filtering.

    Science.gov (United States)

    Kang, Yu Jin; Yoo, Yongju; Kim, Woong

    2016-06-08

    State-of-the-art solid-state flexible supercapacitors with sufficiently fast response speed for AC line filtering application suffer from limited energy density. One of the main causes of the low energy density is the low cell voltage (1 V), which is limited by aqueous-solution-based gel electrolytes. In this work, we demonstrate for the first time a 3-V flexible supercapacitor for AC line filtering based on an ionic-liquid-based polymer gel electrolyte and carbon nanotube electrode material. The flexible supercapacitor exhibits an areal energy density that is more than 20 times higher than that of the previously demonstrated 1-V flexible supercapacitor (0.66 vs 0.03 μWh/cm(2)) while maintaining excellent capacitive behavior at 120 Hz. The supercapacitor shows a maximum areal power density of 1.5 W/cm(2) and a time constant of 1 ms. The improvement of the cell voltage while maintaining the fast-response capability greatly improves the potential of supercapacitors for high-frequency applications in wearable and/or portable electronics.

  15. The Eighth Liquid Matter Conference.

    Science.gov (United States)

    Dellago, Christoph; Kahl, Gerhard; Likos, Christos N

    2012-07-18

    The Eighth Liquid Matter Conference (LMC8) was held at the Universität Wien from 6-10 September 2011. Initiated in 1990, the conferences of this series cover a broad range of highly interdisciplinary topics, ranging from simple liquids to soft matter and biophysical systems. The vast spectrum of scientific subjects presented and discussed at the LMC8 is reflected in the themes of the ten symposia: Ionic and quantum liquids, liquid metals Water, solutions and reaction dynamics Liquid crystals Polymers, polyelectrolytes, biopolymers Colloids Films, foams, surfactants, emulsions, aerosols Confined fluids, interfacial phenomena Supercooled liquids, glasses, gels Non-equilibrium systems, rheology, nanofluids Biofluids, active matter This special issue contains scientific papers, authored by participants of the LMC8, which provide a cross-section of the scientific activities in current liquid matter science, as discussed at the conference, and demonstrate the scientific as well as methodological progress made in this field over the past couple of years. The Eighth Liquid Matter Conference contents The Eighth Liquid Matter ConferenceChristoph Dellago, Gerhard Kahl and Christos N Likos Comparing light-induced colloidal quasicrystals with different rotational symmetriesMichael Schmiedeberg and Holger Stark Hydrogen bond network relaxation in aqueous polyelectrolyte solutions: the effect of temperatureS Sarti, D Truzzolillo and F Bordi Equilibrium concentration profiles and sedimentation kinetics of colloidal gels under gravitational stressS Buzzaccaro, E Secchi, G Brambilla, R Piazza and L Cipelletti The capillary interaction between two vertical cylindersHimantha Cooray, Pietro Cicuta and Dominic Vella Hydrodynamic and viscoelastic effects in polymer diffusionJ Farago, H Meyer, J Baschnagel and A N Semenov A density-functional theory study of microphase formation in binary Gaussian mixturesM Carta, D Pini, A Parola and L Reatto Microcanonical determination of the

  16. Freezing avoidance by supercooling in Olea europaea cultivars: the role of apoplastic water, solute content and cell wall rigidity.

    Science.gov (United States)

    Arias, Nadia S; Bucci, Sandra J; Scholz, Fabian G; Goldstein, Guillermo

    2015-10-01

    Plants can avoid freezing damage by preventing extracellular ice formation below the equilibrium freezing temperature (supercooling). We used Olea europaea cultivars to assess which traits contribute to avoid ice nucleation at sub-zero temperatures. Seasonal leaf water relations, non-structural carbohydrates, nitrogen and tissue damage and ice nucleation temperatures in different plant parts were determined in five cultivars growing in the Patagonian cold desert. Ice seeding in roots occurred at higher temperatures than in stems and leaves. Leaves of cold acclimated cultivars supercooled down to -13 °C, substantially lower than the minimum air temperatures observed in the study site. During winter, leaf ice nucleation and leaf freezing damage (LT50 ) occurred at similar temperatures, typical of plant tissues that supercool. Higher leaf density and cell wall rigidity were observed during winter, consistent with a substantial acclimation to sub-zero temperatures. Larger supercooling capacity and lower LT50 were observed in cold-acclimated cultivars with higher osmotically active solute content, higher tissue elastic adjustments and lower apoplastic water. Irreversible leaf damage was only observed in laboratory experiments at very low temperatures, but not in the field. A comparative analysis of closely related plants avoids phylogenetic independence bias in a comparative study of adaptations to survive low temperatures.

  17. Transcriptomic and proteomic analyses on the supercooling ability and mining of antifreeze proteins of the Chinese white wax scale insect.

    Science.gov (United States)

    Yu, Shu-Hui; Yang, Pu; Sun, Tao; Qi, Qian; Wang, Xue-Qing; Chen, Xiao-Ming; Feng, Ying; Liu, Bo-Wen

    2016-06-01

    The Chinese white wax scale insect, Ericerus pela, can survive at extremely low temperatures, and some overwintering individuals exhibit supercooling at temperatures below -30°C. To investigate the deep supercooling ability of E. pela, transcriptomic and proteomic analyses were performed to delineate the major gene and protein families responsible for the deep supercooling ability of overwintering females. Gene Ontology (GO) classification and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis indicated that genes involved in the mitogen-activated protein kinase, calcium, and PI3K-Akt signaling pathways and pathways associated with the biosynthesis of soluble sugars, sugar alcohols and free amino acids were dominant. Proteins responsible for low-temperature stress, such as cold acclimation proteins, glycerol biosynthesis-related enzymes and heat shock proteins (HSPs) were identified. However, no antifreeze proteins (AFPs) were identified through sequence similarity search methods. A random forest approach identified 388 putative AFPs in the proteome. The AFP gene ep-afp was expressed in Escherichia coli, and the expressed protein exhibited a thermal hysteresis activity of 0.97°C, suggesting its potential role in the deep supercooling ability of E. pela.

  18. Realisation of dynamic ice-making by supercooled water%过冷水动态制冰的研究

    Institute of Scientific and Technical Information of China (English)

    曲凯阳; 江亿

    2001-01-01

    Further studies based on the authors' earlier researches the conditions under which no fpeezing occur in the supercooler while sufficient supercooling of water is guaranteed.Establishes a stably opepeting experimental assembly. Water temperature at the entrance of the supercooler reaches as low as 0.45 ℃, and the water temperature drop in supercooler isabout 1℃.%在作者前期研究的基础上,进一步研究了保证过冷水动态制冰系统中过冷却器不发生结冰的条件,建立了能够稳定运行的过冷水动态制冰实验装置。水在过冷却器入口的最低温度为0.45℃,在过冷却器中的温降约为1.0℃。

  19. Excited state dynamics of 9,9'-bianthryl in room temperature ionic liquids as revealed by picosecond time-resolved fluorescence study

    Indian Academy of Sciences (India)

    Dinesh Chandra Khara; Aniruddha Paul; Kotni Santhosh; Anunay Samanta

    2009-05-01

    Picosecond time-resolved fluorescence measurements have been carried out on 9,9'-bianthryl in three imidazolium ionic liquids to probe the excited state dynamics. In the early time-scale, the fluorescence spectra of bianthryl have been found to consist of emission from both locally excited (LE) and charge transfer (CT) states. The LE → CT relaxation time, as estimated from the decay of the fluorescence intensity of the LE emission, is found to vary between 230 and 390 ps, while the average solvent relaxation time, as estimated from the analysis of time-dependent fluorescence Stokes shift, is found to vary between 620 ps and 1840 ps, depending on the viscosity of the ionic liquids. The results confirm that while in conventional less viscous solvents the CT formation kinetics of bianthryl occurs simultaneously with the solvation dynamics, in ionic liquids the two processes mostly occur in different time scales.

  20. Equation of state modelling of systems with ionic liquids: Literature review and application with the Cubic Plus Association (CPA) model

    DEFF Research Database (Denmark)

    Maia, Filipa Meireles; Tsivintzelis, Ioannis; Rodriguez, Oscar

    2012-01-01

    -ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][NTf2]) and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide([C4mim][NTf2]). The first step was to study an adequate approach for the determination of pure component parameters for the ionic liquids. The parameters were...... obtained by fitting the predictions of the model to experimental vapour pressure and liquid density data. The parameters provide a good description of both experimental vapour pressures and liquid density, with maximum percentage deviations of respectively 8.9 and 1.3% for [C2mim][NTf2] and 5.7 and 0.......5% for [C4mim][NTf2]. Different sets of pure component parameters for each ionic liquid were considered and their suitability to describe the behaviour of ionic liquids was evaluated by modelling the vapour–liquid equilibria (VLE) of mixtures with CO2 and the liquid–liquid equilibria (LLE) with water...

  1. Supercooled Water.

    Science.gov (United States)

    1983-03-01

    53) study by Egelstaff et al Emulsion samples have also been briefly studied but background difficulties have made resolution of the results...Angell, L., Angell, C. A. ., Phys. Chem. (to be published) 52. Bosio, L., Chen, S.-H., Teixeira, 3. Phys. Rev. A (in press) 53. Egelstaff , P. A., Polo, 3

  2. Reduction of Liquid Clad Formation Due to Solid State Diffusion in Clad Brazing Sheet

    Science.gov (United States)

    Benoit, Michael J.; Whitney, Mark A.; Wells, Mary A.; Winkler, Sooky

    2016-12-01

    Warm forming operations have shown promise in expanding automotive heat exchanger designs by increasing forming limits of clad brazing sheet. The impact of isothermal holds below the clad melting temperature on subsequent brazeability has not previously been studied in detail. The effect of these holds on brazeability, as measured by the clad thickness loss due to solid state diffusion of Si out of the clad layer prior to clad melting, was assessed through parallel DSC and optical microscopy measurements, as well as through the use of a previously developed model. EPMA measurements were also performed to support the other measures. Overall, the same trends were predicted by DSC, microscopy, and the theoretical model; however, the DSC predictions were unable to accurately predict remaining clad thickness prior to melting, even after correcting the data for clad-core interactions. Microscopy measurements showed very good agreement with the model predictions, although there were slight discrepancies at short hold times due to the inability of the model to account for clad loss during heating to the brazing temperature. Further microscopy measurements showed that when the heating rate is set below a critical value, there is a reduction in the clad thickness from the as-received condition.

  3. Equilibrium state of a cylindrical particle with flat ends in nematic liquid crystals.

    Science.gov (United States)

    Hashemi, S Masoomeh; Ejtehadi, Mohammad Reza

    2015-01-01

    A continuum theory is employed to numerically study the equilibrium orientation and defect structures of a circular cylindrical particle with flat ends under a homeotropic anchoring condition in a uniform nematic medium. Different aspect ratios of this colloidal geometry from thin discotic to long rodlike shapes and several colloidal length scales ranging from mesoscale to nanoscale are investigated. We show that the equilibrium state of this colloidal geometry is sensitive to the two geometrical parameters: aspect ratio and length scale of the particle. For a large enough mesoscopic particle, there is a specific asymptotic equilibrium angle associated to each aspect ratio. Upon reducing the particle size to nanoscale, the equilibrium angle follows a descending or ascending trend in such a way that the equilibrium angle of a particle with the aspect ratio bigger than 1:1 (a discotic particle) goes to a parallel alignment with respect to the far-field nematic, whereas the equilibrium angle for a particle with the aspect ratio 1:1 and smaller (a rodlike particle) tends toward a perpendicular alignment to the uniform nematic direction. The discrepancy between the equilibrium angles of the mesoscopic and nanoscopic particles originates from the significant differences between their defect structures. The possible defect structures related to mesoscopic and nanoscopic colloidal particles of this geometry are also introduced.

  4. Liquid Effluent Retention Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The Liquid Effluent Retention Facility (LERF) is located in the central part of the Hanford Site. LERF is permitted by the State of Washington and has three liquid...

  5. Supercooled interfacial water in fine-grained soils probed by dielectric spectroscopy

    Science.gov (United States)

    Lorek, A.; Wagner, N.

    2013-12-01

    Water substantially affects nearly all physical, chemical and biological processes on the Earth. Recent Mars observations as well as laboratory investigations suggest that water is a key factor of current physical and chemical processes on the Martian surface, e.g. rheological phenomena. Therefore it is of particular interest to get information about the liquid-like state of water on Martian analogue soils for temperatures below 0 °C. To this end, a parallel plate capacitor has been developed to obtain isothermal dielectric spectra of fine-grained soils in the frequency range from 10 Hz to 1.1 MHz at Martian-like temperatures down to -70 °C. Two Martian analogue soils have been investigated: a Ca-bentonite (specific surface of 237 m2 g-1, up to 9.4% w / w gravimetric water content) and JSC Mars 1, a volcanic ash (specific surface of 146 m2 g-1, up to 7.4% w / w). Three soil-specific relaxation processes are observed in the investigated frequency-temperature range: two weak high-frequency processes (bound or hydrated water as well as ice) and a strong low-frequency process due to counter-ion relaxation and the Maxwell-Wagner effect. To characterize the dielectric relaxation behaviour, a generalized fractional dielectric relaxation model was applied assuming three active relaxation processes with relaxation time of the ith process modelled with an Eyring equation. The real part of effective complex soil permittivity at 350 kHz was used to determine ice and liquid-like water content by means of the Birchak or CRIM equation. There are evidence that bentonite down to -70 °C has a liquid-like water content of 1.17 monolayers and JSC Mars 1 a liquid-like water content of 1.96 monolayers.

  6. Supercooled interfacial water in fine-grained soils probed by dielectric spectroscopy

    Directory of Open Access Journals (Sweden)

    A. Lorek

    2013-12-01

    Full Text Available Water substantially affects nearly all physical, chemical and biological processes on the Earth. Recent Mars observations as well as laboratory investigations suggest that water is a key factor of current physical and chemical processes on the Martian surface, e.g. rheological phenomena. Therefore it is of particular interest to get information about the liquid-like state of water on Martian analogue soils for temperatures below 0 °C. To this end, a parallel plate capacitor has been developed to obtain isothermal dielectric spectra of fine-grained soils in the frequency range from 10 Hz to 1.1 MHz at Martian-like temperatures down to −70 °C. Two Martian analogue soils have been investigated: a Ca-bentonite (specific surface of 237 m2 g−1, up to 9.4% w / w gravimetric water content and JSC Mars 1, a volcanic ash (specific surface of 146 m2 g−1, up to 7.4% w / w. Three soil-specific relaxation processes are observed in the investigated frequency–temperature range: two weak high-frequency processes (bound or hydrated water as well as ice and a strong low-frequency process due to counter-ion relaxation and the Maxwell–Wagner effect. To characterize the dielectric relaxation behaviour, a generalized fractional dielectric relaxation model was applied assuming three active relaxation processes with relaxation time of the ith process modelled with an Eyring equation. The real part of effective complex soil permittivity at 350 kHz was used to determine ice and liquid-like water content by means of the Birchak or CRIM equation. There are evidence that bentonite down to −70 °C has a liquid-like water content of 1.17 monolayers and JSC Mars 1 a liquid-like water content of 1.96 monolayers.

  7. Volume and structural analysis of super-cooled water under high pressure

    Science.gov (United States)

    Duki, Solomon F.; Tsige, Mesfin

    2012-02-01

    Motivated by recent experimental study of super-cooled water at high pressure [1], we performed atomistic molecular dynamic simulations study on bulk water molecules at isothermal-isobaric ensemble. These simulations are performed at temperatures that range from 40 K to 380 K using two different cooling rates, 10K/ns and 10K/5ns, and pressure that ranges from 1atm to 10000 atm. Our analysis for the variation of the volume of the bulk sample against temperature indicates a downward concave shape for pressures above certain values, as reported in [1]. The same downward concave behavior is observed at high pressure on the mean-squared-displacements (MSD) of the water molecules when the MSD is plotted against time. To get further insight on the effect of the pressure on the sample we have also performed a structural analysis of the sample.[4pt] [1] O. Mishima, J. Chem. Phys. 133, 144503 (2010);

  8. Crystallization behavior of supercooled smectic cholesteryl myristate nanoparticles containing phospholipids as stabilizers

    DEFF Research Database (Denmark)

    Kuntsche, Judith; Koch, Michel; Drechsler, M;

    2005-01-01

    Supercooled smectic nanoparticles based on physiological cholesterol esters are under investigation as a potential novel carrier system for lipophilic drugs. The present study investigates the very complex crystallization behavior of such nanoparticles stabilized with the aid of phospholipids....... Phospholipid and phospholipid/bile salt stabilized cholesteryl myristate dispersions were prepared by high-pressure melt homogenization and characterized by particle size measurements, differential scanning calorimetry, X-ray diffraction and electron microscopy. To obtain fractions with very small smectic...... nanoparticles, selected dispersions were ultracentrifuged. A mixture of cholesteryl myristate and the phospholipid used for the stabilization of the dispersions was also investigated by light microscopy. The nanoparticles usually display a bimodal crystallization event which depends on the thermal treatment...

  9. Local order in a supercooled colloidal fluid observed by confocal microscopy

    CERN Document Server

    Gasser, U; Weitz, D A

    2003-01-01

    The local order in a supercooled monodisperse colloidal fluid is studied by direct imaging of the particles with a laser scanning confocal microscope. The local structure is analysed with a bond order parameter method, which allows one to discern simple structures that are relevant in this system. As expected for samples that crystallize eventually, a large fraction of the particles are found to sit in surroundings with dominant face-centred cubic or hexagonally close-packed character. Evidence for local structures that contain fragments of icosahedra is found, and, moreover, the icosahedral character increases with volume fraction phi, which indicates that it might play an important role at volume fractions near the glass transition.

  10. Local order in a supercooled colloidal fluid observed by confocal microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gasser, U [Department of Physics and Division of Engineering and Applied Sciences, Harvard University, Cambridge, MA (United States); Schofield, Andrew [Department of Physics and Astronomy, University of Edinburgh, Edinburgh (United Kingdom); Weitz, D A [Department of Physics and Division of Engineering and Applied Sciences, Harvard University, Cambridge, MA (United States)

    2003-01-15

    The local order in a supercooled monodisperse colloidal fluid is studied by direct imaging of the particles with a laser scanning confocal microscope. The local structure is analysed with a bond order parameter method, which allows one to discern simple structures that are relevant in this system. As expected for samples that crystallize eventually, a large fraction of the particles are found to sit in surroundings with dominant face-centred cubic or hexagonally close-packed character. Evidence for local structures that contain fragments of icosahedra is found, and, moreover, the icosahedral character increases with volume fraction {phi}, which indicates that it might play an important role at volume fractions near the glass transition.

  11. Ice-lens formation and geometrical supercooling in soils and other colloidal materials

    KAUST Repository

    Style, Robert W.

    2011-10-14

    We present a physically intuitive model of ice-lens formation and growth during the freezing of soils and other dense, particulate suspensions. Motivated by experimental evidence, we consider the growth of an ice-filled crack in a freezing soil. At low temperatures, ice in the crack exerts large pressures on the crack walls that will eventually cause the crack to split open. We show that the crack will then propagate across the soil to form a new lens. The process is controlled by two factors: the cohesion of the soil and the geometrical supercooling of the water in the soil, a new concept introduced to measure the energy available to form a new ice lens. When the supercooling exceeds a critical amount (proportional to the cohesive strength of the soil) a new ice lens forms. This condition for ice-lens formation and growth does not appeal to any ad hoc, empirical assumptions, and explains how periodic ice lenses can form with or without the presence of a frozen fringe. The proposed mechanism is in good agreement with experiments, in particular explaining ice-lens pattern formation and surges in heave rate associated with the growth of new lenses. Importantly for systems with no frozen fringe, ice-lens formation and frost heave can be predicted given only the unfrozen properties of the soil. We use our theory to estimate ice-lens growth temperatures obtaining quantitative agreement with the limited experimental data that are currently available. Finally we suggest experiments that might be performed in order to verify this theory in more detail. The theory is generalizable to complex natural-soil scenarios and should therefore be useful in the prediction of macroscopic frost-heave rates. © 2011 American Physical Society.

  12. Mass transfer resistance in a liquid-phase microextraction employing a single hollow fiber under unsteady-state conditions.

    Science.gov (United States)

    Kumrić, Ksenija R; Vladisavljević, Goran T; Đorđević, Jelena S; Jönsson, Jan Åke; Trtić-Petrović, Tatjana M

    2012-09-01

    In this study, the mass transport resistance in liquid-phase microextraction (LPME) in a single hollow fiber was investigated. A mathematical model has been developed for the determination of the overall mass transfer coefficient based on the acceptor phase in an unsteady state. The overall mass transfer coefficient in LPME in a single hollow fiber has been estimated from time-dependent concentration of extracted analyte in the acceptor phase while maintaining a constant analyte concentration in the donor phase. It can be achieved either using a high volume of donor to acceptor phase ratio or tuning the extraction conditions to obtain a low-enrichment factor, so that the analyte concentration in the sample is not significantly influenced by the mass transfer. Two extraction systems have been used to test experimentally the developed model: the extraction of Lu(III) from a buffer solution and the extraction of three local anesthetics from a buffer or plasma solution. The mass transfer resistance, defined as a reciprocal values of the mass transfer coefficient, was found to be 1.2 × 10(3) cm(-1) min for Lu(III) under optimal conditions and from 1.96 to 3.3 × 10(3) cm(-1) min for the local anesthetics depending on the acceptor pH and the hydrophobicity of the drug.

  13. Comparison of solid-state anaerobic digestion and composting of yard trimmings with effluent from liquid anaerobic digestion.

    Science.gov (United States)

    Lin, Long; Yang, Liangcheng; Xu, Fuqing; Michel, Frederick C; Li, Yebo

    2014-10-01

    Solid-state anaerobic digestion (SS-AD) and composting of yard trimmings with effluent from liquid AD were compared under thermophilic condition. Total solids (TS) contents of 22%, 25%, and 30% were studied for SS-AD, and 35%, 45%, and 55% for composting. Feedstock/effluent (F/E) ratios of 2, 3, 4, 5, and 6 were tested. In composting, the greatest carbon loss was obtained at 35% TS, which was 2-3 times of that at 55% TS and was up to 50% higher than that in SS-AD. In SS-AD, over half of the degraded carbon was converted to methane with the greatest methane yield of 121 L/kg VS(feedstock). Methane production from SS-AD was low at F/E ratios of 2 and 3, likely due to the inhibitory effect of high concentrations of ammonia nitrogen (up to 5.6g/kg). The N-P-K values were similar for SS-AD digestate and compost with different dominant nitrogen forms.

  14. Resource recovery using whey permeate to cultivate Phellinus linteus mycelium: Solid-state and submerged liquid fermentation.

    Science.gov (United States)

    Cho, Kyungjin; Lee, Joonyeob; Han, Gyuseong; Kim, Na Kyung; Bae, Hyokwan; Hwang, Seokhwan

    2015-10-01

    The growth characteristics of Phellinus linteus mycelium were assessed and compared under solid-state fermentation (SSF) and submerged liquid fermentation (SLF) systems on whey permeate medium. Response surface methodology was used to investigate the growth rates of mycelia under various conditions of operating temperature (TO), initial pH, and substrate concentration ([S]). The optimal growth conditions of P. linteus mycelium were determined to be 26.1°C, pH 4.6, and 60.3g of lactose/L in the SSF system, and 29.0°C, pH 5.0, and 65.3g of lactose/L in the SLF system. The maximum growth rates were predicted to be 1.92 ± 0.01 mm/d in SSF and 192.1 ± 0.0mg/L per day in SLF. Random trials were conducted to experimentally validate the evaluated optimal conditions. The differences between the modeled and observed values were only 5.3% in the SSF system and 6.1% in the SLF system. Significant engineering factors differed between the fermentation techniques; TO was significant in both cultivation systems, whereas initial pH was significant in SSF but [S] was significant in SLF. Our findings can be used to guide the operation of the bioconversion process for cultivating P. linteus mycelium using whey permeate wastewater.

  15. Study of ion diffusional motion in ionic liquid-based polymer electrolytes by simultaneous solid state NMR and DTA.

    Science.gov (United States)

    Rajput, Dushyant Singh; Yamada, Koji; Sekhon, S S

    2013-02-28

    Polymer electrolytes containing ionic liquid (IL), 2-methyl-1,3-dipropylimidazolium dihydrogenphosphate (MDPImH2PO4) have been studied by (1)H solid state NMR and differential thermal analysis (DTA) simultaneously by using a specially designed probe. To the best of our knowledge, this is the first report of its kind for IL based polymer electrolytes. The variation of NMR line width with temperature for the IL and polymer electrolytes shows line narrowing at the glass transition and melting temperature. The onset of long-range ion diffusional motion also takes place at these temperatures and is accompanied by a sudden increase in ionic conductivity value by 2-3 orders of magnitude. The presence of amorphous and crystalline phases in IL-based polymer electrolytes has been observed from X-ray diffraction (XRD) studies, and the amorphous phase is the high conducting phase in these polymer electrolytes. The IL-based polymer electrolytes have been observed to be thermally stable up to 200 °C. The results obtained from ion transport studies have also been supported by Fourier transform infrared (FTIR), XRD, and cyclic voltammetry (CV) studies.

  16. Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

    Science.gov (United States)

    Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

    2015-06-01

    Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.

  17. Strength of metals in liquid and solid states at extremely high tension produced by femtosecond laser heating

    Science.gov (United States)

    Ashitkov, Sergey I.; Inogamov, Nail A.; Komarov, Pavel S.; Zhakhovsky, Vasily V.; Oleynik, Ivan I.; Agranat, Mikhail B.; Kanel, Gennady I.; Fortov, Vladimir E.

    2012-07-01

    We will discuss results of combined experimental and theoretical investigations of ablation and laser-driven shock-wave phenomena in metal films irradiated by femtosecond laser pulses. The femtosecond interferometric microscopy technique was used to make time-resolved measurements of optical properties as well as record the deformation dynamics at both the rear and frontal surfaces during initial two-temperature electron-ion relaxation and subsequent hydrodynamic expansion. In conjunction with experiment, the formation and propagation of strong tensile and compression waves were investigated by a combination of two-temperature hydrodynamic modeling and molecular dynamics simulations. The experimental tensile strengths of aluminum and nickel in solid and liquid states at extremely high strain rates in range 108÷109s-1 were obtained from the time evolution of rear and frontal surface velocities. Theoretical tensile strengths calculated by atomistic simulations of ablation and spallation using micron-sized films agree well with experiment. Elastic-plastic response of metallic films to shock compression investigated by both experiment and theory/modeling will also be discussed.

  18. Strength of metals in liquid and solid states at extremely high tension produced by femtosecond laser heating

    Energy Technology Data Exchange (ETDEWEB)

    Ashitkov, Sergey I.; Inogamov, Nail A.; Komarov, Pavel S.; Zhakhovsky, Vasily V.; Oleynik, Ivan I.; Agranat, Mikhail B.; Kanel, Gennady I.; Fortov, Vladimir E. [Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow, 125412 (Russian Federation); L. D. Landau Institute for Theoretical Physics, Russian Academy of Sciences, Chernogolovka, 142432 (Russian Federation); Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow, 125412 (Russian Federation); Department of Physics, University of South Florida, Tampa, Florida 33620 (United States); Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow, 125412 (Russian Federation)

    2012-07-30

    We will discuss results of combined experimental and theoretical investigations of ablation and laser-driven shock-wave phenomena in metal films irradiated by femtosecond laser pulses. The femtosecond interferometric microscopy technique was used to make time-resolved measurements of optical properties as well as record the deformation dynamics at both the rear and frontal surfaces during initial two-temperature electron-ion relaxation and subsequent hydrodynamic expansion. In conjunction with experiment, the formation and propagation of strong tensile and compression waves were investigated by a combination of two-temperature hydrodynamic modeling and molecular dynamics simulations. The experimental tensile strengths of aluminum and nickel in solid and liquid states at extremely high strain rates in range 10{sup 8} Division-Sign 10{sup 9}s{sup -1} were obtained from the time evolution of rear and frontal surface velocities. Theoretical tensile strengths calculated by atomistic simulations of ablation and spallation using micron-sized films agree well with experiment. Elastic-plastic response of metallic films to shock compression investigated by both experiment and theory/modeling will also be discussed.

  19. Non-Fermi Liquid Behavior Close to a Quantum Critical Point in a Ferromagnetic State without Local Moments

    Directory of Open Access Journals (Sweden)

    E. Svanidze

    2015-03-01

    Full Text Available A quantum critical point (QCP occurs upon chemical doping of the weak itinerant ferromagnet Sc_{3.1}In. Remarkable for a system with no local moments, the QCP is accompanied by non-Fermi liquid behavior, manifested in the logarithmic divergence of the specific heat both in the ferro-and the paramagnetic states, as well as linear temperature dependence of the low-temperature resistivity. With doping, critical scaling is observed close to the QCP, as the critical exponents δ, γ, and β have weak composition dependence, with δ nearly twice and β almost half of their respective mean-field values. The unusually large paramagnetic moment μ_{PM}∼1.3μ_{B}/F.U. is nearly composition independent. Evidence for strong spin fluctuations, accompanying the QCP at x_{c}=0.035±0.005, may be ascribed to the reduced dimensionality of Sc_{3.1}In, associated with the nearly one-dimensional Sc-In chains.

  20. A New Open-Source Nuclear Equation of State Framework based on the Liquid-Drop Model with Skyrme Interactions

    Science.gov (United States)

    da Silva Schneider, Andre; Roberts, Luke; Ott, Christian

    2017-01-01

    The equation of state (EOS) of dense matter is an essential ingredient for numerical simulations of many astrophysical phenomena. We implement a modular open-source Fortran 90 code to construct the EOS of hot dense matter for astrophysical applications. For high density matter we use a non-relativistic liquid-drop description of nuclei that includes surface effects in a single nucleus approximation (SNA). The model is based on the work of Lattimer and Swesty and has been generalized to accommodate most Skyrme parametrizations available in the literature. Low density matter is described as an ensemble of nuclei in nuclear statistical equilibrium (NSE). The transition between the SNA and NSE regimes is performed via a continuous function that smoothly blends their Helmholtz free energy. To account for the existence of 2 solar mass neutron stars, we extend the formalism to allow for a stiffening of the EOS at densities above 3 times nuclear saturation density, where the properties of matter are presently poorly constrained. We study how different Skyrme parametrizations affect the EOS, neutron star mass-radius relationships, and the spherically symmetric collapse and post-bounce supernova evolution of massive stars.